#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfy s MET 2 N 0.00 1.54 0.19 2.12 0.00 -1.26 -5.19 119.30 116.70 2kfy s MET 2 Ca 0.00 -1.11 -0.06 0.00 0.00 0.00 0.00 55.69 54.52 2kfy s MET 2 Cb 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 34.83 35.32 2kfy s MET 2 CO 0.00 -0.66 0.25 -0.51 0.00 0.00 0.00 175.02 174.10 2kfy s LEU 3 N -2.96 1.00 0.00 0.18 1.43 -1.26 -5.18 118.68 111.89 2kfy s LEU 3 Ca 0.17 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 2kfy s LEU 3 Cb -0.02 0.94 0.00 0.00 0.03 0.00 0.00 46.19 47.15 2kfy s LEU 3 CO 0.05 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.34 2kfy n GLY 4 N -0.25 -1.70 3.67 -3.19 0.00 -1.26 -5.17 105.19 97.30 2kfy n GLY 4 Ca -0.03 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.98 -0.28 0.00 1.61 0.04 -1.26 -5.03 135.00 128.09 2kfy s PRO 5 Ca 0.00 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.17 2kfy s PRO 5 Cb 0.00 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.85 2kfy s PRO 5 CO 0.00 -3.12 0.54 0.39 0.04 0.00 0.00 177.00 174.84 2kfy n GLU 6 N -4.38 0.00 0.00 4.56 1.02 -1.26 -4.86 120.64 115.72 2kfy n GLU 6 Ca 0.10 -0.53 0.00 0.00 -0.02 0.00 0.00 57.16 56.70 2kfy n GLU 6 Cb 0.59 -0.47 0.00 0.00 -0.02 0.00 0.00 31.44 31.54 2kfy n GLU 6 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfy n GLY 7 N 0.00 0.14 3.97 0.62 0.00 -1.26 -5.15 105.19 103.52 2kfy n GLY 7 Ca 0.00 0.00 0.01 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 0.00 -0.04 0.00 -0.02 0.00 -1.26 -4.73 107.32 101.27 2kfy s GLY 8 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.62 2kfy s GLY 8 CO 0.00 4.92 0.49 1.18 0.00 0.00 0.00 173.10 179.69 2kfy n GLU 9 N -0.86 0.00 0.00 2.90 1.02 -1.26 -4.68 120.64 117.76 2kfy n GLU 9 Ca 0.02 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.67 2kfy n GLU 9 Cb 0.59 -0.46 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 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 0.00 0.72 3.71 0.62 0.00 -1.26 -4.82 105.19 104.15 2kfy n GLY 10 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -2.31 -4.17 1.61 3.72 -1.26 -4.82 117.46 110.23 2kfy n PHE 11 Ca 0.00 0.92 -0.17 0.00 -0.05 0.00 0.00 57.45 58.15 2kfy n PHE 11 Cb 0.04 -4.52 -0.12 0.00 -0.94 0.00 0.00 39.48 33.94 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 -3.42 1.03 0.05 -4.37 1.01 -1.26 -0.16 120.40 113.28 2kfy s VAL 12 Ca 0.35 -1.38 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 2kfy s VAL 12 Cb -0.17 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2kfy s VAL 12 CO 0.79 -0.32 -0.03 0.68 0.00 0.00 0.00 175.10 176.21 2kfy s VAL 13 N -1.58 0.25 0.46 2.92 -7.23 -0.62 -2.16 120.40 112.44 2kfy s VAL 13 Ca -0.01 -1.76 -0.03 0.00 -1.81 0.00 0.00 61.98 58.37 2kfy s VAL 13 Cb -0.08 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.39 2kfy s VAL 13 CO 0.02 -0.96 0.73 -0.54 -0.31 0.00 0.00 175.10 174.04 2kfy s LYS 14 N -3.75 3.36 -0.03 4.82 1.02 0.83 -0.55 119.74 125.44 2kfy s LYS 14 Ca 0.06 -0.06 0.01 0.00 0.02 0.00 0.00 55.97 56.00 2kfy s LYS 14 Cb 0.07 -2.45 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 2kfy s LYS 14 CO -0.09 -0.21 -0.03 -1.17 -0.92 0.00 0.00 175.35 172.93 2kfy s LEU 15 N -4.65 1.37 0.11 3.17 1.98 0.16 -2.79 118.68 118.02 2kfy s LEU 15 Ca 0.47 -0.09 -0.00 0.00 -2.89 0.00 0.00 54.13 51.62 2kfy s LEU 15 Cb -0.10 -0.34 -0.04 0.00 0.66 0.00 0.00 46.19 46.37 2kfy s LEU 15 CO 0.42 -0.05 0.01 -0.13 -1.89 0.00 0.00 176.35 174.71 2kfy s ARG 16 N 0.80 0.85 0.42 1.98 0.52 -0.75 -1.36 118.95 121.41 2kfy s ARG 16 Ca -0.09 -1.38 0.00 0.00 -0.52 0.00 0.00 55.73 53.74 2kfy s ARG 16 Cb -0.13 0.12 0.00 0.00 0.52 0.00 0.00 34.95 35.47 2kfy s ARG 16 CO -0.00 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.55 2kfy n GLY 17 N -0.05 0.89 0.66 -3.53 0.00 -1.26 -1.56 105.19 100.33 2kfy n GLY 17 Ca -0.09 -1.58 0.08 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.47 -1.05 0.99 4.77 -1.19 -4.15 117.00 115.90 2kfy n LEU 18 Ca 0.00 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.08 2kfy n LEU 18 Cb 0.00 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.63 2kfy n LEU 18 CO 0.00 -1.01 0.31 -0.81 -1.33 0.00 0.00 177.39 174.54 2kfy n PRO 19 N -3.10 0.58 -2.21 3.23 -0.04 -1.26 -4.70 135.00 127.50 2kfy n PRO 19 Ca -0.04 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.29 2kfy n PRO 19 Cb 0.31 -1.21 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 2kfy n PRO 19 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2kfy n TRP 20 N 0.78 -1.16 -3.71 0.54 8.01 -1.26 -4.95 117.44 115.69 2kfy n TRP 20 Ca 0.00 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.08 2kfy n TRP 20 Cb 0.29 -2.80 -0.12 0.00 -2.01 0.00 0.00 31.31 26.67 2kfy n TRP 20 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 2kfy s SER 21 N -2.05 -0.33 0.22 -0.99 0.15 -1.26 -4.75 113.70 104.70 2kfy s SER 21 Ca 0.00 0.70 -0.22 0.00 0.70 0.00 0.00 55.95 57.13 2kfy s SER 21 Cb 0.00 0.61 0.06 0.00 -1.71 0.00 0.00 66.02 64.98 2kfy s SER 21 CO 0.00 -0.18 0.92 0.00 1.20 0.00 0.00 173.24 175.18 2kfy s SER 23 N -3.09 0.95 0.36 0.00 0.01 -1.26 -5.05 113.70 105.62 2kfy s SER 23 Ca 0.15 -1.10 0.26 0.00 1.31 0.00 0.00 55.95 56.58 2kfy s SER 23 Cb -0.03 0.15 1.22 0.00 0.21 0.00 0.00 66.02 67.57 2kfy s SER 23 CO 0.05 -0.56 1.80 -0.37 0.41 0.00 0.00 173.24 174.57 2kfy h VAL 24 N 2.87 0.00 0.00 3.43 -1.51 -2.00 -2.27 116.25 116.78 2kfy h VAL 24 Ca -0.36 -0.19 -0.15 0.00 -1.23 0.00 0.00 66.70 64.78 2kfy h VAL 24 Cb 1.18 0.91 -0.02 0.00 -2.13 0.00 0.00 31.29 31.23 2kfy h VAL 24 CO 0.63 0.00 -0.93 -0.33 -1.23 0.00 0.00 177.57 175.71 2kfy h GLU 25 N 0.00 0.00 0.11 5.19 5.08 -1.99 -2.96 114.58 120.00 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 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2kfy h GLU 25 CO 0.00 0.50 -1.28 -0.44 -1.00 0.00 0.00 179.01 176.79 2kfy h ASP 26 N 0.00 0.35 -0.23 1.42 3.32 -1.83 -2.78 116.42 116.68 2kfy h ASP 26 Ca -0.07 -0.40 -0.16 0.00 0.02 0.00 0.00 57.03 56.41 2kfy h ASP 26 Cb 1.53 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.97 2kfy h ASP 26 CO 0.07 1.32 -0.50 1.62 -1.72 0.00 0.00 179.24 180.03 2kfy h VAL 27 N 0.06 1.30 0.00 -1.35 3.04 -1.63 -2.38 116.25 115.29 2kfy h VAL 27 Ca -0.14 -1.71 -0.05 0.00 -1.01 0.00 0.00 66.70 63.79 2kfy h VAL 27 Cb 1.96 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 33.03 2kfy h VAL 27 CO 0.18 0.54 -0.23 0.06 -1.01 0.00 0.00 177.57 177.11 2kfy h GLN 28 N 0.46 0.00 0.00 4.17 3.07 -1.62 -2.22 115.11 118.97 2kfy h GLN 28 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.64 2kfy h GLN 28 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.66 2kfy h GLN 28 CO 0.11 0.23 -0.47 -0.97 0.09 0.00 0.00 178.83 177.82 2kfy h ASN 29 N 0.00 0.00 1.19 0.06 -1.24 -1.29 -3.23 115.58 111.07 2kfy h ASN 29 Ca -0.00 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.87 2kfy h ASN 29 Cb 0.57 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.60 2kfy h ASN 29 CO 0.03 0.47 -0.84 0.15 -1.29 0.00 0.00 177.43 175.95 2kfy h PHE 30 N 0.00 0.00 -1.48 0.67 3.57 -0.88 -3.23 116.94 115.59 2kfy h PHE 30 Ca -0.00 0.00 -0.70 0.00 3.53 0.00 0.00 57.97 60.79 2kfy h PHE 30 Cb 0.88 0.00 -0.30 0.00 2.79 0.00 0.00 35.95 39.31 2kfy h PHE 30 CO 0.00 0.61 0.68 1.28 -2.23 0.00 0.00 178.31 178.65 2kfy n LEU 31 N -3.15 7.15 0.33 0.59 7.99 -1.09 -4.81 117.00 124.00 2kfy n LEU 31 Ca -0.02 -4.66 0.21 0.00 -0.01 0.00 0.00 56.01 51.54 2kfy n LEU 31 Cb 0.80 -0.92 1.15 0.00 -0.11 0.00 0.00 43.42 44.34 2kfy n LEU 31 CO 0.42 1.72 1.18 0.77 -1.51 0.00 0.00 177.39 179.97 2kfy h SER 32 N 2.51 0.00 1.54 -1.43 4.64 -1.59 0.51 113.55 119.73 2kfy h SER 32 Ca 0.54 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.85 2kfy h SER 32 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2kfy h SER 32 CO 1.39 0.00 -0.46 0.44 -0.87 0.00 0.00 176.83 177.33 2kfy h ASP 33 N 0.00 0.00 -4.12 4.97 3.32 -1.90 -3.47 116.42 115.22 2kfy h ASP 33 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 2kfy h ASP 33 Cb 0.03 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.68 2kfy h ASP 33 CO -0.00 0.05 0.21 0.00 -1.72 0.00 0.00 179.24 177.78 2kfy s THR 35 N -2.75 0.07 0.32 0.00 2.01 -1.26 -5.05 115.64 108.98 2kfy s THR 35 Ca 0.53 -0.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.08 2kfy s THR 35 Cb -0.02 -0.62 -0.10 0.00 0.01 0.00 0.00 72.50 71.77 2kfy s THR 35 CO 0.36 -0.19 1.23 -0.63 -0.69 0.00 0.00 174.62 174.71 2kfy s ILE 36 N 2.07 2.98 0.45 1.82 1.09 -1.26 -1.70 121.20 126.64 2kfy s ILE 36 Ca 0.02 0.97 0.27 0.00 -1.10 0.00 0.00 60.65 60.80 2kfy s ILE 36 Cb -0.16 -3.61 0.46 0.00 -1.06 0.00 0.00 42.46 38.10 2kfy s ILE 36 CO -0.08 0.22 1.73 -0.74 -0.10 0.00 0.00 174.94 175.97 2kfy h HIS 37 N 3.42 0.46 0.00 3.97 -0.00 -1.19 -3.19 115.15 118.62 2kfy h HIS 37 Ca -0.48 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 2kfy h HIS 37 Cb 1.22 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2kfy h HIS 37 CO 0.56 -0.03 0.00 -0.25 -0.00 0.00 0.00 177.93 178.22 2kfy n ASP 38 N -4.53 0.00 0.00 3.26 8.00 -1.26 -4.90 116.55 117.12 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 1.15 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.25 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 2.62 0.00 0.44 0.00 -1.21 -3.34 105.19 103.70 2kfy n GLY 39 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 46.02 45.69 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 9.72 1.73 -0.92 4.61 0.00 -1.26 -0.99 120.51 133.40 2kfy n ALA 40 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.46 2kfy n ALA 40 Cb 0.00 -1.08 0.06 0.00 0.00 0.00 0.00 19.45 18.44 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 -0.88 2.02 -0.54 0.00 0.00 -1.21 -4.63 120.51 115.28 2kfy n ALA 41 Ca 0.04 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 51.77 2kfy n ALA 41 Cb 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.80 0.10 3.81 0.00 0.00 -0.16 -4.58 105.19 103.55 2kfy n GLY 42 Ca 0.07 0.00 -0.31 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 -0.04 3.91 0.12 1.61 0.11 -1.06 -2.03 120.40 123.03 2kfy s VAL 43 Ca 0.00 0.65 -0.15 0.00 -2.93 0.00 0.00 61.98 59.55 2kfy s VAL 43 Cb 0.00 -3.33 0.03 0.00 -1.53 0.00 0.00 36.38 31.55 2kfy s VAL 43 CO 0.00 -0.78 0.37 -1.00 -3.33 0.00 0.00 175.10 170.36 2kfy s HIS 44 N -2.95 -0.15 0.27 1.54 3.76 -0.93 -4.93 115.29 111.89 2kfy s HIS 44 Ca 0.59 -0.18 -0.07 0.00 -0.15 0.00 0.00 55.06 55.25 2kfy s HIS 44 Cb -0.15 0.22 -0.01 0.00 1.11 0.00 0.00 32.58 33.75 2kfy s HIS 44 CO 0.53 -0.68 0.41 -0.06 -0.85 0.00 0.00 174.74 174.08 2kfy s PHE 45 N -3.81 0.73 -0.27 1.40 0.08 -1.26 -2.86 117.98 111.98 2kfy s PHE 45 Ca 0.03 -1.02 -0.03 0.00 0.12 0.00 0.00 56.93 56.03 2kfy s PHE 45 Cb 0.02 -0.04 0.09 0.00 -0.57 0.00 0.00 43.02 42.52 2kfy s PHE 45 CO -0.12 -0.96 0.10 0.42 -0.10 0.00 0.00 175.22 174.56 2kfy s ILE 46 N -3.77 0.37 0.19 0.64 1.01 -0.58 -4.87 121.20 114.20 2kfy s ILE 46 Ca 0.28 -0.88 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 2kfy s ILE 46 Cb 0.01 -1.19 0.03 0.00 0.01 0.00 0.00 42.46 41.32 2kfy s ILE 46 CO 0.13 -0.57 0.38 0.00 0.00 0.00 0.00 174.94 174.89 2kfy n TYR 47 N 5.08 -1.65 -4.19 3.97 4.11 -1.23 -3.64 117.16 119.61 2kfy n TYR 47 Ca -0.05 -0.93 -0.11 0.00 -0.00 0.00 0.00 57.90 56.80 2kfy n TYR 47 Cb 0.44 0.45 -0.10 0.00 -0.00 0.00 0.00 39.34 40.13 2kfy n TYR 47 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2kfy s THR 48 N -2.56 0.67 -2.00 -3.48 -4.23 -1.26 -4.64 115.64 98.15 2kfy s THR 48 Ca 0.08 -1.95 0.14 0.00 -1.18 0.00 0.00 61.69 58.79 2kfy s THR 48 Cb -0.02 -1.82 0.41 0.00 1.34 0.00 0.00 72.50 72.40 2kfy s THR 48 CO 0.06 -0.74 1.34 -2.11 -0.54 0.00 0.00 174.62 172.62 2kfy n ARG 49 N -0.10 0.68 -0.40 3.99 -4.01 -1.26 -3.15 116.66 112.40 2kfy n ARG 49 Ca -0.10 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.71 2kfy n ARG 49 Cb 0.62 -1.33 0.00 0.00 -3.04 0.00 0.00 32.46 28.70 2kfy n ARG 49 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 2kfy n GLU 50 N -0.83 0.00 0.00 2.89 0.28 -1.26 -5.10 120.64 116.62 2kfy n GLU 50 Ca 0.11 -0.47 0.00 0.00 -0.16 0.00 0.00 57.16 56.64 2kfy n GLU 50 Cb 0.05 -0.26 0.00 0.00 1.43 0.00 0.00 31.44 32.66 2kfy n GLU 50 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kfy n GLY 51 N 0.00 4.65 3.35 -1.84 0.00 -1.19 -5.19 105.19 104.97 2kfy n GLY 51 Ca 0.00 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 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 4.46 1.72 0.00 1.61 1.81 -1.26 -4.87 118.95 122.42 2kfy s ARG 52 Ca 0.00 -1.85 0.00 0.00 -1.72 0.00 0.00 55.73 52.16 2kfy s ARG 52 Cb 0.00 0.36 0.00 0.00 -0.45 0.00 0.00 34.95 34.86 2kfy s ARG 52 CO 0.00 -0.66 1.35 0.94 -0.68 0.00 0.00 175.30 176.25 2kfy n GLN 53 N -0.54 0.78 0.00 3.54 -0.06 -1.26 -4.07 117.38 115.76 2kfy n GLN 53 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.04 2kfy n GLN 53 Cb 0.63 -1.11 0.00 0.00 -4.06 0.00 0.00 30.24 25.69 2kfy n GLN 53 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 2kfy n SER 54 N 1.34 0.78 -0.45 1.69 3.41 -1.26 -4.69 113.62 114.45 2kfy n SER 54 Ca 0.00 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 2kfy n SER 54 Cb 0.39 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2kfy n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kfy n GLY 55 N 0.54 4.63 0.00 5.00 0.00 -1.24 -5.07 105.19 109.05 2kfy n GLY 55 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 3.85 -4.00 1.61 -0.58 -1.26 -4.88 120.64 115.38 2kfy n GLU 56 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 2kfy n GLU 56 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 2kfy n GLU 56 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kfy s ALA 57 N -2.22 0.13 0.18 0.62 0.00 -0.46 -1.53 121.76 118.47 2kfy s ALA 57 Ca 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.79 2kfy s ALA 57 Cb 0.00 1.03 -0.04 0.00 0.00 0.00 0.00 23.12 24.12 2kfy s ALA 57 CO 0.00 -0.85 0.13 -0.06 0.00 0.00 0.00 175.76 174.98 2kfy s PHE 58 N -3.24 0.98 -0.14 0.00 0.08 -1.14 -0.67 117.98 113.86 2kfy s PHE 58 Ca 0.25 -1.27 -0.04 0.00 0.12 0.00 0.00 56.93 55.98 2kfy s PHE 58 Cb -0.01 -0.47 0.07 0.00 -0.57 0.00 0.00 43.02 42.03 2kfy s PHE 58 CO 0.15 -0.62 0.25 0.08 -0.10 0.00 0.00 175.22 174.98 2kfy s VAL 59 N -4.10 -0.39 0.44 -0.44 1.01 0.29 -2.18 120.40 115.02 2kfy s VAL 59 Ca 0.32 0.21 -0.21 0.00 0.00 0.00 0.00 61.98 62.30 2kfy s VAL 59 Cb 0.07 -0.48 -0.10 0.00 0.00 0.00 0.00 36.38 35.87 2kfy s VAL 59 CO 0.08 0.06 0.98 -1.61 0.00 0.00 0.00 175.10 174.61 2kfy s GLU 60 N 2.40 4.14 0.14 2.72 2.02 -0.86 -1.58 118.70 127.67 2kfy s GLU 60 Ca 0.03 1.22 0.01 0.00 0.02 0.00 0.00 54.97 56.25 2kfy s GLU 60 Cb -0.13 -2.22 -0.00 0.00 0.10 0.00 0.00 34.13 31.88 2kfy s GLU 60 CO -0.09 -0.12 0.03 1.28 0.02 0.00 0.00 175.26 176.37 2kfy n LEU 61 N -0.60 0.00 -0.06 1.80 4.77 0.78 -0.98 117.00 122.70 2kfy n LEU 61 Ca 0.07 -0.98 -0.02 0.00 -0.03 0.00 0.00 56.01 55.05 2kfy n LEU 61 Cb 0.53 0.23 -0.16 0.00 -2.33 0.00 0.00 43.42 41.69 2kfy n LEU 61 CO 0.39 -0.15 -1.00 0.61 -1.33 0.00 0.00 177.39 175.91 2kfy n GLY 62 N 2.15 -0.99 3.83 -0.72 0.00 -0.69 -3.97 105.19 104.80 2kfy n GLY 62 Ca -0.04 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 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 -5.09 -0.13 0.50 1.61 0.15 -1.26 -5.02 113.70 104.46 2kfy s SER 63 Ca -0.09 -0.87 0.15 0.00 0.70 0.00 0.00 55.95 55.84 2kfy s SER 63 Cb 0.09 0.78 1.21 0.00 -1.71 0.00 0.00 66.02 66.39 2kfy s SER 63 CO 0.85 -1.51 2.13 -0.08 1.20 0.00 0.00 173.24 175.83 2kfy h GLU 64 N 2.00 0.09 0.00 5.44 4.81 -1.97 -1.86 114.58 123.09 2kfy h GLU 64 Ca -0.25 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 58.89 2kfy h GLU 64 Cb 1.25 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2kfy h GLU 64 CO 0.31 0.06 -0.40 0.22 -0.73 0.00 0.00 179.01 178.47 2kfy h ASP 65 N 0.09 0.00 0.31 1.04 3.58 -1.98 -2.05 116.42 117.42 2kfy h ASP 65 Ca 0.04 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.23 2kfy h ASP 65 Cb 0.04 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.10 2kfy h ASP 65 CO -0.01 0.40 -1.09 0.44 -2.88 0.00 0.00 179.24 176.11 2kfy h ASP 66 N 0.00 0.63 -0.31 2.28 3.32 -1.73 -2.45 116.42 118.17 2kfy h ASP 66 Ca -0.00 -0.56 -0.15 0.00 0.02 0.00 0.00 57.03 56.34 2kfy h ASP 66 Cb 0.75 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2kfy h ASP 66 CO 0.05 1.38 -0.35 1.62 -1.72 0.00 0.00 179.24 180.21 2kfy h VAL 67 N 0.23 1.28 -0.30 -1.35 3.04 -1.34 -0.79 116.25 117.02 2kfy h VAL 67 Ca -0.12 -1.52 0.00 0.00 -1.01 0.00 0.00 66.70 64.05 2kfy h VAL 67 Cb 1.75 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 32.39 2kfy h VAL 67 CO 0.19 0.50 0.19 0.11 -1.01 0.00 0.00 177.57 177.56 2kfy h LYS 68 N 0.70 0.40 0.00 4.17 1.57 -1.42 -2.65 116.57 119.34 2kfy h LYS 68 Ca 0.07 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2kfy h LYS 68 Cb 0.92 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 2kfy h LYS 68 CO 0.08 0.28 -0.29 0.52 -0.57 0.00 0.00 179.45 179.47 2kfy h MET 69 N 0.39 0.00 0.00 3.15 2.86 -1.24 -2.37 114.93 117.72 2kfy h MET 69 Ca 0.11 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.63 2kfy h MET 69 Cb -0.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2kfy h MET 69 CO -0.02 0.29 -0.54 0.00 1.06 0.00 0.00 176.91 177.69 2kfy h ALA 70 N 1.71 1.06 0.00 6.32 0.00 -0.88 -2.95 119.26 124.51 2kfy h ALA 70 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kfy h ALA 70 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kfy h ALA 70 CO 0.04 0.68 -0.05 1.28 0.00 0.00 0.00 179.25 181.20 2kfy n LEU 71 N -3.83 0.74 0.00 0.00 4.77 -0.91 -3.37 117.00 114.40 2kfy n LEU 71 Ca -0.01 0.54 0.06 0.00 -0.03 0.00 0.00 56.01 56.57 2kfy n LEU 71 Cb 0.56 -0.32 0.29 0.00 -2.33 0.00 0.00 43.42 41.63 2kfy n LEU 71 CO 0.41 -0.15 0.69 0.29 -1.33 0.00 0.00 177.39 177.29 2kfy n LYS 72 N -2.18 0.07 -1.10 3.23 4.76 -1.10 -2.80 118.16 119.04 2kfy n LYS 72 Ca 0.06 0.24 0.04 0.00 -2.87 0.00 0.00 58.31 55.77 2kfy n LYS 72 Cb 0.42 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 32.18 2kfy n LYS 72 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2kfy n LYS 73 N -1.42 0.42 0.02 1.97 0.00 -1.22 -4.94 118.16 112.99 2kfy n LYS 73 Ca 0.04 -2.19 0.00 0.00 -0.00 0.00 0.00 58.31 56.17 2kfy n LYS 73 Cb 0.13 -0.50 0.02 0.00 -0.00 0.00 0.00 35.03 34.69 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 -0.02 0.02 -0.99 -5.58 5.75 -1.12 -1.82 116.55 112.79 2kfy n ASP 74 Ca 0.09 0.20 -0.04 0.00 -0.01 0.00 0.00 54.79 55.03 2kfy n ASP 74 Cb 0.96 -0.19 -0.04 0.00 -1.03 0.00 0.00 41.12 40.82 2kfy n ASP 74 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2kfy n ARG 75 N -1.25 0.00 0.00 0.11 1.85 -1.26 -1.32 116.66 114.79 2kfy n ARG 75 Ca -0.00 -1.03 0.00 0.00 -1.00 0.00 0.00 57.85 55.82 2kfy n ARG 75 Cb 0.34 0.28 0.00 0.00 -1.05 0.00 0.00 32.46 32.03 2kfy n ARG 75 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2kfy n GLU 76 N 0.09 0.91 -3.88 2.89 -0.58 -0.76 -4.63 120.64 114.69 2kfy n GLU 76 Ca -0.16 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.47 2kfy n GLU 76 Cb 0.75 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.52 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 -1.31 0.04 0.16 1.62 0.15 -1.26 -1.52 113.70 111.57 2kfy s SER 77 Ca 0.00 -0.19 0.21 0.00 0.70 0.00 0.00 55.95 56.67 2kfy s SER 77 Cb 0.00 0.20 0.86 0.00 -1.71 0.00 0.00 66.02 65.38 2kfy s SER 77 CO 0.00 -0.33 1.65 0.23 1.20 0.00 0.00 173.24 175.99 2kfy n MET 78 N 1.62 0.13 0.00 5.44 2.81 -1.19 -4.81 117.12 121.12 2kfy n MET 78 Ca -0.22 0.32 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2kfy n MET 78 Cb 0.56 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 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 0.20 0.97 0.00 3.03 0.00 -1.26 -4.93 105.19 103.20 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 -3.75 1.61 -0.00 -1.26 -5.13 115.22 106.69 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 0.07 -0.10 0.00 -0.12 0.00 0.00 29.99 29.83 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 0.44 -0.18 1.57 6.06 -1.26 -5.13 118.95 120.45 2kfy s ARG 81 Ca 0.00 0.48 -0.29 0.00 -2.50 0.00 0.00 55.73 53.42 2kfy s ARG 81 Cb 0.00 0.21 -0.03 0.00 0.06 0.00 0.00 34.95 35.19 2kfy s ARG 81 CO 0.00 -0.06 1.56 -0.47 -2.50 0.00 0.00 175.30 173.83 2kfy s TYR 82 N 0.12 2.21 0.27 5.12 5.04 -1.26 -3.18 117.35 125.66 2kfy s TYR 82 Ca -0.01 0.54 0.10 0.00 -2.44 0.00 0.00 57.07 55.26 2kfy s TYR 82 Cb -0.03 -3.90 -0.04 0.00 0.35 0.00 0.00 41.96 38.34 2kfy s TYR 82 CO 0.01 -2.91 -0.01 0.42 -1.34 0.00 0.00 175.55 171.72 2kfy s ILE 83 N 4.66 3.45 0.06 3.14 -1.09 -0.57 -3.17 121.20 127.68 2kfy s ILE 83 Ca 0.69 -1.91 -0.09 0.00 -2.23 0.00 0.00 60.65 57.11 2kfy s ILE 83 Cb -0.26 -2.84 -0.00 0.00 -1.58 0.00 0.00 42.46 37.78 2kfy s ILE 83 CO 0.27 -0.37 0.18 -1.61 -1.23 0.00 0.00 174.94 172.18 2kfy s GLU 84 N -3.67 0.74 0.00 2.79 2.02 -0.60 -3.64 118.70 116.35 2kfy s GLU 84 Ca 0.31 -0.79 -0.04 0.00 0.02 0.00 0.00 54.97 54.47 2kfy s GLU 84 Cb -0.06 0.30 -0.00 0.00 0.10 0.00 0.00 34.13 34.46 2kfy s GLU 84 CO 0.20 -0.22 0.08 0.08 0.02 0.00 0.00 175.26 175.41 2kfy s VAL 85 N -3.13 0.08 0.02 2.63 1.01 -0.43 -1.80 120.40 118.76 2kfy s VAL 85 Ca -0.01 -0.65 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 2kfy s VAL 85 Cb 0.02 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 36.08 2kfy s VAL 85 CO -0.07 -0.35 0.27 0.12 0.00 0.00 0.00 175.10 175.06 2kfy s PHE 86 N -1.17 -0.08 0.51 5.22 2.19 -1.12 -4.62 117.98 118.91 2kfy s PHE 86 Ca -0.13 0.01 -0.20 0.00 0.33 0.00 0.00 56.93 56.94 2kfy s PHE 86 Cb -0.07 0.06 -0.07 0.00 -1.31 0.00 0.00 43.02 41.63 2kfy s PHE 86 CO 0.00 -0.43 1.12 0.21 1.83 0.00 0.00 175.22 177.95 2kfy s LYS 87 N -2.04 3.54 0.34 10.12 2.20 -1.26 -0.12 119.74 132.52 2kfy s LYS 87 Ca -0.09 1.60 0.02 0.00 -0.36 0.00 0.00 55.97 57.14 2kfy s LYS 87 Cb -0.03 -2.12 -0.01 0.00 -1.51 0.00 0.00 37.83 34.16 2kfy s LYS 87 CO -0.00 -0.69 0.38 0.45 -0.36 0.00 0.00 175.35 175.12 2kfy s SER 88 N -1.72 1.26 0.00 1.43 0.15 -0.92 -4.62 113.70 109.28 2kfy s SER 88 Ca 0.70 -1.61 0.00 0.00 0.70 0.00 0.00 55.95 55.73 2kfy s SER 88 Cb -0.23 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2kfy s SER 88 CO 0.27 -1.19 0.45 0.00 1.20 0.00 0.00 173.24 173.98 2kfy n HIS 89 N -0.59 0.00 0.00 3.44 1.44 -1.26 -4.26 115.22 113.99 2kfy n HIS 89 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 2kfy n HIS 89 Cb 0.62 0.06 0.00 0.00 0.12 0.00 0.00 29.99 30.79 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 -0.08 -1.40 0.63 -1.26 -4.36 116.66 110.19 2kfy n ARG 90 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 2kfy n ARG 90 Cb 0.54 -1.08 0.00 0.00 0.45 0.00 0.00 32.46 32.37 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 1.28 -0.38 5.15 2.02 -1.96 -2.25 112.91 116.77 2kfy h THR 91 Ca 0.00 -1.64 -0.12 0.00 0.77 0.00 0.00 66.41 65.43 2kfy h THR 91 Cb 0.00 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2kfy h THR 91 CO 0.00 0.54 -0.24 -0.08 0.37 0.00 0.00 175.52 176.11 2kfy h GLU 92 N 0.66 0.77 -0.35 6.66 4.57 -1.99 -2.74 114.58 122.17 2kfy h GLU 92 Ca 0.04 -0.32 0.04 0.00 -1.18 0.00 0.00 59.36 57.94 2kfy h GLU 92 Cb 1.03 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.55 2kfy h GLU 92 CO 0.10 0.93 0.13 1.98 -1.18 0.00 0.00 179.01 180.97 2kfy h MET 93 N 0.67 0.27 0.00 1.92 4.05 -1.87 -1.72 114.93 118.25 2kfy h MET 93 Ca 0.09 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.43 2kfy h MET 93 Cb 0.75 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 2kfy h MET 93 CO 0.06 0.18 -0.29 0.22 0.23 0.00 0.00 176.91 177.31 2kfy h ASP 94 N 0.28 0.00 1.32 1.39 3.58 -1.36 -0.32 116.42 121.31 2kfy h ASP 94 Ca 0.16 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 2kfy h ASP 94 Cb 0.12 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.17 2kfy h ASP 94 CO -0.15 0.29 -0.02 -0.25 -2.88 0.00 0.00 179.24 176.22 2kfy h TRP 95 N 0.00 0.00 0.00 0.28 7.01 -1.00 -3.31 115.95 118.92 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 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.63 2kfy h TRP 95 CO 0.00 0.02 -0.79 1.55 -2.79 0.00 0.00 178.44 176.43 2kfy n VAL 96 N -3.12 0.00 0.26 2.65 3.14 -1.06 -3.53 118.33 116.68 2kfy n VAL 96 Ca 0.02 -0.11 0.03 0.00 -2.96 0.00 0.00 64.34 61.32 2kfy n VAL 96 Cb 0.39 0.60 0.16 0.00 -1.06 0.00 0.00 33.84 33.93 2kfy n VAL 96 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2kfy n LEU 97 N -1.40 0.00 0.11 6.55 7.99 -0.15 -2.43 117.00 127.67 2kfy n LEU 97 Ca -0.00 0.46 0.09 0.00 -0.01 0.00 0.00 56.01 56.55 2kfy n LEU 97 Cb 0.01 -0.46 0.42 0.00 -0.11 0.00 0.00 43.42 43.27 2kfy n LEU 97 CO 0.01 -0.35 0.76 0.29 -1.51 0.00 0.00 177.39 176.59 2kfy n LYS 98 N -1.46 0.11 0.00 3.23 4.76 -1.26 -4.79 118.16 118.75 2kfy n LYS 98 Ca 0.02 0.51 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 2kfy n LYS 98 Cb 0.08 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.47 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 -2.03 0.00 -0.72 2.13 8.25 -1.02 -4.83 115.22 117.01 2kfy n HIS 99 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kfy n HIS 99 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 0.00 0.00 0.00 0.41 3.41 -1.05 -3.54 113.62 112.86 2kfy n SER 100 Ca 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2kfy n SER 100 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kfy n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kfy n GLY 101 N 0.00 -0.66 0.00 5.00 0.00 -1.26 -4.84 105.19 103.43 2kfy n GLY 101 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2kfy n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27