#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 0.00 2.12 1.56 -1.26 -4.92 117.12 114.62 2kfy n MET 2 Ca 0.00 -0.07 0.00 0.00 -0.27 0.00 0.00 57.70 57.36 2kfy n MET 2 Cb 0.00 -0.11 0.00 0.00 2.15 0.00 0.00 33.22 35.26 2kfy n MET 2 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 2kfy n LEU 3 N 0.00 0.16 -2.68 -0.89 7.94 -1.26 -4.91 117.00 115.36 2kfy n LEU 3 Ca 0.00 -0.16 -0.05 0.00 -1.11 0.00 0.00 56.01 54.69 2kfy n LEU 3 Cb 0.42 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.41 2kfy n LEU 3 CO 0.00 0.04 0.58 0.61 -1.11 0.00 0.00 177.39 177.51 2kfy n GLY 4 N -0.04 0.17 0.00 -3.96 0.00 -1.26 -4.95 105.19 95.16 2kfy n GLY 4 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.02 2kfy n GLY 4 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kfy n PRO 5 N -0.55 0.31 0.19 1.61 -0.04 -1.26 -2.03 135.00 133.23 2kfy n PRO 5 Ca -0.17 0.07 0.14 0.00 -0.04 0.00 0.00 63.50 63.51 2kfy n PRO 5 Cb 0.74 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.28 2kfy n PRO 5 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kfy h GLU 6 N 0.00 0.00 0.00 0.54 4.39 -2.02 -3.44 114.58 114.05 2kfy h GLU 6 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kfy h GLU 6 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2kfy h GLU 6 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2kfy n GLY 7 N -0.06 0.13 3.70 -3.84 0.00 -1.09 -4.88 105.19 99.15 2kfy n GLY 7 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.40 0.00 -0.02 0.00 -0.86 -4.07 107.32 101.97 2kfy s GLY 8 Ca 0.00 0.69 0.03 0.00 0.00 0.00 0.00 44.72 45.44 2kfy s GLY 8 CO 0.00 2.08 1.01 1.18 0.00 0.00 0.00 173.10 177.38 2kfy n GLU 9 N -0.64 0.00 -4.31 2.90 1.02 -1.06 -4.31 120.64 114.24 2kfy n GLU 9 Ca -0.05 -1.10 -0.16 0.00 -0.02 0.00 0.00 57.16 55.82 2kfy n GLU 9 Cb 0.62 -0.44 -0.10 0.00 -0.02 0.00 0.00 31.44 31.50 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 -1.10 1.69 -0.24 0.62 0.00 -0.92 -4.95 107.32 102.42 2kfy s GLY 10 Ca 0.04 -1.84 -0.02 0.00 0.00 0.00 0.00 44.72 42.89 2kfy s GLY 10 CO -0.02 -1.59 2.50 0.69 0.00 0.00 0.00 173.10 174.68 2kfy n PHE 11 N -0.45 1.00 -4.17 1.90 3.72 -1.26 -4.64 117.46 113.57 2kfy n PHE 11 Ca -0.01 -1.70 -0.17 0.00 -0.05 0.00 0.00 57.45 55.52 2kfy n PHE 11 Cb 0.66 -1.10 -0.12 0.00 -0.94 0.00 0.00 39.48 37.98 2kfy n PHE 11 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2kfy s VAL 12 N -1.28 0.95 0.06 -4.37 1.01 -1.26 -1.19 120.40 114.32 2kfy s VAL 12 Ca 0.39 -1.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 2kfy s VAL 12 Cb 0.25 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2kfy s VAL 12 CO -0.06 -0.22 -0.04 0.68 0.00 0.00 0.00 175.10 175.46 2kfy s VAL 13 N -1.21 0.34 0.38 2.92 -7.23 -0.52 -1.41 120.40 113.66 2kfy s VAL 13 Ca -0.03 -1.77 -0.03 0.00 -1.81 0.00 0.00 61.98 58.33 2kfy s VAL 13 Cb -0.09 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 2kfy s VAL 13 CO 0.02 -0.92 0.64 -0.54 -0.31 0.00 0.00 175.10 173.98 2kfy s LYS 14 N -3.69 3.56 -0.04 4.82 1.02 0.86 -0.72 119.74 125.54 2kfy s LYS 14 Ca 0.06 -0.04 -0.02 0.00 0.02 0.00 0.00 55.97 56.00 2kfy s LYS 14 Cb 0.06 -2.55 0.03 0.00 -0.52 0.00 0.00 37.83 34.85 2kfy s LYS 14 CO -0.08 0.05 0.07 -1.17 -0.92 0.00 0.00 175.35 173.30 2kfy s LEU 15 N -4.23 0.49 0.15 3.17 1.98 -0.02 -2.79 118.68 117.43 2kfy s LEU 15 Ca 0.44 0.12 0.02 0.00 -2.89 0.00 0.00 54.13 51.82 2kfy s LEU 15 Cb -0.10 -0.01 -0.04 0.00 0.66 0.00 0.00 46.19 46.69 2kfy s LEU 15 CO 0.37 -0.20 -0.03 -0.13 -1.89 0.00 0.00 176.35 174.47 2kfy s ARG 16 N 1.71 1.02 0.00 1.98 0.52 -0.46 0.02 118.95 123.75 2kfy s ARG 16 Ca -0.01 -1.46 0.00 0.00 -0.52 0.00 0.00 55.73 53.73 2kfy s ARG 16 Cb -0.12 -0.31 0.00 0.00 0.52 0.00 0.00 34.95 35.04 2kfy s ARG 16 CO -0.04 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.63 2kfy n GLY 17 N -0.18 0.24 2.96 -3.53 0.00 -1.25 -0.90 105.19 102.54 2kfy n GLY 17 Ca -0.09 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.07 2kfy n GLY 17 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kfy n LEU 18 N 0.00 -3.91 -4.61 0.99 -0.00 -1.16 -4.82 117.00 103.49 2kfy n LEU 18 Ca 0.00 0.66 -0.43 0.00 -0.00 0.00 0.00 56.01 56.24 2kfy n LEU 18 Cb 0.00 -1.46 -0.03 0.00 -0.00 0.00 0.00 43.42 41.93 2kfy n LEU 18 CO 0.00 -2.03 1.43 -2.16 -0.00 0.00 0.00 177.39 174.63 2kfy s PRO 19 N -0.44 3.51 0.00 1.47 0.04 -1.26 -3.39 135.00 134.93 2kfy s PRO 19 Ca 0.00 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2kfy s PRO 19 Cb 0.00 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2kfy s PRO 19 CO 0.00 -1.64 0.21 0.91 0.04 0.00 0.00 177.00 176.52 2kfy n TRP 20 N 9.48 0.00 -3.70 0.56 7.02 -1.26 -5.06 117.44 124.48 2kfy n TRP 20 Ca 0.21 -0.02 -0.09 0.00 -1.02 0.00 0.00 57.50 56.58 2kfy n TRP 20 Cb 0.46 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.33 2kfy n TRP 20 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2kfy s SER 21 N -0.04 -0.35 0.12 -0.99 1.04 -1.22 -4.74 113.70 107.53 2kfy s SER 21 Ca 0.00 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.00 2kfy s SER 21 Cb 0.00 0.65 0.01 0.00 0.10 0.00 0.00 66.02 66.78 2kfy s SER 21 CO 0.00 -1.15 0.22 0.00 0.98 0.00 0.00 173.24 173.28 2kfy s SER 23 N -1.69 4.90 0.49 0.00 0.01 -1.26 -5.01 113.70 111.14 2kfy s SER 23 Ca 0.07 -0.64 0.33 0.00 1.31 0.00 0.00 55.95 57.02 2kfy s SER 23 Cb -0.01 -0.86 1.64 0.00 0.21 0.00 0.00 66.02 67.00 2kfy s SER 23 CO 0.05 -0.26 2.00 -0.37 0.41 0.00 0.00 173.24 175.07 2kfy h VAL 24 N 1.50 0.00 0.00 3.43 -1.51 -1.99 -1.29 116.25 116.39 2kfy h VAL 24 Ca -0.44 -0.15 -0.10 0.00 -1.23 0.00 0.00 66.70 64.78 2kfy h VAL 24 Cb 1.25 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 2kfy h VAL 24 CO 0.61 0.00 -0.47 -0.33 -1.23 0.00 0.00 177.57 176.15 2kfy h GLU 25 N 0.00 0.00 0.21 5.19 5.08 -1.94 -2.85 114.58 120.27 2kfy h GLU 25 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 2kfy h GLU 25 Cb 0.17 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.44 2kfy h GLU 25 CO 0.00 0.47 -1.49 -0.44 -1.00 0.00 0.00 179.01 176.56 2kfy h ASP 26 N 0.00 0.71 0.01 1.42 3.32 -1.63 -2.77 116.42 117.47 2kfy h ASP 26 Ca -0.00 -0.81 -0.17 0.00 0.02 0.00 0.00 57.03 56.07 2kfy h ASP 26 Cb 1.33 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2kfy h ASP 26 CO 0.06 1.64 -0.56 1.62 -1.72 0.00 0.00 179.24 180.28 2kfy h VAL 27 N 0.12 1.32 0.00 -1.35 3.04 -1.61 -2.31 116.25 115.46 2kfy h VAL 27 Ca -0.25 -1.81 -0.08 0.00 -1.01 0.00 0.00 66.70 63.55 2kfy h VAL 27 Cb 2.12 1.78 -0.01 0.00 -2.01 0.00 0.00 31.29 33.16 2kfy h VAL 27 CO 0.24 0.56 -0.40 0.06 -1.01 0.00 0.00 177.57 177.03 2kfy h GLN 28 N 0.44 0.00 0.00 4.17 3.07 -1.61 -2.64 115.11 118.54 2kfy h GLN 28 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.65 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 0.40 -0.48 -0.97 0.09 0.00 0.00 178.83 177.98 2kfy h ASN 29 N 0.00 0.00 0.69 0.06 -1.24 -1.25 -3.27 115.58 110.57 2kfy h ASN 29 Ca -0.00 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.74 2kfy h ASN 29 Cb 0.94 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.95 2kfy h ASN 29 CO 0.05 0.48 -1.41 0.15 -1.29 0.00 0.00 177.43 175.41 2kfy h PHE 30 N 0.00 0.05 -0.34 0.67 3.57 -1.16 -3.35 116.94 116.38 2kfy h PHE 30 Ca -0.00 -0.04 -0.71 0.00 3.53 0.00 0.00 57.97 60.74 2kfy h PHE 30 Cb 0.89 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 2kfy h PHE 30 CO 0.00 1.05 3.07 1.28 -2.23 0.00 0.00 178.31 181.48 2kfy n LEU 31 N -3.22 7.42 -4.54 0.59 4.32 -1.02 -4.98 117.00 115.58 2kfy n LEU 31 Ca -0.10 -4.35 -0.41 0.00 -0.02 0.00 0.00 56.01 51.13 2kfy n LEU 31 Cb 1.01 -1.58 0.01 0.00 -1.62 0.00 0.00 43.42 41.24 2kfy n LEU 31 CO 0.46 1.48 0.33 -1.54 -1.22 0.00 0.00 177.39 176.91 2kfy n SER 32 N 4.70 0.17 0.00 -1.43 3.41 -1.26 -1.88 113.62 117.33 2kfy n SER 32 Ca 0.58 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 60.13 2kfy n SER 32 Cb 0.33 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 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 0.71 0.00 -4.20 4.04 8.00 -1.26 -4.81 116.55 119.03 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 0.40 -1.58 0.19 0.00 -0.02 0.00 0.00 41.12 40.11 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 -3.56 -0.06 0.40 0.00 2.01 -1.26 -5.09 115.64 108.08 2kfy s THR 35 Ca 0.71 -0.09 -0.25 0.00 0.31 0.00 0.00 61.69 62.37 2kfy s THR 35 Cb -0.07 -0.53 -0.09 0.00 0.01 0.00 0.00 72.50 71.82 2kfy s THR 35 CO 0.53 -0.21 1.11 -0.63 -0.69 0.00 0.00 174.62 174.74 2kfy s ILE 36 N 2.13 3.42 0.65 1.82 1.09 -1.26 -1.54 121.20 127.52 2kfy s ILE 36 Ca 0.02 1.14 0.26 0.00 -1.10 0.00 0.00 60.65 60.97 2kfy s ILE 36 Cb -0.15 -3.61 0.27 0.00 -1.06 0.00 0.00 42.46 37.90 2kfy s ILE 36 CO -0.08 0.05 1.78 -0.74 -0.10 0.00 0.00 174.94 175.85 2kfy h HIS 37 N 2.55 0.00 0.00 3.97 2.76 -1.36 -3.15 115.15 119.92 2kfy h HIS 37 Ca -0.48 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.69 2kfy h HIS 37 Cb 1.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.19 2kfy h HIS 37 CO 0.56 0.00 0.00 -0.25 -1.30 0.00 0.00 177.93 176.94 2kfy n ASP 38 N -2.94 0.00 0.00 3.26 8.00 -1.26 -4.87 116.55 118.74 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 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 2kfy n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfy n GLY 39 N 0.00 0.86 0.00 0.44 0.00 -1.19 -4.41 105.19 100.89 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 0.15 0.00 -0.97 4.61 0.00 -1.26 -4.96 120.51 118.08 2kfy n ALA 40 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2kfy n ALA 40 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 1.52 0.11 0.00 0.00 -1.26 -4.68 120.51 116.20 2kfy n ALA 41 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 53.44 52.57 2kfy n ALA 41 Cb 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.23 -0.92 3.82 0.00 0.00 -1.26 -4.78 105.19 101.81 2kfy n GLY 42 Ca 0.01 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.29 3.97 0.15 1.61 0.11 -1.26 -1.21 120.40 123.49 2kfy s VAL 43 Ca 0.04 0.71 -0.14 0.00 -2.93 0.00 0.00 61.98 59.66 2kfy s VAL 43 Cb 0.02 -3.39 0.02 0.00 -1.53 0.00 0.00 36.38 31.50 2kfy s VAL 43 CO 0.04 -0.77 0.39 -1.00 -3.33 0.00 0.00 175.10 170.42 2kfy s HIS 44 N -2.90 0.02 0.22 1.54 3.76 -0.82 -4.91 115.29 112.20 2kfy s HIS 44 Ca 0.59 -0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 55.02 2kfy s HIS 44 Cb -0.14 0.18 -0.01 0.00 1.11 0.00 0.00 32.58 33.72 2kfy s HIS 44 CO 0.50 -0.76 0.40 -0.06 -0.85 0.00 0.00 174.74 173.98 2kfy s PHE 45 N -3.88 0.42 -0.06 1.40 0.08 -1.26 -2.97 117.98 111.71 2kfy s PHE 45 Ca 0.09 -0.77 0.02 0.00 0.12 0.00 0.00 56.93 56.39 2kfy s PHE 45 Cb 0.02 0.07 0.02 0.00 -0.57 0.00 0.00 43.02 42.55 2kfy s PHE 45 CO -0.06 -0.89 -0.09 0.42 -0.10 0.00 0.00 175.22 174.50 2kfy s ILE 46 N -4.01 0.91 0.37 0.64 1.01 -1.07 -4.88 121.20 114.16 2kfy s ILE 46 Ca 0.22 -0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 2kfy s ILE 46 Cb 0.01 -0.86 0.05 0.00 0.01 0.00 0.00 42.46 41.66 2kfy s ILE 46 CO 0.07 0.31 0.69 0.00 0.00 0.00 0.00 174.94 176.01 2kfy n TYR 47 N 3.97 -2.12 -4.21 3.97 4.11 -1.26 -1.21 117.16 120.41 2kfy n TYR 47 Ca -0.23 -1.87 -0.13 0.00 -0.00 0.00 0.00 57.90 55.67 2kfy n TYR 47 Cb 0.51 0.81 -0.10 0.00 -0.00 0.00 0.00 39.34 40.56 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 -2.29 0.01 0.29 -3.48 -4.23 -1.26 -4.39 115.64 100.29 2kfy s THR 48 Ca 0.18 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.05 2kfy s THR 48 Cb -0.04 -2.50 0.38 0.00 1.34 0.00 0.00 72.50 71.68 2kfy s THR 48 CO 0.13 0.00 2.11 0.08 -0.54 0.00 0.00 174.62 176.40 2kfy h ARG 49 N 2.59 0.00 -0.00 3.99 -0.00 -1.96 -2.31 114.38 116.68 2kfy h ARG 49 Ca -0.35 0.00 -0.06 0.00 -0.00 0.00 0.00 59.98 59.56 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 0.52 0.00 -0.30 1.49 -0.00 0.00 0.00 179.97 181.69 2kfy h GLU 50 N 0.00 0.00 -0.53 0.08 4.81 -1.97 -3.48 114.58 113.50 2kfy h GLU 50 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kfy h GLU 50 Cb 0.16 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2kfy h GLU 50 CO 0.00 0.30 0.00 0.41 -0.73 0.00 0.00 179.01 178.99 2kfy n GLY 51 N -0.68 0.85 1.11 1.92 0.00 -0.87 -5.01 105.19 102.50 2kfy n GLY 51 Ca -0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 46.02 45.73 2kfy n GLY 51 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kfy n ARG 52 N -0.26 0.00 -0.12 1.61 -4.01 -1.26 -5.07 116.66 107.55 2kfy n ARG 52 Ca 0.00 -1.37 0.02 0.00 -1.04 0.00 0.00 57.85 55.45 2kfy n ARG 52 Cb 0.21 0.06 -0.00 0.00 -3.04 0.00 0.00 32.46 29.68 2kfy n ARG 52 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 2kfy n GLN 53 N 0.23 -0.24 0.00 2.89 1.13 -1.26 -4.71 117.38 115.42 2kfy n GLN 53 Ca -0.05 0.16 0.00 0.00 -1.94 0.00 0.00 57.00 55.17 2kfy n GLN 53 Cb 0.89 -0.29 0.00 0.00 0.11 0.00 0.00 30.24 30.95 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 -3.43 0.35 0.00 1.08 7.64 -0.35 -4.39 113.62 114.52 2kfy n SER 54 Ca 0.00 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.46 2kfy n SER 54 Cb 0.05 0.91 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 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 1.02 1.26 0.77 0.23 0.00 -1.26 -5.04 105.19 102.16 2kfy n GLY 55 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2kfy n GLY 55 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kfy n GLU 56 N 0.00 0.22 -2.81 1.61 0.00 -1.26 -3.79 120.64 114.61 2kfy n GLU 56 Ca 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 57.16 56.60 2kfy n GLU 56 Cb 0.00 0.58 0.00 0.00 0.00 0.00 0.00 31.44 32.02 2kfy n GLU 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kfy n ALA 57 N -2.50 -0.65 -2.18 -1.84 0.00 0.10 -2.61 120.51 110.84 2kfy n ALA 57 Ca -0.03 -0.85 -0.11 0.00 0.00 0.00 0.00 53.44 52.44 2kfy n ALA 57 Cb 0.12 0.68 -0.10 0.00 0.00 0.00 0.00 19.45 20.16 2kfy n ALA 57 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2kfy s PHE 58 N -4.41 1.05 -0.12 0.00 0.08 -1.16 -0.84 117.98 112.59 2kfy s PHE 58 Ca 0.13 -1.29 -0.05 0.00 0.12 0.00 0.00 56.93 55.84 2kfy s PHE 58 Cb -0.02 -0.55 0.06 0.00 -0.57 0.00 0.00 43.02 41.94 2kfy s PHE 58 CO 0.10 -0.56 0.26 0.08 -0.10 0.00 0.00 175.22 175.00 2kfy s VAL 59 N -4.07 -0.24 0.34 -0.44 1.01 0.10 -1.95 120.40 115.15 2kfy s VAL 59 Ca 0.32 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.36 2kfy s VAL 59 Cb 0.07 -0.42 -0.09 0.00 0.00 0.00 0.00 36.38 35.94 2kfy s VAL 59 CO 0.07 0.09 0.77 -1.61 0.00 0.00 0.00 175.10 174.42 2kfy s GLU 60 N 1.87 4.03 0.18 2.72 2.02 -0.35 -1.43 118.70 127.75 2kfy s GLU 60 Ca -0.04 0.73 0.01 0.00 0.02 0.00 0.00 54.97 55.70 2kfy s GLU 60 Cb -0.11 -2.39 -0.00 0.00 0.10 0.00 0.00 34.13 31.72 2kfy s GLU 60 CO -0.09 0.13 0.04 1.28 0.02 0.00 0.00 175.26 176.65 2kfy n LEU 61 N -0.41 0.00 -0.11 1.80 4.77 -0.33 -1.40 117.00 121.32 2kfy n LEU 61 Ca 0.04 -1.31 -0.13 0.00 -0.03 0.00 0.00 56.01 54.58 2kfy n LEU 61 Cb 0.53 0.35 -0.14 0.00 -2.33 0.00 0.00 43.42 41.83 2kfy n LEU 61 CO 0.41 -0.20 -1.20 0.61 -1.33 0.00 0.00 177.39 175.68 2kfy n GLY 62 N 1.46 -0.75 3.58 -0.72 0.00 -0.59 -3.98 105.19 104.19 2kfy n GLY 62 Ca -0.04 -0.26 -0.10 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 -5.94 -0.00 0.53 1.61 0.01 -1.26 -5.03 113.70 103.61 2kfy s SER 63 Ca -0.20 -0.99 0.18 0.00 1.31 0.00 0.00 55.95 56.25 2kfy s SER 63 Cb 0.07 0.59 1.32 0.00 0.21 0.00 0.00 66.02 68.22 2kfy s SER 63 CO 0.74 -1.16 2.15 -0.08 0.41 0.00 0.00 173.24 175.30 2kfy h GLU 64 N 2.25 0.00 0.00 12.44 4.81 -1.94 -1.57 114.58 130.57 2kfy h GLU 64 Ca -0.27 0.00 -0.06 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 0.36 0.00 -0.29 0.22 -0.73 0.00 0.00 179.01 178.57 2kfy h ASP 65 N 0.00 0.00 0.50 1.04 3.58 -2.00 -2.24 116.42 117.31 2kfy h ASP 65 Ca 0.02 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.17 2kfy h ASP 65 Cb 0.07 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.14 2kfy h ASP 65 CO -0.00 0.29 -1.34 0.44 -2.88 0.00 0.00 179.24 175.75 2kfy h ASP 66 N 0.00 0.57 -0.35 2.28 3.32 -1.65 -2.64 116.42 117.95 2kfy h ASP 66 Ca -0.00 -0.61 -0.14 0.00 0.02 0.00 0.00 57.03 56.29 2kfy h ASP 66 Cb 0.68 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 2kfy h ASP 66 CO 0.04 1.48 -0.30 1.62 -1.72 0.00 0.00 179.24 180.36 2kfy h VAL 67 N 0.10 1.27 -0.38 -1.35 3.04 -1.36 -0.92 116.25 116.66 2kfy h VAL 67 Ca -0.18 -1.46 -0.00 0.00 -1.01 0.00 0.00 66.70 64.04 2kfy h VAL 67 Cb 2.04 1.29 -0.02 0.00 -2.01 0.00 0.00 31.29 32.59 2kfy h VAL 67 CO 0.23 0.49 0.22 0.11 -1.01 0.00 0.00 177.57 177.61 2kfy h LYS 68 N 0.74 0.52 0.00 4.17 1.57 -1.47 -2.65 116.57 119.44 2kfy h LYS 68 Ca 0.08 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2kfy h LYS 68 Cb 0.86 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2kfy h LYS 68 CO 0.08 0.40 -0.28 0.52 -0.57 0.00 0.00 179.45 179.59 2kfy h MET 69 N 0.49 0.00 0.00 3.15 2.86 -1.27 -2.30 114.93 117.86 2kfy h MET 69 Ca 0.13 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.66 2kfy h MET 69 Cb 0.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2kfy h MET 69 CO -0.02 0.28 -0.54 0.00 1.06 0.00 0.00 176.91 177.69 2kfy h ALA 70 N 1.72 1.06 0.00 6.32 0.00 -0.90 -2.92 119.26 124.54 2kfy h ALA 70 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2kfy h ALA 70 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2kfy h ALA 70 CO 0.04 0.67 -0.02 1.28 0.00 0.00 0.00 179.25 181.22 2kfy n LEU 71 N -3.83 0.51 0.00 0.00 4.77 -0.88 -3.40 117.00 114.17 2kfy n LEU 71 Ca -0.01 0.53 0.08 0.00 -0.03 0.00 0.00 56.01 56.58 2kfy n LEU 71 Cb 0.56 -0.38 0.40 0.00 -2.33 0.00 0.00 43.42 41.67 2kfy n LEU 71 CO 0.41 -0.11 0.72 0.29 -1.33 0.00 0.00 177.39 177.37 2kfy n LYS 72 N -1.97 0.23 -0.79 3.23 4.76 -1.10 -2.75 118.16 119.77 2kfy n LYS 72 Ca 0.06 0.13 0.04 0.00 -2.87 0.00 0.00 58.31 55.67 2kfy n LYS 72 Cb 0.40 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 32.16 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 -1.28 0.52 0.03 1.97 0.00 -1.22 -4.93 118.16 113.25 2kfy n LYS 73 Ca 0.08 -2.05 0.01 0.00 -0.00 0.00 0.00 58.31 56.35 2kfy n LYS 73 Cb 0.12 -0.71 0.03 0.00 -0.00 0.00 0.00 35.03 34.48 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 -0.28 0.03 -1.14 -5.58 5.75 -1.11 -1.63 116.55 112.60 2kfy n ASP 74 Ca 0.08 0.22 -0.03 0.00 -0.01 0.00 0.00 54.79 55.05 2kfy n ASP 74 Cb 0.84 -0.19 -0.03 0.00 -1.03 0.00 0.00 41.12 40.71 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 -1.30 0.00 0.00 0.11 0.63 -1.26 -1.93 116.66 112.91 2kfy n ARG 75 Ca -0.00 -1.30 0.00 0.00 -0.92 0.00 0.00 57.85 55.63 2kfy n ARG 75 Cb 0.36 0.28 0.00 0.00 0.45 0.00 0.00 32.46 33.55 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 0.17 -0.59 0.00 -0.14 -0.58 -0.64 -4.48 120.64 114.38 2kfy n GLU 76 Ca -0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 2kfy n GLU 76 Cb 0.84 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.71 2kfy n GLU 76 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2kfy n SER 77 N -1.93 0.10 0.00 1.62 7.64 -1.26 -0.04 113.62 119.75 2kfy n SER 77 Ca 0.00 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.84 2kfy n SER 77 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2kfy n SER 77 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2kfy n MET 78 N -0.02 -0.71 0.00 1.43 2.81 -1.26 -0.49 117.12 118.87 2kfy n MET 78 Ca 0.00 0.11 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 2kfy n MET 78 Cb 0.38 -3.43 0.00 0.00 -0.71 0.00 0.00 33.22 29.46 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 -0.30 2.06 0.00 3.03 0.00 -1.26 -4.87 105.19 103.85 2kfy n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.08 0.00 0.00 1.61 8.25 -0.56 -5.13 115.22 118.31 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 0.00 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 -3.54 -0.41 3.00 0.36 -5.13 116.66 110.94 2kfy n ARG 81 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2kfy n ARG 81 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.81 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 3.41 -0.96 0.37 -0.14 5.04 -1.26 -4.55 117.35 119.26 2kfy s TYR 82 Ca 0.00 1.70 0.06 0.00 -2.44 0.00 0.00 57.07 56.39 2kfy s TYR 82 Cb 0.00 0.58 -0.07 0.00 0.35 0.00 0.00 41.96 42.82 2kfy s TYR 82 CO 0.00 -0.48 0.03 0.42 -1.34 0.00 0.00 175.55 174.18 2kfy s ILE 83 N 2.50 1.63 -0.05 3.14 -1.09 0.94 -2.99 121.20 125.27 2kfy s ILE 83 Ca -0.05 -2.01 -0.11 0.00 -2.23 0.00 0.00 60.65 56.25 2kfy s ILE 83 Cb -0.08 -2.89 0.02 0.00 -1.58 0.00 0.00 42.46 37.93 2kfy s ILE 83 CO -0.18 -0.01 0.27 -1.61 -1.23 0.00 0.00 174.94 172.17 2kfy s GLU 84 N -3.79 0.48 -0.08 2.79 2.02 -0.08 -4.03 118.70 116.02 2kfy s GLU 84 Ca 0.36 0.03 -0.03 0.00 0.02 0.00 0.00 54.97 55.35 2kfy s GLU 84 Cb 0.09 0.22 0.04 0.00 0.10 0.00 0.00 34.13 34.58 2kfy s GLU 84 CO 0.17 -0.11 0.16 0.08 0.02 0.00 0.00 175.26 175.59 2kfy s VAL 85 N -0.67 -0.15 0.08 2.63 1.01 -0.81 -1.35 120.40 121.13 2kfy s VAL 85 Ca -0.08 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2kfy s VAL 85 Cb -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 2kfy s VAL 85 CO 0.02 0.11 -0.10 0.12 0.00 0.00 0.00 175.10 175.24 2kfy s PHE 86 N 1.69 1.02 0.63 5.22 2.19 -1.12 -4.48 117.98 123.15 2kfy s PHE 86 Ca -0.04 -0.60 -0.15 0.00 0.33 0.00 0.00 56.93 56.47 2kfy s PHE 86 Cb -0.12 -0.57 -0.01 0.00 -1.31 0.00 0.00 43.02 41.01 2kfy s PHE 86 CO -0.06 -0.01 1.09 0.21 1.83 0.00 0.00 175.22 178.28 2kfy s LYS 87 N -2.43 3.01 0.29 10.12 2.20 -1.26 -0.10 119.74 131.56 2kfy s LYS 87 Ca 0.02 1.31 0.05 0.00 -0.36 0.00 0.00 55.97 56.98 2kfy s LYS 87 Cb -0.05 -1.98 -0.02 0.00 -1.51 0.00 0.00 37.83 34.27 2kfy s LYS 87 CO 0.00 -1.07 0.28 0.45 -0.36 0.00 0.00 175.35 174.65 2kfy n SER 88 N -2.29 -0.74 0.00 1.43 2.88 -0.50 -4.38 113.62 110.02 2kfy n SER 88 Ca 0.10 -2.80 0.00 0.00 -1.33 0.00 0.00 58.87 54.83 2kfy n SER 88 Cb 0.52 1.60 0.00 0.00 -0.75 0.00 0.00 64.21 65.58 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 -0.53 0.00 0.00 0.66 1.44 -1.26 -2.17 115.22 113.36 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 0.51 0.04 0.00 0.00 0.12 0.00 0.00 29.99 30.66 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 -0.10 -1.40 0.63 -1.26 -4.71 116.66 109.82 2kfy n ARG 90 Ca 0.00 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.79 2kfy n ARG 90 Cb 0.48 -0.93 -0.03 0.00 0.45 0.00 0.00 32.46 32.43 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 -0.35 5.15 2.02 -1.99 -2.09 112.91 116.93 2kfy h THR 91 Ca 0.00 -1.64 -0.11 0.00 0.77 0.00 0.00 66.41 65.43 2kfy h THR 91 Cb 0.00 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 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 0.69 0.68 -0.25 6.66 4.81 -1.98 -1.78 114.58 123.42 2kfy h GLU 92 Ca 0.04 -0.27 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 2kfy h GLU 92 Cb 1.07 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2kfy h GLU 92 CO 0.11 0.86 0.09 1.98 -0.73 0.00 0.00 179.01 181.32 2kfy h MET 93 N 0.60 0.21 -0.03 1.92 4.05 -1.89 -2.05 114.93 117.74 2kfy h MET 93 Ca 0.08 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.40 2kfy h MET 93 Cb 0.72 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 2kfy h MET 93 CO 0.06 0.14 -0.40 0.22 0.23 0.00 0.00 176.91 177.16 2kfy h ASP 94 N 0.21 0.06 0.73 1.39 3.58 -1.28 -0.97 116.42 120.15 2kfy h ASP 94 Ca 0.11 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 2kfy h ASP 94 Cb 0.06 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 2kfy h ASP 94 CO -0.10 0.46 -0.02 -0.25 -2.88 0.00 0.00 179.24 176.45 2kfy h TRP 95 N 0.05 0.00 0.00 0.28 7.01 -0.59 -3.23 115.95 119.47 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 0.73 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.79 2kfy h TRP 95 CO 0.00 0.02 -0.99 1.55 -2.79 0.00 0.00 178.44 176.23 2kfy n VAL 96 N -3.13 0.00 0.53 2.65 3.14 -1.08 -4.24 118.33 116.20 2kfy n VAL 96 Ca -0.00 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.44 2kfy n VAL 96 Cb 0.25 0.48 0.29 0.00 -1.06 0.00 0.00 33.84 33.81 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 -1.50 0.00 0.00 6.55 7.99 -0.38 -1.78 117.00 127.88 2kfy n LEU 97 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 56.01 56.36 2kfy n LEU 97 Cb 0.00 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 42.95 2kfy n LEU 97 CO 0.00 -0.21 0.33 0.29 -1.51 0.00 0.00 177.39 176.29 2kfy n LYS 98 N -1.36 1.11 -0.49 3.23 4.76 -1.22 -4.73 118.16 119.45 2kfy n LYS 98 Ca 0.05 -0.87 0.00 0.00 -2.87 0.00 0.00 58.31 54.62 2kfy n LYS 98 Cb 0.11 -0.80 0.00 0.00 -1.84 0.00 0.00 35.03 32.50 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 -0.21 0.00 0.15 2.13 8.25 -1.10 -4.89 115.22 119.54 2kfy n HIS 99 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 2kfy n HIS 99 Cb 0.28 -0.01 0.37 0.00 1.12 0.00 0.00 29.99 31.75 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 0.36 -3.43 0.41 3.41 -0.73 -4.82 113.62 108.81 2kfy n SER 100 Ca 0.00 0.65 0.02 0.00 -0.26 0.00 0.00 58.87 59.28 2kfy n SER 100 Cb 0.67 -0.71 0.01 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.19 0.33 0.00 5.00 0.00 -1.26 -4.63 105.19 103.44 2kfy n GLY 101 Ca -0.00 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2kfy n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27