#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5l s PHE 2 N 0.00 3.57 0.48 1.12 2.19 -1.26 -5.04 117.98 119.04 2k5l s PHE 2 Ca 0.00 -1.75 -0.06 0.00 0.33 0.00 0.00 56.93 55.45 2k5l s PHE 2 Cb 0.00 -3.86 -0.04 0.00 -1.31 0.00 0.00 43.02 37.81 2k5l s PHE 2 CO 0.00 -1.05 0.80 -1.54 1.83 0.00 0.00 175.22 175.26 2k5l s SER 3 N 2.65 6.29 0.41 6.13 1.04 -1.25 -0.14 113.70 128.82 2k5l s SER 3 Ca 0.16 0.98 0.11 0.00 0.48 0.00 0.00 55.95 57.68 2k5l s SER 3 Cb -0.14 -2.27 0.87 0.00 0.10 0.00 0.00 66.02 64.58 2k5l s SER 3 CO -0.06 -0.58 1.96 0.25 0.98 0.00 0.00 173.24 175.79 2k5l h LEU 4 N 0.30 0.17 -0.68 2.42 5.85 -0.83 -2.07 115.31 120.48 2k5l h LEU 4 Ca -0.47 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.08 2k5l h LEU 4 Cb 1.20 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2k5l h LEU 4 CO 0.62 0.31 -0.56 -0.09 -0.34 0.00 0.00 178.44 178.38 2k5l h ARG 5 N 0.18 0.30 -0.08 1.25 1.12 -1.51 -3.08 114.38 112.56 2k5l h ARG 5 Ca 0.04 -0.19 -0.01 0.00 -1.11 0.00 0.00 59.98 58.71 2k5l h ARG 5 Cb 0.31 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.29 2k5l h ARG 5 CO 0.02 0.78 0.00 0.22 -3.11 0.00 0.00 179.97 177.88 2k5l h ASP 6 N 0.23 0.09 -4.33 -3.80 1.82 -1.64 -3.42 116.42 105.37 2k5l h ASP 6 Ca 0.00 -0.01 -0.51 0.00 -0.39 0.00 0.00 57.03 56.13 2k5l h ASP 6 Cb 1.05 -0.02 0.09 0.00 0.68 0.00 0.00 39.33 41.12 2k5l h ASP 6 CO 0.09 0.12 0.38 0.00 -1.61 0.00 0.00 179.24 178.22 2k5l s ALA 7 N -5.04 2.77 0.50 -0.78 0.00 -1.17 -5.03 121.76 113.01 2k5l s ALA 7 Ca -0.05 0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.03 2k5l s ALA 7 Cb 0.17 -3.16 0.05 0.00 0.00 0.00 0.00 23.12 20.18 2k5l s ALA 7 CO 0.69 -1.08 0.42 1.63 0.00 0.00 0.00 175.76 177.42 2k5l n LYS 8 N -2.97 0.75 -2.21 0.00 5.02 -1.26 -5.03 118.16 112.46 2k5l n LYS 8 Ca 0.07 -3.03 -0.38 0.00 -2.02 0.00 0.00 58.31 52.95 2k5l n LYS 8 Cb 0.54 0.24 -0.01 0.00 -0.02 0.00 0.00 35.03 35.78 2k5l n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k5l n GLY 10 N 0.60 0.79 3.89 0.00 0.00 0.72 -5.02 105.19 106.16 2k5l n GLY 10 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2k5l n GLY 10 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k5l s GLN 11 N -0.38 3.31 -0.32 1.61 -0.21 -1.20 -4.91 119.66 117.56 2k5l s GLN 11 Ca 0.00 -0.49 -0.10 0.00 0.02 0.00 0.00 55.36 54.79 2k5l s GLN 11 Cb 0.00 -2.97 -0.00 0.00 1.00 0.00 0.00 33.01 31.04 2k5l s GLN 11 CO 0.00 0.61 0.17 0.99 -2.12 0.00 0.00 175.29 174.94 2k5l s THR 12 N -1.47 4.66 -0.09 -0.19 2.01 -1.26 -2.20 115.64 117.11 2k5l s THR 12 Ca 0.33 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.87 2k5l s THR 12 Cb -0.13 -3.42 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 2k5l s THR 12 CO 0.26 0.01 -0.15 0.68 -0.69 0.00 0.00 174.62 174.72 2k5l s VAL 13 N 1.61 2.92 -0.09 3.82 -7.23 -0.38 -1.83 120.40 119.21 2k5l s VAL 13 Ca 0.04 -0.74 -0.14 0.00 -1.81 0.00 0.00 61.98 59.33 2k5l s VAL 13 Cb -0.17 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 2k5l s VAL 13 CO 0.07 0.56 0.35 -0.75 -0.31 0.00 0.00 175.10 175.01 2k5l s LYS 14 N -0.14 4.06 -0.34 4.82 2.20 0.18 0.75 119.74 131.28 2k5l s LYS 14 Ca -0.01 0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.55 2k5l s LYS 14 Cb -0.14 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.87 2k5l s LYS 14 CO 0.03 0.44 1.21 0.08 -0.36 0.00 0.00 175.35 176.76 2k5l s VAL 15 N -0.22 4.26 -0.07 4.02 1.01 -0.12 -0.75 120.40 128.54 2k5l s VAL 15 Ca 0.20 1.41 -0.03 0.00 0.00 0.00 0.00 61.98 63.57 2k5l s VAL 15 Cb -0.15 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.89 2k5l s VAL 15 CO 0.08 -0.56 -0.08 1.33 0.00 0.00 0.00 175.10 175.87 2k5l n VAL 16 N 6.22 0.38 -4.14 2.92 0.24 -1.01 -1.33 118.33 121.61 2k5l n VAL 16 Ca 0.13 -0.11 -0.15 0.00 -2.04 0.00 0.00 64.34 62.17 2k5l n VAL 16 Cb 0.47 -1.41 -0.11 0.00 -1.47 0.00 0.00 33.84 31.32 2k5l n VAL 16 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2k5l s LYS 17 N -2.13 0.74 -0.25 7.34 1.02 -0.58 -4.94 119.74 120.95 2k5l s LYS 17 Ca -0.10 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 54.93 2k5l s LYS 17 Cb 0.03 -0.57 0.07 0.00 -0.52 0.00 0.00 37.83 36.84 2k5l s LYS 17 CO 0.13 0.11 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.15 2k5l s LEU 18 N -1.92 2.50 0.00 3.17 1.43 -1.26 -0.66 118.68 121.93 2k5l s LEU 18 Ca -0.02 -1.27 0.28 0.00 -1.03 0.00 0.00 54.13 52.09 2k5l s LEU 18 Cb -0.08 -1.09 1.07 0.00 0.03 0.00 0.00 46.19 46.13 2k5l s LEU 18 CO 0.01 -0.28 1.76 1.41 0.23 0.00 0.00 176.35 179.48 2k5l n HIS 19 N 4.72 0.00 -1.29 0.29 8.25 -1.01 -4.92 115.22 121.26 2k5l n HIS 19 Ca -0.09 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.08 2k5l n HIS 19 Cb 0.44 -0.12 0.14 0.00 1.12 0.00 0.00 29.99 31.56 2k5l n HIS 19 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2k5l s GLY 20 N -2.38 1.60 1.01 -1.41 0.00 -1.26 -5.05 107.32 99.83 2k5l s GLY 20 Ca 0.30 -0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.66 2k5l s GLY 20 CO 0.46 0.32 1.23 -0.51 0.00 0.00 0.00 173.10 174.60 2k5l s THR 21 N -3.01 1.89 0.21 0.90 -4.23 -1.26 -4.62 115.64 105.52 2k5l s THR 21 Ca 0.63 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.05 2k5l s THR 21 Cb -0.17 -2.83 0.15 0.00 1.34 0.00 0.00 72.50 71.00 2k5l s THR 21 CO 0.56 0.00 1.83 1.23 -0.54 0.00 0.00 174.62 177.70 2k5l h GLY 22 N -1.83 1.04 0.86 3.99 0.00 -1.98 0.45 103.07 105.60 2k5l h GLY 22 Ca -0.45 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 2k5l h GLY 22 CO 0.42 0.23 0.05 0.00 0.00 0.00 0.00 176.54 177.24 2k5l h ALA 23 N 1.34 0.30 -0.06 3.60 0.00 -2.00 -1.18 119.26 121.26 2k5l h ALA 23 Ca 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2k5l h ALA 23 Cb 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k5l h ALA 23 CO -0.15 -0.04 0.01 -0.07 0.00 0.00 0.00 179.25 179.00 2k5l h LEU 24 N 0.18 0.09 -0.31 0.00 -0.00 -1.83 -2.89 115.31 110.54 2k5l h LEU 24 Ca 0.07 -0.23 0.06 0.00 -0.00 0.00 0.00 57.88 57.79 2k5l h LEU 24 Cb 0.29 -0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 40.87 2k5l h LEU 24 CO 0.00 0.29 -0.06 0.50 -0.00 0.00 0.00 178.44 179.17 2k5l h LYS 25 N -0.12 0.01 -0.40 1.13 3.64 -0.06 -0.66 116.57 120.12 2k5l h LYS 25 Ca 0.02 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2k5l h LYS 25 Cb 0.24 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 2k5l h LYS 25 CO 0.00 0.01 0.14 -0.09 -2.27 0.00 0.00 179.45 177.24 2k5l h ARG 26 N 0.02 0.29 -0.50 1.90 2.43 -1.21 0.13 114.38 117.44 2k5l h ARG 26 Ca 0.15 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 2k5l h ARG 26 Cb 0.22 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 2k5l h ARG 26 CO -0.31 0.19 -0.04 -0.09 -1.51 0.00 0.00 179.97 178.21 2k5l h ARG 27 N 0.30 0.91 -0.74 0.20 2.43 -1.20 0.91 114.38 117.18 2k5l h ARG 27 Ca 0.18 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 2k5l h ARG 27 Cb 0.17 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2k5l h ARG 27 CO -0.19 0.96 0.38 0.82 -1.51 0.00 0.00 179.97 180.43 2k5l h ILE 28 N 0.77 1.23 -0.02 1.20 2.04 -0.75 -2.37 117.51 119.61 2k5l h ILE 28 Ca 0.14 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.28 2k5l h ILE 28 Cb 0.57 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2k5l h ILE 28 CO 0.03 0.27 -0.45 0.24 0.00 0.00 0.00 178.15 178.24 2k5l h MET 29 N 1.03 0.05 0.00 2.37 2.86 -0.37 -2.28 114.93 118.60 2k5l h MET 29 Ca 0.26 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.82 2k5l h MET 29 Cb 0.08 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2k5l h MET 29 CO -0.04 0.49 -0.24 0.22 1.06 0.00 0.00 176.91 178.40 2k5l h ASP 30 N 0.04 0.00 0.93 1.22 1.82 -0.31 -1.91 116.42 118.21 2k5l h ASP 30 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k5l h ASP 30 Cb 0.81 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.82 2k5l h ASP 30 CO 0.06 0.24 0.00 0.23 -1.61 0.00 0.00 179.24 178.16 2k5l n MET 31 N -4.15 0.21 0.00 0.28 0.00 -0.89 -4.83 117.12 107.74 2k5l n MET 31 Ca -0.02 0.37 0.00 0.00 0.00 0.00 0.00 57.70 58.04 2k5l n MET 31 Cb 0.30 -1.85 0.00 0.00 0.00 0.00 0.00 33.22 31.67 2k5l n MET 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k5l n GLY 32 N 0.35 0.80 3.39 3.03 0.00 -0.72 -4.89 105.19 107.16 2k5l n GLY 32 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 2k5l n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k5l s ILE 33 N -2.00 5.05 0.09 -0.61 1.01 -1.04 -4.76 121.20 118.94 2k5l s ILE 33 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 60.65 58.88 2k5l s ILE 33 Cb 0.00 -4.62 0.00 0.00 0.01 0.00 0.00 42.46 37.85 2k5l s ILE 33 CO 0.00 -1.27 0.00 0.35 0.00 0.00 0.00 174.94 174.02 2k5l n THR 34 N 4.97 0.85 -3.65 2.92 -2.24 -1.26 -3.15 114.28 112.72 2k5l n THR 34 Ca 0.14 0.28 -0.04 0.00 -2.27 0.00 0.00 64.05 62.16 2k5l n THR 34 Cb 0.47 -1.48 -0.07 0.00 -2.10 0.00 0.00 70.33 67.15 2k5l n THR 34 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2k5l s ARG 35 N -2.00 0.19 0.00 -0.78 6.06 -1.26 -4.85 118.95 116.31 2k5l s ARG 35 Ca 0.00 0.24 0.00 0.00 -2.50 0.00 0.00 55.73 53.47 2k5l s ARG 35 Cb 0.00 0.08 0.00 0.00 0.06 0.00 0.00 34.95 35.09 2k5l s ARG 35 CO 0.00 -0.03 0.00 0.41 -2.50 0.00 0.00 175.30 173.18 2k5l n GLY 36 N 2.12 2.57 3.77 8.12 0.00 -0.44 -4.95 105.19 116.39 2k5l n GLY 36 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2k5l n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5l s GLU 38 N -2.10 3.84 -0.20 0.00 4.04 -1.26 -0.95 118.70 122.06 2k5l s GLU 38 Ca 0.54 -0.42 -0.05 0.00 0.04 0.00 0.00 54.97 55.08 2k5l s GLU 38 Cb -0.42 -3.08 -0.02 0.00 0.02 0.00 0.00 34.13 30.62 2k5l s GLU 38 CO 0.56 0.27 -0.01 0.42 -1.84 0.00 0.00 175.26 174.67 2k5l s ILE 39 N 0.33 3.86 -0.48 1.83 1.01 0.23 -4.90 121.20 123.09 2k5l s ILE 39 Ca 0.00 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.07 2k5l s ILE 39 Cb -0.13 -2.75 0.03 0.00 0.01 0.00 0.00 42.46 39.62 2k5l s ILE 39 CO 0.01 0.42 0.87 -0.47 0.00 0.00 0.00 174.94 175.77 2k5l s TYR 40 N 1.09 2.92 -0.33 3.97 5.04 -1.22 -1.26 117.35 127.56 2k5l s TYR 40 Ca 0.02 0.17 -0.29 0.00 -2.44 0.00 0.00 57.07 54.53 2k5l s TYR 40 Cb -0.14 -3.86 -0.01 0.00 0.35 0.00 0.00 41.96 38.29 2k5l s TYR 40 CO 0.01 -1.12 1.70 0.42 -1.34 0.00 0.00 175.55 175.23 2k5l s ILE 41 N 3.59 3.58 -0.13 3.14 1.01 -0.93 -0.36 121.20 131.10 2k5l s ILE 41 Ca 0.32 0.60 -0.24 0.00 0.00 0.00 0.00 60.65 61.33 2k5l s ILE 41 Cb -0.12 -3.75 -0.21 0.00 0.01 0.00 0.00 42.46 38.38 2k5l s ILE 41 CO 0.23 -0.46 0.62 -0.09 0.00 0.00 0.00 174.94 175.24 2k5l h ARG 42 N 12.16 0.00 -2.07 2.79 1.12 -1.33 0.21 114.38 127.26 2k5l h ARG 42 Ca -0.33 0.00 0.04 0.00 -1.11 0.00 0.00 59.98 58.59 2k5l h ARG 42 Cb 1.15 0.00 -0.21 0.00 -0.01 0.00 0.00 29.97 30.90 2k5l h ARG 42 CO 1.04 0.83 -0.12 0.21 -3.11 0.00 0.00 179.97 178.81 2k5l s LYS 43 N -2.11 0.59 -0.17 0.20 2.20 -0.53 -4.46 119.74 115.45 2k5l s LYS 43 Ca -0.16 1.34 -0.13 0.00 -0.36 0.00 0.00 55.97 56.66 2k5l s LYS 43 Cb -0.02 0.60 -0.05 0.00 -1.51 0.00 0.00 37.83 36.85 2k5l s LYS 43 CO 0.57 -0.19 0.24 0.08 -0.36 0.00 0.00 175.35 175.69 2k5l s VAL 44 N 2.49 5.34 0.40 4.02 1.01 -1.26 -0.35 120.40 132.04 2k5l s VAL 44 Ca -0.07 0.44 -0.25 0.00 0.00 0.00 0.00 61.98 62.10 2k5l s VAL 44 Cb -0.10 -3.58 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 2k5l s VAL 44 CO -0.18 0.40 1.16 0.00 0.00 0.00 0.00 175.10 176.48 2k5l s ALA 45 N 0.44 3.15 0.48 5.51 0.00 -1.19 -4.91 121.76 125.23 2k5l s ALA 45 Ca 0.14 0.95 0.41 0.00 0.00 0.00 0.00 51.96 53.46 2k5l s ALA 45 Cb -0.12 -3.37 2.11 0.00 0.00 0.00 0.00 23.12 21.73 2k5l s ALA 45 CO 0.02 -0.51 2.25 -1.00 0.00 0.00 0.00 175.76 176.52 2k5l h PRO 46 N 2.63 0.00 0.00 0.00 0.13 -1.94 0.13 132.00 132.94 2k5l h PRO 46 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2k5l h PRO 46 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2k5l h PRO 46 CO 0.62 0.00 -0.28 -0.07 -0.23 0.00 0.00 178.00 178.04 2k5l h LEU 47 N 0.00 0.00 0.00 1.56 3.38 -1.94 -3.46 115.31 114.85 2k5l h LEU 47 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k5l h LEU 47 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2k5l h LEU 47 CO 0.00 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.42 2k5l n GLY 48 N 0.08 2.07 2.94 0.83 0.00 0.44 -5.00 105.19 106.56 2k5l n GLY 48 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2k5l n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5l s ASP 49 N -1.73 0.18 0.48 1.61 2.15 -1.26 -4.16 116.67 113.93 2k5l s ASP 49 Ca 0.00 0.40 0.01 0.00 0.43 0.00 0.00 52.55 53.39 2k5l s ASP 49 Cb 0.00 0.34 0.06 0.00 -0.30 0.00 0.00 42.92 43.02 2k5l s ASP 49 CO 0.00 -0.19 0.46 -0.81 -0.17 0.00 0.00 175.17 174.45 2k5l n PRO 50 N 4.72 0.42 -4.70 4.34 -0.04 -1.26 -4.93 135.00 133.55 2k5l n PRO 50 Ca -0.17 -1.37 -0.33 0.00 -0.04 0.00 0.00 63.50 61.59 2k5l n PRO 50 Cb 0.51 -0.26 -0.13 0.00 -0.04 0.00 0.00 33.50 33.58 2k5l n PRO 50 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2k5l s ILE 51 N -1.19 3.38 -0.36 0.52 1.01 0.11 -3.20 121.20 121.47 2k5l s ILE 51 Ca 0.31 -0.57 -0.16 0.00 0.00 0.00 0.00 60.65 60.23 2k5l s ILE 51 Cb -0.02 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 40.05 2k5l s ILE 51 CO 0.21 0.56 0.39 -1.10 0.00 0.00 0.00 174.94 174.99 2k5l s GLN 52 N -0.24 3.45 -0.05 2.79 -1.52 0.52 -0.27 119.66 124.35 2k5l s GLN 52 Ca 0.02 -0.49 0.07 0.00 -1.95 0.00 0.00 55.36 53.01 2k5l s GLN 52 Cb -0.13 -3.85 -0.01 0.00 -0.22 0.00 0.00 33.01 28.80 2k5l s GLN 52 CO 0.03 -0.61 -0.25 0.96 -0.25 0.00 0.00 175.29 175.16 2k5l s ILE 53 N 2.07 2.09 -0.44 1.08 -4.36 -0.57 -0.86 121.20 120.20 2k5l s ILE 53 Ca 0.12 -1.07 -0.19 0.00 -0.26 0.00 0.00 60.65 59.25 2k5l s ILE 53 Cb -0.17 -1.74 0.03 0.00 1.25 0.00 0.00 42.46 41.83 2k5l s ILE 53 CO 0.12 0.57 0.58 0.21 0.24 0.00 0.00 174.94 176.66 2k5l s ASN 54 N -0.32 6.27 -0.02 4.36 3.84 0.51 0.39 114.94 129.97 2k5l s ASN 54 Ca 0.01 -0.53 0.03 0.00 0.21 0.00 0.00 52.86 52.58 2k5l s ASN 54 Cb -0.12 -2.28 -0.00 0.00 -0.55 0.00 0.00 41.25 38.29 2k5l s ASN 54 CO 0.02 -0.74 -0.10 -0.69 -2.79 0.00 0.00 177.10 172.81 2k5l s VAL 55 N 2.58 0.83 -1.75 -5.21 1.01 0.81 -3.46 120.40 115.21 2k5l s VAL 55 Ca 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2k5l s VAL 55 Cb -0.16 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.51 2k5l s VAL 55 CO 0.16 0.25 0.00 0.54 0.00 0.00 0.00 175.10 176.05 2k5l n ARG 56 N 3.06 -1.19 -0.94 2.72 5.12 -1.26 -1.17 116.66 123.00 2k5l n ARG 56 Ca -0.16 1.06 0.00 0.00 -1.93 0.00 0.00 57.85 56.82 2k5l n ARG 56 Cb 0.55 -5.30 0.00 0.00 -1.16 0.00 0.00 32.46 26.55 2k5l n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k5l n GLY 57 N -0.92 0.45 2.91 -0.13 0.00 -1.26 -5.04 105.19 101.21 2k5l n GLY 57 Ca -0.17 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 2k5l n GLY 57 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2k5l s TYR 58 N -2.00 0.36 -0.45 1.61 6.14 -0.32 -5.11 117.35 117.58 2k5l s TYR 58 Ca 0.00 -0.06 -0.26 0.00 0.64 0.00 0.00 57.07 57.39 2k5l s TYR 58 Cb 0.00 -0.27 0.03 0.00 0.42 0.00 0.00 41.96 42.14 2k5l s TYR 58 CO 0.00 -0.03 0.93 -1.83 0.64 0.00 0.00 175.55 175.26 2k5l s GLU 59 N 0.13 3.58 -0.07 4.97 1.03 -1.26 -0.13 118.70 126.95 2k5l s GLU 59 Ca -0.01 0.23 -0.13 0.00 0.03 0.00 0.00 54.97 55.09 2k5l s GLU 59 Cb -0.04 -3.91 -0.05 0.00 -0.80 0.00 0.00 34.13 29.33 2k5l s GLU 59 CO -0.00 -1.19 0.34 -0.51 -1.33 0.00 0.00 175.26 172.56 2k5l s LEU 60 N 3.75 4.39 -0.56 1.83 1.43 0.16 -4.80 118.68 124.89 2k5l s LEU 60 Ca 0.38 0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 53.99 2k5l s LEU 60 Cb -0.10 -2.45 0.04 0.00 0.03 0.00 0.00 46.19 43.71 2k5l s LEU 60 CO 0.26 0.27 0.97 -0.44 0.23 0.00 0.00 176.35 177.63 2k5l s SER 61 N -0.60 6.35 -0.20 2.29 0.01 -1.26 -1.51 113.70 118.77 2k5l s SER 61 Ca 0.21 -0.32 -0.06 0.00 1.31 0.00 0.00 55.95 57.08 2k5l s SER 61 Cb -0.15 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 2k5l s SER 61 CO 0.09 -1.26 0.03 -0.22 0.41 0.00 0.00 173.24 172.29 2k5l s LEU 62 N 4.06 3.47 0.65 2.44 2.96 0.63 -4.87 118.68 128.02 2k5l s LEU 62 Ca 0.31 -0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 53.97 2k5l s LEU 62 Cb -0.12 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 2k5l s LEU 62 CO 0.20 0.08 1.08 -0.13 -1.32 0.00 0.00 176.35 176.26 2k5l s ARG 63 N 0.91 2.97 0.57 1.98 0.52 -1.26 0.08 118.95 124.71 2k5l s ARG 63 Ca 0.02 1.22 0.28 0.00 -0.52 0.00 0.00 55.73 56.73 2k5l s ARG 63 Cb -0.14 -1.98 1.72 0.00 0.52 0.00 0.00 34.95 35.06 2k5l s ARG 63 CO 0.02 -1.09 2.23 1.57 0.02 0.00 0.00 175.30 178.05 2k5l h LYS 64 N -0.06 0.00 -0.14 3.54 5.09 -1.93 -0.63 116.57 122.44 2k5l h LYS 64 Ca -0.46 0.00 0.01 0.00 0.09 0.00 0.00 60.65 60.29 2k5l h LYS 64 Cb 1.23 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.55 2k5l h LYS 64 CO 0.56 0.01 0.07 0.77 -2.09 0.00 0.00 179.45 178.77 2k5l h SER 65 N 0.00 0.12 0.16 7.07 0.02 -1.92 -0.10 113.55 118.90 2k5l h SER 65 Ca -0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 2k5l h SER 65 Cb 0.03 -0.02 0.02 0.00 0.14 0.00 0.00 62.40 62.57 2k5l h SER 65 CO 0.00 0.09 -1.06 0.00 -1.14 0.00 0.00 176.83 174.72 2k5l h ALA 66 N 1.06 0.17 -0.60 3.77 0.00 -1.72 -3.18 119.26 118.77 2k5l h ALA 66 Ca 0.05 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 2k5l h ALA 66 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2k5l h ALA 66 CO -0.03 0.74 0.35 0.00 0.00 0.00 0.00 179.25 180.31 2k5l h ALA 67 N 0.49 1.49 -0.08 0.00 0.00 -0.98 0.13 119.26 120.31 2k5l h ALA 67 Ca -0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k5l h ALA 67 Cb 1.72 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2k5l h ALA 67 CO 0.20 0.44 0.00 0.39 0.00 0.00 0.00 179.25 180.28 2k5l n GLU 68 N -4.41 1.40 -0.00 0.00 -0.58 -0.06 -1.31 120.64 115.67 2k5l n GLU 68 Ca 0.06 -0.60 0.03 0.00 -0.42 0.00 0.00 57.16 56.23 2k5l n GLU 68 Cb 0.08 -1.37 -0.05 0.00 -0.57 0.00 0.00 31.44 29.53 2k5l n GLU 68 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 2k5l n MET 69 N -0.20 1.61 -3.12 3.49 1.56 0.27 -4.93 117.12 115.80 2k5l n MET 69 Ca 0.16 -0.04 -0.39 0.00 -0.27 0.00 0.00 57.70 57.16 2k5l n MET 69 Cb 0.22 -1.05 -0.05 0.00 2.15 0.00 0.00 33.22 34.48 2k5l n MET 69 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 2k5l s ILE 70 N -2.20 4.84 -0.34 1.12 1.01 -0.22 -2.40 121.20 123.00 2k5l s ILE 70 Ca -0.01 1.39 -0.14 0.00 0.00 0.00 0.00 60.65 61.88 2k5l s ILE 70 Cb 0.04 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2k5l s ILE 70 CO 0.27 0.40 0.32 -0.70 0.00 0.00 0.00 174.94 175.23 2k5l s GLU 71 N -0.16 3.55 0.49 2.79 2.56 0.16 -2.26 118.70 125.82 2k5l s GLU 71 Ca 0.34 -0.49 0.02 0.00 0.00 0.00 0.00 54.97 54.84 2k5l s GLU 71 Cb -0.19 -3.80 -0.01 0.00 2.00 0.00 0.00 34.13 32.12 2k5l s GLU 71 CO 0.19 -0.49 0.04 0.14 -0.56 0.00 0.00 175.26 174.58 2k5l s VAL 72 N 1.92 0.99 -0.03 3.70 -7.23 0.80 -1.53 120.40 119.02 2k5l s VAL 72 Ca 0.10 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 2k5l s VAL 72 Cb -0.17 -2.19 0.02 0.00 0.56 0.00 0.00 36.38 34.60 2k5l s VAL 72 CO 0.11 0.00 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.19 2k5l s GLU 73 N -3.83 0.45 -0.42 4.82 2.12 0.08 -4.64 118.70 117.27 2k5l s GLU 73 Ca 0.10 0.01 -0.28 0.00 0.36 0.00 0.00 54.97 55.15 2k5l s GLU 73 Cb 0.02 -0.56 -0.01 0.00 0.26 0.00 0.00 34.13 33.84 2k5l s GLU 73 CO 0.06 -0.10 1.68 -1.17 -0.54 0.00 0.00 175.26 175.19 2k5l s LEU 74 N 0.89 3.48 -0.29 2.70 1.98 -1.26 0.52 118.68 126.69 2k5l s LEU 74 Ca -0.10 0.93 -0.31 0.00 -2.89 0.00 0.00 54.13 51.77 2k5l s LEU 74 Cb -0.13 -3.31 -0.08 0.00 0.66 0.00 0.00 46.19 43.33 2k5l s LEU 74 CO -0.01 -1.76 2.23 1.21 -1.89 0.00 0.00 176.35 176.13 2k5l n GLU 75 N 8.49 1.54 -2.25 1.98 2.13 -0.76 -4.86 120.64 126.91 2k5l n GLU 75 Ca 0.20 0.40 -0.43 0.00 0.66 0.00 0.00 57.16 57.99 2k5l n GLU 75 Cb 0.48 -2.93 -0.02 0.00 0.27 0.00 0.00 31.44 29.24 2k5l n GLU 75 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2k5l s HIS 76 N 8.18 2.42 -0.11 4.31 -3.43 -1.26 -5.00 115.29 120.40 2k5l s HIS 76 Ca 1.05 0.68 0.01 0.00 -0.80 0.00 0.00 55.06 56.00 2k5l s HIS 76 Cb -0.54 -3.82 0.02 0.00 -1.43 0.00 0.00 32.58 26.81 2k5l s HIS 76 CO 0.40 -2.49 -0.14 -1.01 -2.00 0.00 0.00 174.74 169.50 2k5l s HIS 77 N 4.33 1.94 -1.65 0.38 3.76 -1.26 -4.71 115.29 118.08 2k5l s HIS 77 Ca 0.64 -0.92 -0.03 0.00 -0.15 0.00 0.00 55.06 54.59 2k5l s HIS 77 Cb -0.24 -1.41 0.00 0.00 1.11 0.00 0.00 32.58 32.05 2k5l s HIS 77 CO 0.24 -0.49 0.39 1.58 -0.85 0.00 0.00 174.74 175.61 2k5l n HIS 78 N 4.28 -1.63 0.00 1.40 -0.00 -1.26 -3.60 115.22 114.41 2k5l n HIS 78 Ca -0.19 0.34 0.00 0.00 0.46 0.00 0.00 57.72 58.33 2k5l n HIS 78 Cb 0.51 -4.33 0.00 0.00 -0.12 0.00 0.00 29.99 26.05 2k5l n HIS 78 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k5l n HIS 79 N -4.34 0.00 0.00 1.57 -0.00 -1.26 -3.31 115.22 107.87 2k5l n HIS 79 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 2k5l n HIS 79 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.64 2k5l n HIS 79 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k5l n HIS 80 N 0.00 0.00 -1.15 4.41 -0.00 -1.24 -4.79 115.22 112.45 2k5l n HIS 80 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2k5l n HIS 80 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2k5l n HIS 80 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38