#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 3.33 0.39 3.17 5.36 -1.26 -4.87 117.98 124.10 2k5l s PHE 2 Ca 0.00 -3.08 0.01 0.00 -0.96 0.00 0.00 56.93 52.90 2k5l s PHE 2 Cb 0.00 -2.93 0.01 0.00 -0.34 0.00 0.00 43.02 39.76 2k5l s PHE 2 CO 0.00 -0.74 0.06 -1.13 -1.46 0.00 0.00 175.22 171.95 2k5l n SER 3 N 2.98 2.93 0.27 6.13 3.41 -1.26 -3.57 113.62 124.51 2k5l n SER 3 Ca 0.09 -2.65 0.18 0.00 -0.26 0.00 0.00 58.87 56.23 2k5l n SER 3 Cb 0.34 0.21 0.82 0.00 -0.26 0.00 0.00 64.21 65.33 2k5l n SER 3 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2k5l h LEU 4 N 0.00 0.00 -0.68 1.04 5.85 -0.81 -1.27 115.31 119.44 2k5l h LEU 4 Ca -0.31 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.27 2k5l h LEU 4 Cb 0.97 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 2k5l h LEU 4 CO 0.51 0.00 -0.47 -0.09 -0.34 0.00 0.00 178.44 178.05 2k5l h ARG 5 N 0.00 0.47 0.00 1.25 9.65 -1.79 -3.24 114.38 120.72 2k5l h ARG 5 Ca 0.00 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 2k5l h ARG 5 Cb 0.29 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 2k5l h ARG 5 CO 0.00 0.84 -0.80 -0.44 2.80 0.00 0.00 179.97 182.37 2k5l h ASP 6 N 0.37 0.00 -4.24 -3.80 3.32 -1.58 -3.47 116.42 107.02 2k5l h ASP 6 Ca 0.02 -0.08 -0.46 0.00 0.02 0.00 0.00 57.03 56.54 2k5l h ASP 6 Cb 0.96 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.65 2k5l h ASP 6 CO 0.08 0.04 0.32 0.00 -1.72 0.00 0.00 179.24 177.96 2k5l s ALA 7 N -3.28 1.89 0.30 3.45 0.00 -0.99 -4.97 121.76 118.16 2k5l s ALA 7 Ca 0.02 -0.63 0.11 0.00 0.00 0.00 0.00 51.96 51.47 2k5l s ALA 7 Cb 0.11 -2.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.18 2k5l s ALA 7 CO 0.76 -2.27 -0.14 0.15 0.00 0.00 0.00 175.76 174.25 2k5l s LYS 8 N -5.39 1.79 0.44 0.00 -0.14 -1.26 -5.02 119.74 110.16 2k5l s LYS 8 Ca 0.65 -1.77 -0.23 0.00 -1.36 0.00 0.00 55.97 53.26 2k5l s LYS 8 Cb -0.13 -1.80 -0.08 0.00 -1.68 0.00 0.00 37.83 34.13 2k5l s LYS 8 CO 0.53 0.28 1.08 0.00 -0.76 0.00 0.00 175.35 176.48 2k5l n GLY 10 N 0.25 1.87 3.93 0.00 0.00 0.14 -5.00 105.19 106.38 2k5l n GLY 10 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.74 3.51 -0.19 1.61 -0.21 -1.18 -4.93 119.66 117.53 2k5l s GLN 11 Ca 0.00 -0.27 0.01 0.00 0.02 0.00 0.00 55.36 55.11 2k5l s GLN 11 Cb 0.00 -2.66 0.02 0.00 1.00 0.00 0.00 33.01 31.37 2k5l s GLN 11 CO 0.00 0.16 -0.18 0.99 -2.12 0.00 0.00 175.29 174.14 2k5l s THR 12 N -2.27 2.21 0.42 -0.19 2.01 -1.26 -2.04 115.64 114.51 2k5l s THR 12 Ca 0.41 -0.91 0.06 0.00 0.31 0.00 0.00 61.69 61.55 2k5l s THR 12 Cb -0.10 -1.94 -0.07 0.00 0.01 0.00 0.00 72.50 70.40 2k5l s THR 12 CO 0.35 0.51 0.01 0.68 -0.69 0.00 0.00 174.62 175.49 2k5l s VAL 13 N 1.31 1.76 -0.04 3.82 -7.23 -0.31 -2.16 120.40 117.55 2k5l s VAL 13 Ca 0.05 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.25 2k5l s VAL 13 Cb -0.13 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 33.99 2k5l s VAL 13 CO -0.12 0.00 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.80 2k5l s LYS 14 N -3.75 1.34 -0.24 4.82 2.20 -0.60 0.86 119.74 124.37 2k5l s LYS 14 Ca 0.29 -0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 55.18 2k5l s LYS 14 Cb 0.08 -1.20 -0.00 0.00 -1.51 0.00 0.00 37.83 35.20 2k5l s LYS 14 CO 0.15 0.15 1.27 0.08 -0.36 0.00 0.00 175.35 176.65 2k5l s VAL 15 N 0.19 4.23 -0.08 4.02 1.01 -0.50 -2.36 120.40 126.89 2k5l s VAL 15 Ca -0.04 1.43 0.08 0.00 0.00 0.00 0.00 61.98 63.45 2k5l s VAL 15 Cb -0.10 -4.10 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 2k5l s VAL 15 CO 0.01 -0.32 0.04 1.33 0.00 0.00 0.00 175.10 176.16 2k5l n VAL 16 N 5.81 0.58 -3.84 2.92 0.24 0.18 0.18 118.33 124.41 2k5l n VAL 16 Ca 0.14 -0.37 -0.12 0.00 -2.04 0.00 0.00 64.34 61.95 2k5l n VAL 16 Cb 0.46 -0.73 -0.14 0.00 -1.47 0.00 0.00 33.84 31.96 2k5l n VAL 16 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2k5l s LYS 17 N -2.23 0.07 -0.31 7.34 2.20 -1.14 -4.80 119.74 120.87 2k5l s LYS 17 Ca -0.04 0.10 -0.07 0.00 -0.36 0.00 0.00 55.97 55.59 2k5l s LYS 17 Cb 0.03 0.02 0.02 0.00 -1.51 0.00 0.00 37.83 36.38 2k5l s LYS 17 CO 0.36 -0.02 0.10 -0.51 -0.36 0.00 0.00 175.35 174.92 2k5l s LEU 18 N 0.10 4.03 0.59 5.43 1.43 -1.26 -1.08 118.68 127.92 2k5l s LEU 18 Ca -0.01 -0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 52.27 2k5l s LEU 18 Cb -0.01 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.35 2k5l s LEU 18 CO -0.00 -0.23 0.85 -1.00 0.23 0.00 0.00 176.35 176.20 2k5l s HIS 19 N 1.49 2.95 0.00 0.29 3.76 0.89 -4.99 115.29 119.68 2k5l s HIS 19 Ca 0.02 0.21 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 2k5l s HIS 19 Cb -0.18 -2.85 0.00 0.00 1.11 0.00 0.00 32.58 30.66 2k5l s HIS 19 CO 0.03 -0.99 0.00 0.41 -0.85 0.00 0.00 174.74 173.34 2k5l n GLY 20 N -2.52 1.73 0.00 -2.22 0.00 -1.26 -4.22 105.19 96.69 2k5l n GLY 20 Ca 0.07 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2k5l n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k5l n THR 21 N -0.54 0.00 0.11 2.61 -2.24 -1.26 -4.84 114.28 108.12 2k5l n THR 21 Ca 0.00 0.24 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 2k5l n THR 21 Cb 0.00 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 2k5l n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k5l n GLY 22 N 1.87 -0.70 0.27 3.38 0.00 -1.26 -4.83 105.19 103.93 2k5l n GLY 22 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.16 2k5l n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k5l h ALA 23 N 0.00 1.61 0.04 4.61 0.00 -1.98 -1.07 119.26 122.46 2k5l h ALA 23 Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k5l h ALA 23 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2k5l h ALA 23 CO 0.00 0.30 -0.02 -0.07 0.00 0.00 0.00 179.25 179.46 2k5l h LEU 24 N 0.36 -0.05 0.11 0.00 -0.00 -1.91 0.78 115.31 114.60 2k5l h LEU 24 Ca 0.09 -0.15 0.01 0.00 -0.00 0.00 0.00 57.88 57.83 2k5l h LEU 24 Cb 0.17 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 40.82 2k5l h LEU 24 CO -0.00 0.12 -0.20 0.11 -0.00 0.00 0.00 178.44 178.48 2k5l h LYS 25 N -0.22 -0.36 -0.29 1.13 1.57 -1.60 -2.43 116.57 114.36 2k5l h LYS 25 Ca -0.01 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2k5l h LYS 25 Cb 0.20 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2k5l h LYS 25 CO 0.01 -0.24 -0.12 0.00 -0.57 0.00 0.00 179.45 178.53 2k5l h ARG 26 N -0.38 0.49 -0.76 3.15 3.08 -1.19 0.19 114.38 118.95 2k5l h ARG 26 Ca 0.03 -0.14 0.07 0.00 0.07 0.00 0.00 59.98 60.01 2k5l h ARG 26 Cb 0.40 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.33 2k5l h ARG 26 CO -0.11 0.60 0.44 -0.09 -1.07 0.00 0.00 179.97 179.75 2k5l h ARG 27 N 0.45 0.77 0.03 0.04 9.65 -0.56 0.08 114.38 124.84 2k5l h ARG 27 Ca 0.09 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.92 2k5l h ARG 27 Cb 0.48 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 2k5l h ARG 27 CO 0.03 0.51 -0.02 0.82 2.80 0.00 0.00 179.97 184.11 2k5l h ILE 28 N 0.79 1.30 -0.04 1.20 2.04 -0.89 -3.35 117.51 118.57 2k5l h ILE 28 Ca 0.35 -1.75 -0.05 0.00 1.00 0.00 0.00 64.86 64.41 2k5l h ILE 28 Cb 0.23 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2k5l h ILE 28 CO -0.20 0.40 -0.20 0.00 0.00 0.00 0.00 178.15 178.16 2k5l h MET 29 N -0.90 0.06 0.00 2.37 -0.00 -0.61 -0.84 114.93 115.00 2k5l h MET 29 Ca -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.70 59.68 2k5l h MET 29 Cb 0.70 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.29 2k5l h MET 29 CO 0.01 0.26 -0.01 0.22 -0.00 0.00 0.00 176.91 177.38 2k5l h ASP 30 N 0.05 0.00 -0.25 -0.10 1.82 -1.10 -0.14 116.42 116.71 2k5l h ASP 30 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2k5l h ASP 30 Cb 0.38 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.39 2k5l h ASP 30 CO 0.03 0.01 0.00 0.23 -1.61 0.00 0.00 179.24 177.90 2k5l n MET 31 N -3.31 1.75 0.00 0.28 2.81 -0.33 -4.85 117.12 113.48 2k5l n MET 31 Ca -0.02 -1.15 0.00 0.00 -1.81 0.00 0.00 57.70 54.72 2k5l n MET 31 Cb 0.12 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 2k5l n MET 31 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k5l n GLY 32 N 1.09 0.64 3.08 3.03 0.00 -0.08 -5.00 105.19 107.95 2k5l n GLY 32 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 2k5l n GLY 32 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2k5l n ILE 33 N -1.36 4.11 -1.02 -0.61 2.08 -1.12 -4.75 119.36 116.69 2k5l n ILE 33 Ca 0.00 -4.19 -0.01 0.00 0.56 0.00 0.00 62.75 59.11 2k5l n ILE 33 Cb 0.00 -2.43 0.33 0.00 -0.75 0.00 0.00 39.64 36.79 2k5l n ILE 33 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2k5l n THR 34 N 4.36 2.83 -1.25 1.39 -2.24 -1.26 -3.60 114.28 114.50 2k5l n THR 34 Ca 0.42 -1.64 0.00 0.00 -2.27 0.00 0.00 64.05 60.56 2k5l n THR 34 Cb 0.40 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 2k5l n THR 34 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2k5l n ARG 35 N 0.00 -2.48 -0.29 -0.78 0.63 -1.26 -4.86 116.66 107.63 2k5l n ARG 35 Ca 0.35 2.04 0.00 0.00 -0.92 0.00 0.00 57.85 59.32 2k5l n ARG 35 Cb 1.28 -1.97 0.00 0.00 0.45 0.00 0.00 32.46 32.22 2k5l n ARG 35 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k5l n GLY 36 N 0.85 0.83 3.53 5.14 0.00 0.13 -5.01 105.19 110.65 2k5l n GLY 36 Ca 0.00 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 0.05 4.79 -0.25 0.00 2.02 -1.26 -1.41 118.70 122.64 2k5l s GLU 38 Ca -0.00 1.55 -0.01 0.00 0.02 0.00 0.00 54.97 56.53 2k5l s GLU 38 Cb -0.13 -3.27 0.03 0.00 0.10 0.00 0.00 34.13 30.85 2k5l s GLU 38 CO 0.03 0.41 -0.06 0.42 0.02 0.00 0.00 175.26 176.08 2k5l s ILE 39 N -1.01 2.84 -0.60 -1.63 -1.09 0.25 -4.63 121.20 115.33 2k5l s ILE 39 Ca 0.43 -1.07 -0.20 0.00 -2.23 0.00 0.00 60.65 57.57 2k5l s ILE 39 Cb -0.27 -2.46 0.09 0.00 -1.58 0.00 0.00 42.46 38.24 2k5l s ILE 39 CO 0.33 0.17 0.77 -0.47 -1.23 0.00 0.00 174.94 174.52 2k5l s TYR 40 N 1.31 2.91 -0.48 3.97 5.04 -1.03 -1.16 117.35 127.91 2k5l s TYR 40 Ca -0.00 -0.78 -0.28 0.00 -2.44 0.00 0.00 57.07 53.57 2k5l s TYR 40 Cb -0.17 -4.04 -0.01 0.00 0.35 0.00 0.00 41.96 38.09 2k5l s TYR 40 CO -0.04 -1.37 1.65 0.42 -1.34 0.00 0.00 175.55 174.87 2k5l s ILE 41 N 3.09 3.60 -0.12 3.14 1.01 -0.87 0.37 121.20 131.42 2k5l s ILE 41 Ca 0.15 0.53 -0.14 0.00 0.00 0.00 0.00 60.65 61.19 2k5l s ILE 41 Cb -0.21 -4.04 -0.12 0.00 0.01 0.00 0.00 42.46 38.10 2k5l s ILE 41 CO 0.08 -0.81 0.34 -0.09 0.00 0.00 0.00 174.94 174.45 2k5l h ARG 42 N 12.59 0.00 -2.83 2.79 9.65 -1.19 0.39 114.38 135.77 2k5l h ARG 42 Ca -0.29 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.46 2k5l h ARG 42 Cb 1.14 0.00 -0.25 0.00 -1.39 0.00 0.00 29.97 29.47 2k5l h ARG 42 CO 1.13 0.48 -0.30 0.21 2.80 0.00 0.00 179.97 184.29 2k5l s LYS 43 N -1.91 0.41 -0.22 0.20 2.20 -0.25 -4.30 119.74 115.87 2k5l s LYS 43 Ca -0.10 0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 56.04 2k5l s LYS 43 Cb -0.01 0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.48 2k5l s LYS 43 CO 0.34 -0.07 -0.10 0.08 -0.36 0.00 0.00 175.35 175.23 2k5l s VAL 44 N 0.41 2.75 0.46 4.02 1.01 -1.26 -0.11 120.40 127.68 2k5l s VAL 44 Ca -0.02 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 2k5l s VAL 44 Cb -0.04 -2.27 -0.07 0.00 0.00 0.00 0.00 36.38 34.00 2k5l s VAL 44 CO -0.02 0.39 1.16 0.00 0.00 0.00 0.00 175.10 176.63 2k5l s ALA 45 N 1.36 2.96 0.01 5.51 0.00 -1.18 -4.91 121.76 125.51 2k5l s ALA 45 Ca 0.04 0.93 0.28 0.00 0.00 0.00 0.00 51.96 53.21 2k5l s ALA 45 Cb -0.15 -3.38 1.49 0.00 0.00 0.00 0.00 23.12 21.08 2k5l s ALA 45 CO -0.07 -0.66 1.87 -1.35 0.00 0.00 0.00 175.76 175.55 2k5l h PRO 46 N 2.02 0.00 -0.02 0.00 0.11 -1.93 0.01 132.00 132.19 2k5l h PRO 46 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2k5l h PRO 46 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2k5l h PRO 46 CO 0.60 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.67 2k5l n LEU 47 N -2.51 0.89 0.00 2.35 4.77 -1.26 -4.88 117.00 116.35 2k5l n LEU 47 Ca -0.01 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 2k5l n LEU 47 Cb 0.08 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2k5l n LEU 47 CO 0.14 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 2k5l n GLY 48 N 1.09 2.99 3.63 -0.72 0.00 -0.01 -4.97 105.19 107.20 2k5l n GLY 48 Ca 0.21 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2k5l n GLY 48 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k5l s ASP 49 N 0.76 -0.21 0.58 1.61 -4.77 -1.25 -4.59 116.67 108.79 2k5l s ASP 49 Ca 0.00 -0.64 -0.16 0.00 -3.30 0.00 0.00 52.55 48.45 2k5l s ASP 49 Cb 0.00 0.62 -0.04 0.00 -1.09 0.00 0.00 42.92 42.41 2k5l s ASP 49 CO 0.00 -1.15 1.06 -2.16 0.70 0.00 0.00 175.17 173.62 2k5l s PRO 50 N -3.93 3.33 -0.42 2.11 0.04 -1.26 -4.69 135.00 130.19 2k5l s PRO 50 Ca 0.13 1.26 -0.19 0.00 0.04 0.00 0.00 61.00 62.24 2k5l s PRO 50 Cb -0.02 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.50 2k5l s PRO 50 CO 0.03 -0.81 0.53 0.42 0.04 0.00 0.00 177.00 177.22 2k5l s ILE 51 N -2.35 4.97 -0.41 0.56 1.01 0.63 -3.12 121.20 122.49 2k5l s ILE 51 Ca 0.65 -0.04 -0.25 0.00 0.00 0.00 0.00 60.65 61.01 2k5l s ILE 51 Cb -0.17 -4.09 0.02 0.00 0.01 0.00 0.00 42.46 38.23 2k5l s ILE 51 CO 0.35 -0.46 0.87 -1.58 0.00 0.00 0.00 174.94 174.12 2k5l s GLN 52 N 2.46 3.66 0.13 2.79 0.74 0.85 -1.69 119.66 128.60 2k5l s GLN 52 Ca 0.17 0.28 0.11 0.00 0.05 0.00 0.00 55.36 55.97 2k5l s GLN 52 Cb -0.16 -3.86 -0.04 0.00 1.10 0.00 0.00 33.01 30.05 2k5l s GLN 52 CO 0.16 -1.03 -0.26 0.96 -0.55 0.00 0.00 175.29 174.57 2k5l s ILE 53 N 3.44 2.18 -0.42 -2.34 -4.36 -0.79 -0.63 121.20 118.28 2k5l s ILE 53 Ca 0.35 -1.75 -0.17 0.00 -0.26 0.00 0.00 60.65 58.82 2k5l s ILE 53 Cb -0.12 -1.94 0.02 0.00 1.25 0.00 0.00 42.46 41.67 2k5l s ILE 53 CO 0.21 0.05 0.43 0.20 0.24 0.00 0.00 174.94 176.07 2k5l s ASN 54 N -2.08 6.19 -0.23 4.36 0.02 0.16 -2.14 114.94 121.22 2k5l s ASN 54 Ca 0.13 -0.66 -0.03 0.00 -1.02 0.00 0.00 52.86 51.29 2k5l s ASN 54 Cb -0.10 -2.22 0.01 0.00 0.02 0.00 0.00 41.25 38.96 2k5l s ASN 54 CO 0.06 -0.56 -0.06 -0.69 0.02 0.00 0.00 177.10 175.87 2k5l s VAL 55 N 2.11 3.06 -0.09 1.60 1.01 -0.13 -2.45 120.40 125.51 2k5l s VAL 55 Ca 0.12 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.32 2k5l s VAL 55 Cb -0.17 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.75 2k5l s VAL 55 CO 0.13 0.32 0.00 0.54 0.00 0.00 0.00 175.10 176.09 2k5l n ARG 56 N 4.73 -1.47 0.00 2.72 5.12 -1.26 -1.15 116.66 125.35 2k5l n ARG 56 Ca -0.18 0.41 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 2k5l n ARG 56 Cb 0.49 -4.53 0.00 0.00 -1.16 0.00 0.00 32.46 27.26 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 -0.07 0.53 3.94 -0.13 0.00 -1.26 -5.09 105.19 103.10 2k5l n GLY 57 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2k5l n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k5l s TYR 58 N -2.00 3.48 -0.31 1.61 1.51 -0.30 -5.04 117.35 116.30 2k5l s TYR 58 Ca 0.00 0.19 -0.10 0.00 -1.01 0.00 0.00 57.07 56.15 2k5l s TYR 58 Cb 0.00 -1.74 -0.01 0.00 -0.11 0.00 0.00 41.96 40.10 2k5l s TYR 58 CO 0.00 0.40 0.17 -1.21 -1.11 0.00 0.00 175.55 173.80 2k5l s GLU 59 N -3.59 3.43 0.09 -0.62 8.01 -1.26 -0.96 118.70 123.80 2k5l s GLU 59 Ca 0.36 -0.67 0.04 0.00 0.01 0.00 0.00 54.97 54.71 2k5l s GLU 59 Cb -0.10 -3.63 -0.03 0.00 -4.31 0.00 0.00 34.13 26.06 2k5l s GLU 59 CO 0.30 -0.40 -0.10 -0.48 0.01 0.00 0.00 175.26 174.59 2k5l s LEU 60 N 1.65 2.38 -0.12 1.80 0.05 -0.91 -4.99 118.68 118.54 2k5l s LEU 60 Ca 0.05 -0.78 -0.03 0.00 0.05 0.00 0.00 54.13 53.42 2k5l s LEU 60 Cb -0.17 -0.30 -0.03 0.00 -2.05 0.00 0.00 46.19 43.64 2k5l s LEU 60 CO 0.08 -0.25 -0.01 -0.44 -0.55 0.00 0.00 176.35 175.18 2k5l s SER 61 N -2.33 5.08 -0.02 1.48 0.01 -1.26 -1.89 113.70 114.75 2k5l s SER 61 Ca 0.04 0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.35 2k5l s SER 61 Cb -0.04 -1.64 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 2k5l s SER 61 CO 0.00 0.27 -0.11 -0.76 0.41 0.00 0.00 173.24 173.05 2k5l s LEU 62 N -0.23 2.95 0.63 2.44 2.01 -0.68 -4.91 118.68 120.90 2k5l s LEU 62 Ca 0.05 -0.17 -0.11 0.00 0.01 0.00 0.00 54.13 53.91 2k5l s LEU 62 Cb -0.13 -1.66 -0.03 0.00 0.01 0.00 0.00 46.19 44.38 2k5l s LEU 62 CO 0.02 0.32 1.04 -0.13 1.01 0.00 0.00 176.35 178.60 2k5l s ARG 63 N -1.06 3.46 0.31 1.70 1.81 -1.26 -0.27 118.95 123.64 2k5l s ARG 63 Ca 0.14 0.81 0.01 0.00 -1.72 0.00 0.00 55.73 54.97 2k5l s ARG 63 Cb -0.11 -2.06 0.54 0.00 -0.45 0.00 0.00 34.95 32.87 2k5l s ARG 63 CO 0.04 -0.68 1.92 1.57 -0.68 0.00 0.00 175.30 177.46 2k5l h LYS 64 N -0.35 0.98 -0.09 3.54 -0.00 -1.95 0.11 116.57 118.81 2k5l h LYS 64 Ca -0.44 -0.06 -0.19 0.00 -0.00 0.00 0.00 60.65 59.96 2k5l h LYS 64 Cb 1.19 -0.22 -0.00 0.00 -0.00 0.00 0.00 32.23 33.20 2k5l h LYS 64 CO 0.61 0.65 -0.73 0.77 -0.00 0.00 0.00 179.45 180.74 2k5l h SER 65 N 1.01 0.54 -0.19 7.07 0.02 -1.97 -3.10 113.55 116.93 2k5l h SER 65 Ca 0.38 -0.35 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 2k5l h SER 65 Cb 0.19 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2k5l h SER 65 CO -0.14 1.10 -0.43 0.00 -1.14 0.00 0.00 176.83 176.22 2k5l h ALA 66 N 0.89 0.69 -0.63 3.77 0.00 -1.60 -2.78 119.26 119.60 2k5l h ALA 66 Ca -0.03 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.43 2k5l h ALA 66 Cb 1.31 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2k5l h ALA 66 CO 0.13 0.67 0.41 0.00 0.00 0.00 0.00 179.25 180.46 2k5l h ALA 67 N 0.92 1.59 0.00 0.00 0.00 -0.86 -1.67 119.26 119.24 2k5l h ALA 67 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k5l h ALA 67 Cb 0.98 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k5l h ALA 67 CO 0.09 0.36 0.00 1.49 0.00 0.00 0.00 179.25 181.20 2k5l h GLU 68 N 0.81 0.00 0.00 0.00 4.81 -1.41 -1.88 114.58 116.91 2k5l h GLU 68 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2k5l h GLU 68 Cb -0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2k5l h GLU 68 CO -0.06 0.00 -0.08 -1.33 -0.73 0.00 0.00 179.01 176.82 2k5l n MET 69 N -2.67 0.01 -3.33 1.92 2.81 -0.63 -4.68 117.12 110.55 2k5l n MET 69 Ca 0.03 0.01 -0.44 0.00 -1.81 0.00 0.00 57.70 55.49 2k5l n MET 69 Cb 0.37 -1.51 -0.08 0.00 -0.71 0.00 0.00 33.22 31.29 2k5l n MET 69 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2k5l s ILE 70 N -3.00 5.13 -0.25 2.02 1.01 -0.75 -0.08 121.20 125.28 2k5l s ILE 70 Ca 0.13 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 59.71 2k5l s ILE 70 Cb 0.19 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2k5l s ILE 70 CO 0.56 -0.58 1.19 -0.70 0.00 0.00 0.00 174.94 175.41 2k5l s GLU 71 N 1.95 4.11 0.49 2.79 2.56 -0.24 -1.50 118.70 128.86 2k5l s GLU 71 Ca 0.08 1.36 0.02 0.00 0.00 0.00 0.00 54.97 56.42 2k5l s GLU 71 Cb -0.21 -3.77 -0.01 0.00 2.00 0.00 0.00 34.13 32.14 2k5l s GLU 71 CO 0.09 -0.86 0.05 0.14 -0.56 0.00 0.00 175.26 174.12 2k5l s VAL 72 N 3.74 0.86 -0.10 3.70 -7.23 -1.23 -0.65 120.40 119.49 2k5l s VAL 72 Ca 0.51 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.50 2k5l s VAL 72 Cb -0.17 -2.13 0.04 0.00 0.56 0.00 0.00 36.38 34.68 2k5l s VAL 72 CO 0.16 0.00 0.45 -0.70 -0.31 0.00 0.00 175.10 174.70 2k5l s GLU 73 N -3.81 0.67 0.24 4.82 2.56 -1.00 -4.85 118.70 117.33 2k5l s GLU 73 Ca 0.09 0.31 -0.29 0.00 0.00 0.00 0.00 54.97 55.08 2k5l s GLU 73 Cb 0.01 0.32 -0.09 0.00 2.00 0.00 0.00 34.13 36.36 2k5l s GLU 73 CO 0.06 -0.15 0.93 -0.51 -0.56 0.00 0.00 175.26 175.03 2k5l s LEU 74 N -0.50 4.61 0.00 2.70 2.01 -1.26 -1.55 118.68 124.69 2k5l s LEU 74 Ca -0.06 1.91 0.27 0.00 0.01 0.00 0.00 54.13 56.26 2k5l s LEU 74 Cb -0.03 -3.63 0.85 0.00 0.01 0.00 0.00 46.19 43.38 2k5l s LEU 74 CO 0.03 0.14 1.66 -1.84 1.01 0.00 0.00 176.35 177.35 2k5l n GLU 75 N 1.38 0.01 -3.13 1.70 -0.00 -0.92 -4.62 120.64 115.06 2k5l n GLU 75 Ca -0.02 0.00 -0.45 0.00 -0.00 0.00 0.00 57.16 56.69 2k5l n GLU 75 Cb 0.48 -1.51 -0.03 0.00 -0.00 0.00 0.00 31.44 30.38 2k5l n GLU 75 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2k5l s HIS 76 N -3.00 3.39 0.13 -1.84 2.46 -1.26 -5.01 115.29 110.15 2k5l s HIS 76 Ca 0.12 -1.60 0.08 0.00 0.47 0.00 0.00 55.06 54.13 2k5l s HIS 76 Cb 0.18 -4.04 -0.04 0.00 -0.13 0.00 0.00 32.58 28.56 2k5l s HIS 76 CO 0.62 -1.24 -0.19 -1.01 -2.47 0.00 0.00 174.74 170.45 2k5l s HIS 77 N 1.56 1.73 -0.13 3.88 3.76 -1.26 -5.14 115.29 119.69 2k5l s HIS 77 Ca 0.23 -0.45 -0.00 0.00 -0.15 0.00 0.00 55.06 54.68 2k5l s HIS 77 Cb -0.10 -0.91 0.03 0.00 1.11 0.00 0.00 32.58 32.70 2k5l s HIS 77 CO -0.07 0.24 -0.09 -1.01 -0.85 0.00 0.00 174.74 172.95 2k5l s HIS 78 N -1.59 1.72 0.00 1.40 3.76 -1.26 -4.79 115.29 114.52 2k5l s HIS 78 Ca 0.10 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 54.08 2k5l s HIS 78 Cb -0.08 -1.35 0.00 0.00 1.11 0.00 0.00 32.58 32.26 2k5l s HIS 78 CO 0.05 -0.57 0.00 1.58 -0.85 0.00 0.00 174.74 174.95 2k5l n HIS 79 N 4.88 0.00 -3.35 1.40 -0.00 -1.26 -4.86 115.22 112.03 2k5l n HIS 79 Ca -0.14 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 57.93 2k5l n HIS 79 Cb 0.50 -0.66 -0.08 0.00 -0.12 0.00 0.00 29.99 29.63 2k5l n HIS 79 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k5l s HIS 80 N -2.47 -0.79 -2.09 1.57 5.65 -1.26 -5.36 115.29 110.54 2k5l s HIS 80 Ca 0.00 0.51 0.31 0.00 0.25 0.00 0.00 55.06 56.13 2k5l s HIS 80 Cb 0.00 -0.12 1.75 0.00 -1.18 0.00 0.00 32.58 33.03 2k5l s HIS 80 CO 0.00 -0.81 2.14 1.58 -0.65 0.00 0.00 174.74 177.00