#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 2.82 0.47 1.12 2.19 -1.26 -5.00 117.98 118.32 2k5l s PHE 2 Ca 0.00 0.14 -0.20 0.00 0.33 0.00 0.00 56.93 57.20 2k5l s PHE 2 Cb 0.00 -4.07 -0.09 0.00 -1.31 0.00 0.00 43.02 37.55 2k5l s PHE 2 CO 0.00 -1.29 0.99 0.45 1.83 0.00 0.00 175.22 177.20 2k5l s SER 3 N 2.67 6.63 0.45 6.13 0.15 -1.26 0.16 113.70 128.63 2k5l s SER 3 Ca 0.33 1.77 0.21 0.00 0.70 0.00 0.00 55.95 58.96 2k5l s SER 3 Cb -0.11 -2.54 1.06 0.00 -1.71 0.00 0.00 66.02 62.71 2k5l s SER 3 CO 0.22 -0.58 1.93 0.25 1.20 0.00 0.00 173.24 176.27 2k5l h LEU 4 N 1.61 0.00 0.00 3.45 5.85 -1.02 -0.66 115.31 124.54 2k5l h LEU 4 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2k5l h LEU 4 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2k5l h LEU 4 CO 0.60 0.24 -0.20 -1.14 -0.34 0.00 0.00 178.44 177.60 2k5l n ARG 5 N -3.81 0.13 0.08 1.25 0.00 -1.11 -3.30 116.66 109.90 2k5l n ARG 5 Ca -0.02 0.08 0.11 0.00 -0.00 0.00 0.00 57.85 58.02 2k5l n ARG 5 Cb 0.33 -1.62 -0.04 0.00 0.00 0.00 0.00 32.46 31.13 2k5l n ARG 5 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2k5l n ASP 6 N -1.83 0.67 -4.76 6.15 2.03 -0.34 -4.92 116.55 113.56 2k5l n ASP 6 Ca 0.06 0.26 -0.37 0.00 0.52 0.00 0.00 54.79 55.26 2k5l n ASP 6 Cb 0.38 0.77 0.03 0.00 -0.72 0.00 0.00 41.12 41.58 2k5l n ASP 6 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5l s ALA 7 N -3.38 2.66 0.02 -1.67 0.00 -0.72 -4.94 121.76 113.73 2k5l s ALA 7 Ca -0.02 1.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.87 2k5l s ALA 7 Cb 0.10 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 2k5l s ALA 7 CO 0.82 -1.12 0.38 0.15 0.00 0.00 0.00 175.76 175.99 2k5l s LYS 8 N -3.16 3.81 0.13 0.00 -0.14 -1.26 -4.98 119.74 114.13 2k5l s LYS 8 Ca 0.74 0.26 -0.31 0.00 -1.36 0.00 0.00 55.97 55.31 2k5l s LYS 8 Cb -0.32 -3.12 -0.10 0.00 -1.68 0.00 0.00 37.83 32.61 2k5l s LYS 8 CO 0.36 0.64 1.65 0.00 -0.76 0.00 0.00 175.35 177.24 2k5l n GLY 10 N 3.93 1.01 3.80 0.00 0.00 0.12 -4.99 105.19 109.07 2k5l n GLY 10 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.45 2.86 -0.16 1.61 -0.21 -0.86 -4.94 119.66 117.51 2k5l s GLN 11 Ca 0.00 -0.99 -0.03 0.00 0.02 0.00 0.00 55.36 54.36 2k5l s GLN 11 Cb 0.00 -2.57 -0.02 0.00 1.00 0.00 0.00 33.01 31.41 2k5l s GLN 11 CO 0.00 0.44 -0.05 0.99 -2.12 0.00 0.00 175.29 174.55 2k5l s THR 12 N -1.95 3.75 0.52 -0.19 2.01 -1.26 -1.24 115.64 117.28 2k5l s THR 12 Ca 0.32 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.92 2k5l s THR 12 Cb -0.09 -2.64 -0.00 0.00 0.01 0.00 0.00 72.50 69.78 2k5l s THR 12 CO 0.24 0.49 0.01 0.68 -0.69 0.00 0.00 174.62 175.35 2k5l s VAL 13 N 0.45 1.00 -0.03 3.82 -7.23 0.36 -2.03 120.40 116.75 2k5l s VAL 13 Ca -0.04 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 2k5l s VAL 13 Cb -0.14 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.75 2k5l s VAL 13 CO 0.03 0.00 -0.10 -0.54 -0.31 0.00 0.00 175.10 174.18 2k5l s LYS 14 N -3.89 1.05 -0.21 4.82 1.02 0.21 0.84 119.74 123.58 2k5l s LYS 14 Ca 0.03 -0.35 -0.29 0.00 0.02 0.00 0.00 55.97 55.38 2k5l s LYS 14 Cb 0.00 -0.97 -0.01 0.00 -0.52 0.00 0.00 37.83 36.33 2k5l s LYS 14 CO 0.02 0.14 1.37 0.08 -0.92 0.00 0.00 175.35 176.03 2k5l s VAL 15 N 0.14 4.07 -0.11 3.17 1.01 -0.45 -0.03 120.40 128.20 2k5l s VAL 15 Ca -0.03 1.26 0.04 0.00 0.00 0.00 0.00 61.98 63.25 2k5l s VAL 15 Cb -0.08 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 2k5l s VAL 15 CO 0.01 -0.27 -0.05 1.33 0.00 0.00 0.00 175.10 176.11 2k5l n VAL 16 N 5.83 0.65 -3.81 2.92 0.24 -0.54 0.33 118.33 123.95 2k5l n VAL 16 Ca 0.15 -0.30 -0.13 0.00 -2.04 0.00 0.00 64.34 62.02 2k5l n VAL 16 Cb 0.45 -0.86 -0.15 0.00 -1.47 0.00 0.00 33.84 31.82 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 0.01 -0.40 7.34 2.47 -0.46 -4.83 119.74 121.64 2k5l s LYS 17 Ca -0.12 0.13 -0.10 0.00 -1.56 0.00 0.00 55.97 54.33 2k5l s LYS 17 Cb 0.04 -0.11 0.06 0.00 -1.46 0.00 0.00 37.83 36.35 2k5l s LYS 17 CO 0.31 -0.09 0.23 -0.51 0.16 0.00 0.00 175.35 175.45 2k5l s LEU 18 N 0.57 4.93 0.44 5.43 1.43 -1.26 -0.80 118.68 129.42 2k5l s LEU 18 Ca -0.05 -1.27 -0.05 0.00 -1.03 0.00 0.00 54.13 51.73 2k5l s LEU 18 Cb -0.07 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 2k5l s LEU 18 CO -0.02 -0.47 0.74 -1.00 0.23 0.00 0.00 176.35 175.84 2k5l s HIS 19 N 1.48 3.54 -3.70 0.29 3.76 -1.17 -4.97 115.29 114.53 2k5l s HIS 19 Ca 0.02 0.78 0.00 0.00 -0.15 0.00 0.00 55.06 55.71 2k5l s HIS 19 Cb -0.21 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 31.22 2k5l s HIS 19 CO 0.04 -0.18 0.00 0.41 -0.85 0.00 0.00 174.74 174.16 2k5l n GLY 20 N -1.99 0.81 0.30 -2.22 0.00 -1.26 -4.66 105.19 96.17 2k5l n GLY 20 Ca 0.00 -2.01 0.13 0.00 0.00 0.00 0.00 46.02 44.14 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 6.66 0.05 0.00 2.61 -2.24 -1.26 -4.92 114.28 115.18 2k5l n THR 21 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2k5l n THR 21 Cb 0.00 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 1.05 2.69 0.34 3.38 0.00 -1.26 -4.76 105.19 106.63 2k5l n GLY 22 Ca 0.19 -0.65 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 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 1.15 -0.72 4.61 0.00 -1.98 0.91 119.26 123.21 2k5l h ALA 23 Ca 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2k5l h ALA 23 Cb 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2k5l h ALA 23 CO 0.00 0.64 0.39 1.25 0.00 0.00 0.00 179.25 181.53 2k5l h LEU 24 N 1.13 0.91 -0.27 0.00 5.85 -1.93 -1.62 115.31 119.37 2k5l h LEU 24 Ca 0.27 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2k5l h LEU 24 Cb 0.14 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2k5l h LEU 24 CO -0.03 0.75 0.12 0.11 -0.34 0.00 0.00 178.44 179.05 2k5l h LYS 25 N 1.00 0.40 -0.98 1.25 1.57 -1.59 -1.27 116.57 116.95 2k5l h LYS 25 Ca 0.25 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 2k5l h LYS 25 Cb 0.05 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 2k5l h LYS 25 CO -0.04 0.40 0.64 -0.09 -0.57 0.00 0.00 179.45 179.79 2k5l h ARG 26 N 0.30 1.16 -0.37 3.15 1.12 -0.65 0.14 114.38 119.24 2k5l h ARG 26 Ca 0.09 -0.07 -0.08 0.00 -1.11 0.00 0.00 59.98 58.81 2k5l h ARG 26 Cb 0.14 -0.26 -0.01 0.00 -0.01 0.00 0.00 29.97 29.83 2k5l h ARG 26 CO -0.01 0.77 -0.10 -0.09 -3.11 0.00 0.00 179.97 177.42 2k5l h ARG 27 N 1.19 0.71 -0.37 0.20 2.43 -0.91 -1.38 114.38 116.26 2k5l h ARG 27 Ca 0.41 -0.28 -0.15 0.00 -0.81 0.00 0.00 59.98 59.15 2k5l h ARG 27 Cb 0.09 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2k5l h ARG 27 CO -0.14 0.87 -0.34 0.82 -1.51 0.00 0.00 179.97 179.67 2k5l h ILE 28 N 0.51 1.28 0.00 1.20 2.04 -0.67 -2.42 117.51 119.45 2k5l h ILE 28 Ca 0.09 -1.51 -0.04 0.00 1.00 0.00 0.00 64.86 64.40 2k5l h ILE 28 Cb 0.62 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2k5l h ILE 28 CO 0.04 0.50 -0.19 0.24 0.00 0.00 0.00 178.15 178.74 2k5l h MET 29 N 0.71 0.00 -0.03 2.37 2.86 -0.70 -2.46 114.93 117.68 2k5l h MET 29 Ca 0.07 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2k5l h MET 29 Cb 0.91 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.57 2k5l h MET 29 CO 0.08 0.19 -0.07 0.22 1.06 0.00 0.00 176.91 178.40 2k5l h ASP 30 N 0.00 0.04 0.61 1.22 1.82 -0.72 0.02 116.42 119.40 2k5l h ASP 30 Ca -0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2k5l h ASP 30 Cb 0.36 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.36 2k5l h ASP 30 CO 0.02 0.11 -0.04 0.23 -1.61 0.00 0.00 179.24 177.96 2k5l n MET 31 N -4.43 0.38 0.00 0.28 2.81 -0.94 -4.87 117.12 110.35 2k5l n MET 31 Ca -0.02 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 2k5l n MET 31 Cb 0.16 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 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 1.33 0.70 3.46 3.03 0.00 -0.01 -4.99 105.19 108.71 2k5l n GLY 32 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 4.30 0.21 -0.61 1.01 -1.12 -4.88 121.20 118.11 2k5l s ILE 33 Ca 0.00 -0.41 0.11 0.00 0.00 0.00 0.00 60.65 60.35 2k5l s ILE 33 Cb 0.00 -4.72 -0.05 0.00 0.01 0.00 0.00 42.46 37.71 2k5l s ILE 33 CO 0.00 -1.50 -0.22 0.42 0.00 0.00 0.00 174.94 173.64 2k5l s THR 34 N 4.10 2.32 -0.14 2.92 -4.23 -1.26 -3.20 115.64 116.15 2k5l s THR 34 Ca 0.24 -2.13 -0.30 0.00 -1.18 0.00 0.00 61.69 58.32 2k5l s THR 34 Cb -0.15 -2.14 -0.08 0.00 1.34 0.00 0.00 72.50 71.47 2k5l s THR 34 CO 0.09 -0.23 2.11 -2.11 -0.54 0.00 0.00 174.62 173.94 2k5l n ARG 35 N 0.01 2.17 0.00 3.99 1.85 -1.26 -1.58 116.66 121.84 2k5l n ARG 35 Ca -0.10 0.70 0.00 0.00 -1.00 0.00 0.00 57.85 57.44 2k5l n ARG 35 Cb 0.57 -3.02 0.00 0.00 -1.05 0.00 0.00 32.46 28.96 2k5l n ARG 35 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2k5l n GLY 36 N 5.32 1.19 3.79 2.89 0.00 0.15 -4.98 105.19 113.55 2k5l n GLY 36 Ca 0.27 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.12 4.08 -0.26 0.00 1.03 -1.26 -1.34 118.70 117.83 2k5l s GLU 38 Ca 0.67 0.60 -0.02 0.00 0.03 0.00 0.00 54.97 56.25 2k5l s GLU 38 Cb -0.19 -3.23 0.03 0.00 -0.80 0.00 0.00 34.13 29.93 2k5l s GLU 38 CO 0.23 0.66 -0.05 0.42 -1.33 0.00 0.00 175.26 175.19 2k5l s ILE 39 N -1.08 2.94 -0.39 1.83 -1.09 0.25 -4.73 121.20 118.93 2k5l s ILE 39 Ca 0.27 -1.06 -0.27 0.00 -2.23 0.00 0.00 60.65 57.36 2k5l s ILE 39 Cb -0.18 -2.52 0.02 0.00 -1.58 0.00 0.00 42.46 38.19 2k5l s ILE 39 CO 0.17 0.15 0.97 -0.47 -1.23 0.00 0.00 174.94 174.52 2k5l s TYR 40 N 1.32 3.04 -0.68 3.97 5.04 -1.12 -0.48 117.35 128.43 2k5l s TYR 40 Ca -0.01 0.77 -0.27 0.00 -2.44 0.00 0.00 57.07 55.13 2k5l s TYR 40 Cb -0.17 -3.79 0.01 0.00 0.35 0.00 0.00 41.96 38.36 2k5l s TYR 40 CO -0.04 -0.91 1.55 0.42 -1.34 0.00 0.00 175.55 175.24 2k5l s ILE 41 N 3.65 3.55 -0.06 3.14 -1.09 -0.37 -0.67 121.20 129.35 2k5l s ILE 41 Ca 0.40 0.30 -0.24 0.00 -2.23 0.00 0.00 60.65 58.89 2k5l s ILE 41 Cb -0.11 -4.46 -0.26 0.00 -1.58 0.00 0.00 42.46 36.04 2k5l s ILE 41 CO 0.21 -1.42 0.95 -0.09 -1.23 0.00 0.00 174.94 173.36 2k5l h ARG 42 N 12.31 0.23 -1.93 2.79 1.12 -1.48 0.34 114.38 127.75 2k5l h ARG 42 Ca -0.27 -0.30 0.07 0.00 -1.11 0.00 0.00 59.98 58.37 2k5l h ARG 42 Cb 1.10 0.10 -0.21 0.00 -0.01 0.00 0.00 29.97 30.95 2k5l h ARG 42 CO 1.25 1.07 -0.06 0.21 -3.11 0.00 0.00 179.97 179.33 2k5l s LYS 43 N -2.77 0.59 -0.34 0.20 2.20 0.15 -4.46 119.74 115.31 2k5l s LYS 43 Ca -0.15 1.34 -0.10 0.00 -0.36 0.00 0.00 55.97 56.70 2k5l s LYS 43 Cb 0.01 0.64 0.01 0.00 -1.51 0.00 0.00 37.83 36.99 2k5l s LYS 43 CO 0.78 -0.18 0.18 0.08 -0.36 0.00 0.00 175.35 175.84 2k5l s VAL 44 N 2.51 4.53 0.47 4.02 1.01 -1.26 0.11 120.40 131.79 2k5l s VAL 44 Ca -0.07 -0.69 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 2k5l s VAL 44 Cb -0.10 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 2k5l s VAL 44 CO -0.19 -0.10 1.38 0.00 0.00 0.00 0.00 175.10 176.19 2k5l n ALA 45 N 4.98 1.79 0.35 5.51 0.00 -1.10 -4.86 120.51 127.18 2k5l n ALA 45 Ca -0.13 0.22 0.05 0.00 0.00 0.00 0.00 53.44 53.58 2k5l n ALA 45 Cb 0.47 -2.36 0.24 0.00 0.00 0.00 0.00 19.45 17.80 2k5l n ALA 45 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k5l n PRO 46 N -0.38 0.01 0.15 0.00 -0.04 -1.26 -0.66 135.00 132.82 2k5l n PRO 46 Ca 0.07 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 2k5l n PRO 46 Cb 0.42 -1.52 0.15 0.00 -0.04 0.00 0.00 33.50 32.51 2k5l n PRO 46 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2k5l h LEU 47 N 0.00 0.00 0.00 1.53 3.38 -1.96 -3.47 115.31 114.79 2k5l h LEU 47 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k5l h LEU 47 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2k5l h LEU 47 CO 0.00 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2k5l n GLY 48 N 1.18 0.71 3.46 0.83 0.00 0.17 -5.04 105.19 106.51 2k5l n GLY 48 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.85 -0.62 0.58 1.61 2.15 -1.26 -4.48 116.67 112.81 2k5l s ASP 49 Ca 0.00 1.15 -0.01 0.00 0.43 0.00 0.00 52.55 54.12 2k5l s ASP 49 Cb 0.00 1.13 0.07 0.00 -0.30 0.00 0.00 42.92 43.82 2k5l s ASP 49 CO 0.00 -0.20 0.50 -0.81 -0.17 0.00 0.00 175.17 174.49 2k5l n PRO 50 N 3.14 0.21 -3.82 4.34 -0.04 -1.26 -4.79 135.00 132.77 2k5l n PRO 50 Ca -0.16 -1.31 -0.36 0.00 -0.04 0.00 0.00 63.50 61.63 2k5l n PRO 50 Cb 0.56 -0.35 -0.13 0.00 -0.04 0.00 0.00 33.50 33.55 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 -1.45 3.57 -0.37 0.52 1.09 0.71 -2.71 121.20 122.56 2k5l s ILE 51 Ca 0.33 -0.93 -0.21 0.00 -1.10 0.00 0.00 60.65 58.73 2k5l s ILE 51 Cb -0.02 -2.89 0.01 0.00 -1.06 0.00 0.00 42.46 38.50 2k5l s ILE 51 CO 0.22 0.03 0.67 -1.58 -0.10 0.00 0.00 174.94 174.18 2k5l s GLN 52 N 1.41 3.63 0.25 2.79 2.00 0.12 -1.46 119.66 128.39 2k5l s GLN 52 Ca 0.00 0.04 0.11 0.00 -2.00 0.00 0.00 55.36 53.52 2k5l s GLN 52 Cb -0.18 -3.83 -0.05 0.00 0.80 0.00 0.00 33.01 29.75 2k5l s GLN 52 CO 0.01 -0.81 -0.20 0.96 -0.50 0.00 0.00 175.29 174.75 2k5l s ILE 53 N 2.82 2.35 -0.30 -2.34 -4.36 -0.53 -0.68 121.20 118.17 2k5l s ILE 53 Ca 0.26 -2.28 -0.03 0.00 -0.26 0.00 0.00 60.65 58.34 2k5l s ILE 53 Cb -0.14 -2.21 0.04 0.00 1.25 0.00 0.00 42.46 41.40 2k5l s ILE 53 CO 0.16 -0.34 0.01 0.21 0.24 0.00 0.00 174.94 175.22 2k5l s ASN 54 N -3.25 4.90 -0.08 4.36 3.84 0.15 0.48 114.94 125.35 2k5l s ASN 54 Ca 0.26 -1.19 0.04 0.00 0.21 0.00 0.00 52.86 52.18 2k5l s ASN 54 Cb -0.05 -1.74 0.00 0.00 -0.55 0.00 0.00 41.25 38.91 2k5l s ASN 54 CO 0.13 -0.25 -0.20 -0.69 -2.79 0.00 0.00 177.10 173.29 2k5l s VAL 55 N 1.29 1.74 -1.15 -5.21 1.01 0.84 -2.79 120.40 116.13 2k5l s VAL 55 Ca -0.04 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2k5l s VAL 55 Cb -0.19 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.67 2k5l s VAL 55 CO -0.01 0.49 0.00 0.54 0.00 0.00 0.00 175.10 176.12 2k5l n ARG 56 N 3.47 -1.39 0.00 2.72 5.12 -1.26 -0.69 116.66 124.62 2k5l n ARG 56 Ca -0.20 0.85 0.00 0.00 -1.93 0.00 0.00 57.85 56.57 2k5l n ARG 56 Cb 0.53 -5.10 0.00 0.00 -1.16 0.00 0.00 32.46 26.73 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 -0.38 2.30 3.76 -0.13 0.00 -1.26 -5.05 105.19 104.44 2k5l n GLY 57 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.48 3.42 -0.15 1.61 5.04 0.13 -5.04 117.35 119.87 2k5l s TYR 58 Ca 0.00 0.34 -0.26 0.00 -2.44 0.00 0.00 57.07 54.71 2k5l s TYR 58 Cb 0.00 -2.00 -0.02 0.00 0.35 0.00 0.00 41.96 40.29 2k5l s TYR 58 CO 0.00 0.47 0.84 -1.83 -1.34 0.00 0.00 175.55 173.69 2k5l s GLU 59 N -0.37 4.32 -0.06 4.97 -1.05 -1.26 -0.11 118.70 125.15 2k5l s GLU 59 Ca 0.10 1.05 0.04 0.00 -0.15 0.00 0.00 54.97 56.01 2k5l s GLU 59 Cb -0.12 -3.56 -0.02 0.00 -0.44 0.00 0.00 34.13 29.99 2k5l s GLU 59 CO 0.01 -0.30 -0.15 -0.51 0.95 0.00 0.00 175.26 175.26 2k5l s LEU 60 N 2.04 2.67 -0.49 1.83 1.43 0.18 -4.95 118.68 121.39 2k5l s LEU 60 Ca 0.39 -0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 53.07 2k5l s LEU 60 Cb -0.17 -1.54 0.05 0.00 0.03 0.00 0.00 46.19 44.56 2k5l s LEU 60 CO 0.13 0.32 0.60 -0.44 0.23 0.00 0.00 176.35 177.19 2k5l s SER 61 N -0.60 6.23 -0.07 2.29 0.01 -1.26 -1.45 113.70 118.85 2k5l s SER 61 Ca 0.09 -0.87 -0.01 0.00 1.31 0.00 0.00 55.95 56.47 2k5l s SER 61 Cb -0.11 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 2k5l s SER 61 CO 0.01 -0.84 -0.01 -0.22 0.41 0.00 0.00 173.24 172.59 2k5l s LEU 62 N 2.55 3.52 0.51 2.44 2.96 -0.54 -4.96 118.68 125.16 2k5l s LEU 62 Ca 0.15 0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 53.98 2k5l s LEU 62 Cb -0.19 -1.84 -0.08 0.00 0.50 0.00 0.00 46.19 44.58 2k5l s LEU 62 CO 0.12 0.36 0.99 -0.13 -1.32 0.00 0.00 176.35 176.37 2k5l s ARG 63 N -1.01 3.94 0.20 1.98 1.81 -1.26 -0.20 118.95 124.41 2k5l s ARG 63 Ca 0.14 1.01 -0.19 0.00 -1.72 0.00 0.00 55.73 54.97 2k5l s ARG 63 Cb -0.11 -2.13 0.16 0.00 -0.45 0.00 0.00 34.95 32.42 2k5l s ARG 63 CO 0.04 -0.28 1.59 -0.22 -0.68 0.00 0.00 175.30 175.75 2k5l h LYS 64 N 1.04 -0.12 -0.67 3.54 3.64 -1.92 0.11 116.57 122.19 2k5l h LYS 64 Ca -0.47 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 58.87 2k5l h LYS 64 Cb 1.19 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 2k5l h LYS 64 CO 0.61 -0.08 0.23 0.66 -2.27 0.00 0.00 179.45 178.60 2k5l h SER 65 N -0.12 0.96 -0.30 4.20 4.64 -1.93 0.99 113.55 121.98 2k5l h SER 65 Ca 0.26 -0.20 -0.09 0.00 -0.47 0.00 0.00 61.79 61.30 2k5l h SER 65 Cb 0.55 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2k5l h SER 65 CO -0.71 0.90 -0.16 0.00 -0.87 0.00 0.00 176.83 176.00 2k5l h ALA 66 N 1.10 0.43 -0.42 5.18 0.00 -1.75 -2.66 119.26 121.14 2k5l h ALA 66 Ca 0.22 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2k5l h ALA 66 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2k5l h ALA 66 CO -0.01 0.33 -0.14 0.00 0.00 0.00 0.00 179.25 179.43 2k5l h ALA 67 N 0.76 0.96 0.00 0.00 0.00 -0.65 -2.96 119.26 117.37 2k5l h ALA 67 Ca 0.07 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2k5l h ALA 67 Cb 0.68 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2k5l h ALA 67 CO 0.05 0.61 -0.27 1.49 0.00 0.00 0.00 179.25 181.12 2k5l h GLU 68 N 0.69 0.00 -0.00 0.00 4.81 -0.69 -1.98 114.58 117.41 2k5l h GLU 68 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2k5l h GLU 68 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2k5l h GLU 68 CO 0.04 0.27 -0.13 -0.12 -0.73 0.00 0.00 179.01 178.34 2k5l n MET 69 N -3.65 0.24 -3.30 1.92 1.56 -1.01 -4.68 117.12 108.21 2k5l n MET 69 Ca -0.01 -0.06 -0.38 0.00 -0.27 0.00 0.00 57.70 56.98 2k5l n MET 69 Cb 0.39 -1.50 -0.06 0.00 2.15 0.00 0.00 33.22 34.21 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 -2.80 5.18 -0.32 1.12 -1.09 -0.76 -3.03 121.20 119.50 2k5l s ILE 70 Ca 0.19 0.98 -0.18 0.00 -2.23 0.00 0.00 60.65 59.42 2k5l s ILE 70 Cb 0.19 -3.83 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 2k5l s ILE 70 CO 0.54 0.31 0.50 -0.70 -1.23 0.00 0.00 174.94 174.36 2k5l s GLU 71 N 0.70 3.76 0.38 2.79 2.12 0.02 -1.29 118.70 127.18 2k5l s GLU 71 Ca 0.26 -0.04 0.05 0.00 0.36 0.00 0.00 54.97 55.60 2k5l s GLU 71 Cb -0.15 -3.76 -0.06 0.00 0.26 0.00 0.00 34.13 30.42 2k5l s GLU 71 CO 0.11 -0.54 0.04 0.14 -0.54 0.00 0.00 175.26 174.47 2k5l s VAL 72 N 2.33 1.43 -0.08 3.70 -7.23 0.12 -1.35 120.40 119.33 2k5l s VAL 72 Ca 0.19 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.39 2k5l s VAL 72 Cb -0.16 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.01 2k5l s VAL 72 CO 0.12 0.00 -0.19 -0.70 -0.31 0.00 0.00 175.10 174.02 2k5l s GLU 73 N -3.81 2.42 -0.31 4.82 2.12 0.95 -4.12 118.70 120.77 2k5l s GLU 73 Ca 0.32 -0.70 -0.29 0.00 0.36 0.00 0.00 54.97 54.66 2k5l s GLU 73 Cb 0.08 -1.91 -0.00 0.00 0.26 0.00 0.00 34.13 32.56 2k5l s GLU 73 CO 0.15 0.16 1.42 -1.17 -0.54 0.00 0.00 175.26 175.28 2k5l s LEU 74 N 0.36 3.79 -0.28 2.70 1.98 -1.26 -0.62 118.68 125.34 2k5l s LEU 74 Ca -0.14 1.20 -0.28 0.00 -2.89 0.00 0.00 54.13 52.02 2k5l s LEU 74 Cb -0.16 -3.54 -0.03 0.00 0.66 0.00 0.00 46.19 43.12 2k5l s LEU 74 CO 0.06 -1.24 1.97 -0.70 -1.89 0.00 0.00 176.35 174.55 2k5l s GLU 75 N 4.56 3.26 -0.96 1.98 2.12 -0.86 -4.89 118.70 123.91 2k5l s GLU 75 Ca 0.62 1.68 -0.24 0.00 0.36 0.00 0.00 54.97 57.40 2k5l s GLU 75 Cb -0.18 -4.27 0.03 0.00 0.26 0.00 0.00 34.13 29.97 2k5l s GLU 75 CO 0.27 -1.95 1.52 -1.01 -0.54 0.00 0.00 175.26 173.56 2k5l s HIS 76 N 7.44 2.36 -0.31 5.30 3.76 -1.26 -4.84 115.29 127.74 2k5l s HIS 76 Ca 0.88 -0.46 -0.03 0.00 -0.15 0.00 0.00 55.06 55.31 2k5l s HIS 76 Cb -0.27 -4.57 0.07 0.00 1.11 0.00 0.00 32.58 28.93 2k5l s HIS 76 CO 0.34 -1.93 2.54 -2.39 -0.85 0.00 0.00 174.74 172.45 2k5l n HIS 77 N 9.91 1.24 -3.64 1.40 1.44 -1.26 -4.74 115.22 119.56 2k5l n HIS 77 Ca 0.30 -1.82 -0.15 0.00 -2.01 0.00 0.00 57.72 54.04 2k5l n HIS 77 Cb 0.50 -1.18 -0.08 0.00 0.12 0.00 0.00 29.99 29.35 2k5l n HIS 77 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2k5l s HIS 78 N -1.26 -0.55 -0.00 -1.40 -3.43 -1.26 -5.18 115.29 102.21 2k5l s HIS 78 Ca 0.45 1.14 0.06 0.00 -0.80 0.00 0.00 55.06 55.91 2k5l s HIS 78 Cb 0.29 0.26 -0.01 0.00 -1.43 0.00 0.00 32.58 31.68 2k5l s HIS 78 CO -0.09 -0.42 -0.18 -3.38 -2.00 0.00 0.00 174.74 168.67 2k5l s HIS 79 N -0.53 1.56 -0.21 0.38 -3.43 -1.26 -4.99 115.29 106.81 2k5l s HIS 79 Ca -0.06 -0.31 0.22 0.00 -0.80 0.00 0.00 55.06 54.11 2k5l s HIS 79 Cb -0.03 -0.99 -0.04 0.00 -1.43 0.00 0.00 32.58 30.09 2k5l s HIS 79 CO 0.05 -0.01 0.98 1.58 -2.00 0.00 0.00 174.74 175.34 2k5l n HIS 80 N 2.53 0.87 -1.94 0.38 -0.00 -1.26 -5.31 115.22 110.50 2k5l n HIS 80 Ca -0.15 0.25 0.00 0.00 0.46 0.00 0.00 57.72 58.28 2k5l n HIS 80 Cb 0.54 -0.92 0.00 0.00 -0.12 0.00 0.00 29.99 29.49 2k5l n HIS 80 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38