#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 3.21 0.30 1.12 5.36 -1.26 -5.09 117.98 121.62 2k5l s PHE 2 Ca 0.00 -2.04 -0.14 0.00 -0.96 0.00 0.00 56.93 53.79 2k5l s PHE 2 Cb 0.00 -2.00 -0.09 0.00 -0.34 0.00 0.00 43.02 40.59 2k5l s PHE 2 CO 0.00 -0.83 0.70 -1.54 -1.46 0.00 0.00 175.22 172.09 2k5l s SER 3 N 1.19 6.77 0.54 6.13 1.04 -1.25 -1.35 113.70 126.77 2k5l s SER 3 Ca -0.06 1.23 0.29 0.00 0.48 0.00 0.00 55.95 57.89 2k5l s SER 3 Cb -0.19 -2.35 1.56 0.00 0.10 0.00 0.00 66.02 65.14 2k5l s SER 3 CO -0.04 -0.16 2.11 0.25 0.98 0.00 0.00 173.24 176.38 2k5l h LEU 4 N 2.42 0.00 -1.26 2.42 5.85 -0.96 -1.68 115.31 122.11 2k5l h LEU 4 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2k5l h LEU 4 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2k5l h LEU 4 CO 0.66 0.09 0.00 -0.09 -0.34 0.00 0.00 178.44 178.76 2k5l h ARG 5 N 0.00 0.00 0.00 1.25 1.12 -1.82 -2.53 114.38 112.40 2k5l h ARG 5 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2k5l h ARG 5 Cb 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.24 2k5l h ARG 5 CO 0.01 0.00 -0.54 -3.47 -3.11 0.00 0.00 179.97 172.86 2k5l n ASP 6 N -2.93 0.61 -4.77 -3.80 -0.08 -0.63 -4.86 116.55 100.09 2k5l n ASP 6 Ca 0.01 0.06 -0.39 0.00 -1.51 0.00 0.00 54.79 52.96 2k5l n ASP 6 Cb 0.30 0.12 -0.03 0.00 2.34 0.00 0.00 41.12 43.86 2k5l n ASP 6 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k5l s ALA 7 N -3.11 3.22 0.19 -1.67 0.00 -0.96 -5.03 121.76 114.40 2k5l s ALA 7 Ca 0.08 0.93 0.04 0.00 0.00 0.00 0.00 51.96 53.01 2k5l s ALA 7 Cb 0.15 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 2k5l s ALA 7 CO 0.70 -0.41 0.29 0.15 0.00 0.00 0.00 175.76 176.49 2k5l s LYS 8 N -2.11 3.34 0.05 0.00 -0.14 -1.26 -4.96 119.74 114.66 2k5l s LYS 8 Ca 0.54 -0.72 -0.31 0.00 -1.36 0.00 0.00 55.97 54.12 2k5l s LYS 8 Cb -0.30 -2.87 -0.07 0.00 -1.68 0.00 0.00 37.83 32.90 2k5l s LYS 8 CO 0.38 0.48 1.55 0.00 -0.76 0.00 0.00 175.35 177.00 2k5l n GLY 10 N 3.84 0.76 3.86 0.00 0.00 0.33 -4.96 105.19 109.02 2k5l n GLY 10 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.49 2.71 -0.13 1.61 -0.21 -1.02 -4.97 119.66 117.17 2k5l s GLN 11 Ca 0.00 -1.31 0.01 0.00 0.02 0.00 0.00 55.36 54.08 2k5l s GLN 11 Cb 0.00 -2.47 0.02 0.00 1.00 0.00 0.00 33.01 31.55 2k5l s GLN 11 CO 0.00 0.07 -0.14 0.99 -2.12 0.00 0.00 175.29 174.09 2k5l s THR 12 N -2.32 1.47 0.45 -0.19 2.01 -1.26 -1.91 115.64 113.90 2k5l s THR 12 Ca 0.42 -0.59 0.06 0.00 0.31 0.00 0.00 61.69 61.88 2k5l s THR 12 Cb -0.06 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 2k5l s THR 12 CO 0.27 0.44 0.18 0.68 -0.69 0.00 0.00 174.62 175.50 2k5l s VAL 13 N 1.31 1.95 -0.06 3.82 -7.23 0.50 -3.89 120.40 116.80 2k5l s VAL 13 Ca 0.00 -1.73 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 2k5l s VAL 13 Cb -0.14 -2.69 0.01 0.00 0.56 0.00 0.00 36.38 34.12 2k5l s VAL 13 CO -0.07 0.00 -0.14 -0.75 -0.31 0.00 0.00 175.10 173.83 2k5l s LYS 14 N -3.96 1.78 -0.34 4.82 2.20 -0.23 0.15 119.74 124.16 2k5l s LYS 14 Ca 0.33 -0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 55.15 2k5l s LYS 14 Cb 0.03 -1.48 0.01 0.00 -1.51 0.00 0.00 37.83 34.88 2k5l s LYS 14 CO 0.18 0.11 1.21 0.08 -0.36 0.00 0.00 175.35 176.58 2k5l s VAL 15 N 0.42 4.25 -0.14 4.02 1.01 0.11 -1.14 120.40 128.93 2k5l s VAL 15 Ca -0.11 1.39 0.02 0.00 0.00 0.00 0.00 61.98 63.28 2k5l s VAL 15 Cb -0.14 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.83 2k5l s VAL 15 CO 0.03 -0.58 -0.11 1.33 0.00 0.00 0.00 175.10 175.77 2k5l n VAL 16 N 6.26 0.84 -3.95 2.92 0.24 -0.75 0.41 118.33 124.30 2k5l n VAL 16 Ca 0.14 -0.34 -0.09 0.00 -2.04 0.00 0.00 64.34 62.00 2k5l n VAL 16 Cb 0.47 -0.99 -0.10 0.00 -1.47 0.00 0.00 33.84 31.75 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 -2.29 0.48 -0.18 7.34 2.20 -0.64 -4.75 119.74 121.88 2k5l s LYS 17 Ca -0.19 -0.70 -0.02 0.00 -0.36 0.00 0.00 55.97 54.71 2k5l s LYS 17 Cb 0.05 0.18 0.05 0.00 -1.51 0.00 0.00 37.83 36.61 2k5l s LYS 17 CO 0.35 -0.10 0.00 -0.51 -0.36 0.00 0.00 175.35 174.73 2k5l s LEU 18 N -1.86 1.44 0.00 5.43 1.43 -1.26 -0.78 118.68 123.08 2k5l s LEU 18 Ca -0.09 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 2k5l s LEU 18 Cb -0.04 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.44 2k5l s LEU 18 CO -0.03 -0.26 0.00 1.41 0.23 0.00 0.00 176.35 177.70 2k5l n HIS 19 N 4.96 0.00 -3.98 0.29 8.25 -0.85 -4.93 115.22 118.95 2k5l n HIS 19 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2k5l n HIS 19 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 2k5l n HIS 19 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k5l n GLY 20 N 2.78 1.98 0.17 -1.41 0.00 -1.19 -3.55 105.19 103.97 2k5l n GLY 20 Ca 0.00 -0.45 0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 1.40 0.00 2.61 -2.24 -1.26 -5.00 114.28 109.79 2k5l n THR 21 Ca 0.00 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.29 2k5l n THR 21 Cb 0.00 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.70 1.99 0.25 3.38 0.00 -1.23 -4.58 105.19 104.30 2k5l n GLY 22 Ca 0.08 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 1.53 -0.17 4.61 0.00 -1.94 -0.90 119.26 122.38 2k5l h ALA 23 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2k5l h ALA 23 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2k5l h ALA 23 CO 0.00 0.18 -0.38 1.25 0.00 0.00 0.00 179.25 180.30 2k5l h LEU 24 N 0.00 0.39 -0.35 0.00 5.85 -1.93 -3.03 115.31 116.25 2k5l h LEU 24 Ca -0.00 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 2k5l h LEU 24 Cb 0.30 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2k5l h LEU 24 CO 0.02 0.74 0.21 0.11 -0.34 0.00 0.00 178.44 179.18 2k5l h LYS 25 N 0.32 0.48 -0.81 1.25 1.57 -1.47 -1.07 116.57 116.85 2k5l h LYS 25 Ca 0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2k5l h LYS 25 Cb 0.81 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 2k5l h LYS 25 CO 0.07 0.38 0.46 -0.09 -0.57 0.00 0.00 179.45 179.69 2k5l h ARG 26 N 0.45 1.11 -0.67 3.15 9.65 -1.53 -1.11 114.38 125.44 2k5l h ARG 26 Ca 0.13 -0.12 -0.03 0.00 -1.10 0.00 0.00 59.98 58.86 2k5l h ARG 26 Cb 0.02 -0.22 -0.03 0.00 -1.39 0.00 0.00 29.97 28.35 2k5l h ARG 26 CO -0.02 0.81 0.31 -0.09 2.80 0.00 0.00 179.97 183.78 2k5l h ARG 27 N 1.11 0.98 -0.31 0.20 2.43 -1.31 -0.75 114.38 116.73 2k5l h ARG 27 Ca 0.29 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2k5l h ARG 27 Cb 0.01 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2k5l h ARG 27 CO -0.05 0.79 0.05 0.82 -1.51 0.00 0.00 179.97 180.07 2k5l h ILE 28 N 0.94 1.23 -0.21 1.20 2.04 -0.87 -2.95 117.51 118.90 2k5l h ILE 28 Ca 0.23 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 2k5l h ILE 28 Cb 0.15 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2k5l h ILE 28 CO -0.03 0.26 -0.05 0.24 0.00 0.00 0.00 178.15 178.58 2k5l h MET 29 N 0.34 0.31 -0.62 2.37 2.86 -0.83 -1.93 114.93 117.43 2k5l h MET 29 Ca 0.09 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 2k5l h MET 29 Cb 0.34 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 2k5l h MET 29 CO 0.01 0.38 0.41 0.22 1.06 0.00 0.00 176.91 178.99 2k5l h ASP 30 N 0.30 0.61 0.39 1.22 1.82 -0.96 -0.76 116.42 119.04 2k5l h ASP 30 Ca 0.07 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2k5l h ASP 30 Cb 0.28 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.15 2k5l h ASP 30 CO 0.01 0.41 0.00 0.23 -1.61 0.00 0.00 179.24 178.29 2k5l n MET 31 N -4.47 0.45 0.00 0.28 2.81 -0.74 -4.82 117.12 110.62 2k5l n MET 31 Ca 0.08 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 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 0.82 0.70 3.41 3.03 0.00 -0.29 -5.06 105.19 107.80 2k5l n GLY 32 Ca 0.13 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 -0.42 0.00 0.00 0.00 173.32 172.90 2k5l s ILE 33 N -2.00 5.07 0.32 -0.61 -1.09 -1.10 -5.00 121.20 116.79 2k5l s ILE 33 Ca 0.00 -0.88 0.04 0.00 -2.23 0.00 0.00 60.65 57.59 2k5l s ILE 33 Cb 0.00 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 2k5l s ILE 33 CO 0.00 -0.40 0.19 0.28 -1.23 0.00 0.00 174.94 173.78 2k5l s THR 34 N 1.63 0.22 -0.15 2.92 -1.32 -1.26 -2.38 115.64 115.30 2k5l s THR 34 Ca 0.04 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.23 2k5l s THR 34 Cb -0.21 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.26 2k5l s THR 34 CO 0.08 0.00 1.60 -0.13 -2.21 0.00 0.00 174.62 173.96 2k5l s ARG 35 N -3.71 3.97 0.00 7.08 0.52 -1.26 -2.14 118.95 123.42 2k5l s ARG 35 Ca 0.36 1.86 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 2k5l s ARG 35 Cb 0.04 -3.99 0.00 0.00 0.52 0.00 0.00 34.95 31.52 2k5l s ARG 35 CO 0.20 -1.08 0.00 0.41 0.02 0.00 0.00 175.30 174.85 2k5l n GLY 36 N 4.36 1.49 3.86 -3.53 0.00 0.17 -4.97 105.19 106.57 2k5l n GLY 36 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.51 3.60 -0.14 0.00 -1.05 -1.26 -0.71 118.70 116.64 2k5l s GLU 38 Ca 0.44 -0.03 0.00 0.00 -0.15 0.00 0.00 54.97 55.23 2k5l s GLU 38 Cb -0.13 -3.09 0.02 0.00 -0.44 0.00 0.00 34.13 30.50 2k5l s GLU 38 CO 0.20 0.66 -0.12 0.42 0.95 0.00 0.00 175.26 177.37 2k5l s ILE 39 N -1.27 1.39 -0.45 1.83 1.01 0.12 -4.85 121.20 118.97 2k5l s ILE 39 Ca 0.27 -0.52 -0.18 0.00 0.00 0.00 0.00 60.65 60.22 2k5l s ILE 39 Cb -0.13 -1.33 0.04 0.00 0.01 0.00 0.00 42.46 41.05 2k5l s ILE 39 CO 0.15 0.43 0.51 -0.47 0.00 0.00 0.00 174.94 175.56 2k5l s TYR 40 N 1.55 3.13 -0.07 3.97 5.04 -1.23 -0.37 117.35 129.36 2k5l s TYR 40 Ca 0.05 -0.45 -0.30 0.00 -2.44 0.00 0.00 57.07 53.93 2k5l s TYR 40 Cb -0.13 -3.16 -0.02 0.00 0.35 0.00 0.00 41.96 38.99 2k5l s TYR 40 CO -0.10 -0.83 1.11 0.42 -1.34 0.00 0.00 175.55 174.82 2k5l s ILE 41 N 2.30 4.49 -0.15 3.14 1.09 -0.80 -1.39 121.20 129.88 2k5l s ILE 41 Ca 0.13 1.79 -0.12 0.00 -1.10 0.00 0.00 60.65 61.35 2k5l s ILE 41 Cb -0.18 -4.15 -0.08 0.00 -1.06 0.00 0.00 42.46 36.99 2k5l s ILE 41 CO 0.13 0.01 0.00 0.03 -0.10 0.00 0.00 174.94 175.01 2k5l h ARG 42 N 7.27 0.00 -2.80 2.79 2.47 -0.23 0.96 114.38 124.84 2k5l h ARG 42 Ca -0.33 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.26 2k5l h ARG 42 Cb 1.16 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.23 2k5l h ARG 42 CO 0.87 0.30 -0.29 0.21 0.56 0.00 0.00 179.97 181.61 2k5l s LYS 43 N -2.15 0.42 -0.04 0.04 2.20 -1.14 -4.27 119.74 114.80 2k5l s LYS 43 Ca -0.16 0.57 0.06 0.00 -0.36 0.00 0.00 55.97 56.08 2k5l s LYS 43 Cb 0.02 0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.48 2k5l s LYS 43 CO 0.30 -0.08 -0.21 0.08 -0.36 0.00 0.00 175.35 175.08 2k5l s VAL 44 N 0.46 2.47 0.32 4.02 1.01 -1.26 -0.32 120.40 127.10 2k5l s VAL 44 Ca -0.02 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.78 2k5l s VAL 44 Cb -0.04 -1.92 -0.10 0.00 0.00 0.00 0.00 36.38 34.32 2k5l s VAL 44 CO -0.02 0.58 0.90 0.00 0.00 0.00 0.00 175.10 176.56 2k5l s ALA 45 N -0.50 3.23 0.66 5.51 0.00 -1.01 -4.94 121.76 124.70 2k5l s ALA 45 Ca 0.06 0.44 0.43 0.00 0.00 0.00 0.00 51.96 52.89 2k5l s ALA 45 Cb -0.11 -3.11 2.34 0.00 0.00 0.00 0.00 23.12 22.24 2k5l s ALA 45 CO 0.01 0.20 2.34 -1.35 0.00 0.00 0.00 175.76 176.96 2k5l h PRO 46 N 3.04 0.00 -0.04 0.00 0.11 -1.97 0.13 132.00 133.28 2k5l h PRO 46 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2k5l h PRO 46 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k5l h PRO 46 CO 0.65 0.00 0.00 1.47 -0.21 0.00 0.00 178.00 179.91 2k5l n LEU 47 N -3.13 2.59 0.00 2.35 -0.00 -1.26 -5.04 117.00 112.51 2k5l n LEU 47 Ca -0.03 -1.02 0.00 0.00 -0.00 0.00 0.00 56.01 54.96 2k5l n LEU 47 Cb 0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 2k5l n LEU 47 CO 0.20 0.46 0.00 0.61 -0.00 0.00 0.00 177.39 178.66 2k5l n GLY 48 N 1.06 1.73 3.83 1.47 0.00 0.46 -5.07 105.19 108.67 2k5l n GLY 48 Ca 0.11 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.00 5.13 0.21 1.61 -4.77 -1.26 -2.42 116.67 111.17 2k5l s ASP 49 Ca 0.00 -0.57 -0.30 0.00 -3.30 0.00 0.00 52.55 48.38 2k5l s ASP 49 Cb 0.00 -0.90 -0.08 0.00 -1.09 0.00 0.00 42.92 40.85 2k5l s ASP 49 CO 0.00 -0.36 1.08 -2.16 0.70 0.00 0.00 175.17 174.44 2k5l s PRO 50 N -3.97 4.63 -0.38 2.11 0.04 -1.26 -4.72 135.00 131.45 2k5l s PRO 50 Ca 0.40 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.98 2k5l s PRO 50 Cb -0.05 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.24 2k5l s PRO 50 CO 0.26 0.15 0.50 0.42 0.04 0.00 0.00 177.00 178.36 2k5l s ILE 51 N -0.56 5.02 -0.37 0.56 1.01 0.73 -3.89 121.20 123.70 2k5l s ILE 51 Ca 0.47 0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.90 2k5l s ILE 51 Cb -0.30 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.18 2k5l s ILE 51 CO 0.36 -0.33 1.13 -1.10 0.00 0.00 0.00 174.94 175.00 2k5l s GLN 52 N 2.35 3.94 -0.04 2.79 -1.52 0.56 -0.90 119.66 126.83 2k5l s GLN 52 Ca 0.17 0.94 0.06 0.00 -1.95 0.00 0.00 55.36 54.57 2k5l s GLN 52 Cb -0.16 -3.81 -0.01 0.00 -0.22 0.00 0.00 33.01 28.81 2k5l s GLN 52 CO 0.14 -1.08 -0.22 0.96 -0.25 0.00 0.00 175.29 174.84 2k5l s ILE 53 N 4.01 1.78 -0.35 1.08 -4.36 -0.14 0.55 121.20 123.76 2k5l s ILE 53 Ca 0.48 -0.92 -0.07 0.00 -0.26 0.00 0.00 60.65 59.87 2k5l s ILE 53 Cb -0.11 -1.50 0.04 0.00 1.25 0.00 0.00 42.46 42.13 2k5l s ILE 53 CO 0.21 0.50 0.13 0.21 0.24 0.00 0.00 174.94 176.23 2k5l s ASN 54 N -0.17 5.41 -0.02 4.36 3.84 -0.49 -0.28 114.94 127.59 2k5l s ASN 54 Ca -0.01 -1.13 0.01 0.00 0.21 0.00 0.00 52.86 51.94 2k5l s ASN 54 Cb -0.12 -1.90 0.01 0.00 -0.55 0.00 0.00 41.25 38.69 2k5l s ASN 54 CO 0.02 -0.35 -0.03 -0.69 -2.79 0.00 0.00 177.10 173.27 2k5l s VAL 55 N 1.43 0.33 -1.53 -5.21 1.01 -0.54 -3.57 120.40 112.32 2k5l s VAL 55 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.90 2k5l s VAL 55 Cb -0.20 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.84 2k5l s VAL 55 CO 0.04 0.14 0.00 0.54 0.00 0.00 0.00 175.10 175.82 2k5l n ARG 56 N 3.63 -1.28 0.00 2.72 5.12 -1.26 -1.10 116.66 124.48 2k5l n ARG 56 Ca -0.21 0.99 0.00 0.00 -1.93 0.00 0.00 57.85 56.71 2k5l n ARG 56 Cb 0.54 -5.23 0.00 0.00 -1.16 0.00 0.00 32.46 26.60 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 -0.64 1.83 3.77 -0.13 0.00 -1.26 -5.04 105.19 103.72 2k5l n GLY 57 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.33 3.76 -0.39 1.61 2.02 -0.26 -5.04 117.35 116.72 2k5l s TYR 58 Ca 0.00 1.35 -0.21 0.00 -0.37 0.00 0.00 57.07 57.84 2k5l s TYR 58 Cb 0.00 -2.65 0.01 0.00 -0.40 0.00 0.00 41.96 38.92 2k5l s TYR 58 CO 0.00 0.42 0.68 -1.83 -1.57 0.00 0.00 175.55 173.26 2k5l s GLU 59 N -0.55 3.56 -0.17 -0.62 1.03 -1.26 -1.46 118.70 119.22 2k5l s GLU 59 Ca 0.33 -0.03 -0.04 0.00 0.03 0.00 0.00 54.97 55.26 2k5l s GLU 59 Cb -0.20 -3.86 -0.02 0.00 -0.80 0.00 0.00 34.13 29.25 2k5l s GLU 59 CO 0.20 -0.88 -0.04 -0.51 -1.33 0.00 0.00 175.26 172.71 2k5l s LEU 60 N 2.89 3.17 -0.50 1.83 1.43 0.61 -4.97 118.68 123.13 2k5l s LEU 60 Ca 0.26 -0.19 -0.19 0.00 -1.03 0.00 0.00 54.13 52.98 2k5l s LEU 60 Cb -0.14 -1.77 0.06 0.00 0.03 0.00 0.00 46.19 44.37 2k5l s LEU 60 CO 0.17 0.13 0.63 -0.44 0.23 0.00 0.00 176.35 177.07 2k5l s SER 61 N 0.61 6.23 -0.14 2.29 0.01 -1.26 -0.97 113.70 120.48 2k5l s SER 61 Ca -0.03 -0.87 -0.05 0.00 1.31 0.00 0.00 55.95 56.32 2k5l s SER 61 Cb -0.14 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.76 2k5l s SER 61 CO 0.02 -0.89 0.03 -0.22 0.41 0.00 0.00 173.24 172.59 2k5l s LEU 62 N 2.67 3.69 0.33 2.44 2.96 -0.08 -4.85 118.68 125.84 2k5l s LEU 62 Ca 0.16 0.11 -0.27 0.00 -0.22 0.00 0.00 54.13 53.91 2k5l s LEU 62 Cb -0.19 -1.89 -0.09 0.00 0.50 0.00 0.00 46.19 44.52 2k5l s LEU 62 CO 0.12 0.27 1.08 -0.13 -1.32 0.00 0.00 176.35 176.38 2k5l s ARG 63 N -0.24 4.43 0.48 1.98 3.00 -1.26 -0.19 118.95 127.14 2k5l s ARG 63 Ca 0.07 1.69 0.25 0.00 0.00 0.00 0.00 55.73 57.73 2k5l s ARG 63 Cb -0.12 -2.92 1.19 0.00 0.00 0.00 0.00 34.95 33.10 2k5l s ARG 63 CO 0.02 0.06 1.96 1.57 0.00 0.00 0.00 175.30 178.90 2k5l h LYS 64 N 3.26 0.00 -0.91 3.54 2.10 -1.93 -1.96 116.57 120.67 2k5l h LYS 64 Ca -0.47 0.00 0.17 0.00 -2.00 0.00 0.00 60.65 58.35 2k5l h LYS 64 Cb 1.21 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.47 2k5l h LYS 64 CO 0.65 0.19 0.59 0.77 -2.00 0.00 0.00 179.45 179.64 2k5l h SER 65 N 0.00 0.56 0.00 7.07 0.02 -1.99 0.25 113.55 119.46 2k5l h SER 65 Ca -0.00 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2k5l h SER 65 Cb 0.52 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2k5l h SER 65 CO 0.02 0.25 -0.00 0.00 -1.14 0.00 0.00 176.83 175.96 2k5l h ALA 66 N 1.61 -0.00 0.00 3.77 0.00 -1.76 -3.37 119.26 119.51 2k5l h ALA 66 Ca 0.47 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k5l h ALA 66 Cb 0.94 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2k5l h ALA 66 CO -0.22 -0.06 -0.07 0.00 0.00 0.00 0.00 179.25 178.91 2k5l h ALA 67 N 0.09 1.80 0.00 0.00 0.00 -0.98 -0.36 119.26 119.81 2k5l h ALA 67 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2k5l h ALA 67 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2k5l h ALA 67 CO 0.00 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.73 2k5l n GLU 68 N -4.34 0.10 -0.03 0.00 1.02 0.77 -1.59 120.64 116.57 2k5l n GLU 68 Ca -0.03 0.17 0.08 0.00 -0.02 0.00 0.00 57.16 57.36 2k5l n GLU 68 Cb 0.15 -1.64 0.08 0.00 -0.02 0.00 0.00 31.44 30.01 2k5l n GLU 68 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2k5l n MET 69 N -1.83 1.36 -3.31 3.49 2.81 -0.17 -4.82 117.12 114.66 2k5l n MET 69 Ca 0.05 -1.53 -0.38 0.00 -1.81 0.00 0.00 57.70 54.03 2k5l n MET 69 Cb 0.32 -1.31 -0.06 0.00 -0.71 0.00 0.00 33.22 31.46 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 -1.26 5.06 -0.42 2.02 1.01 -1.04 -2.01 121.20 124.57 2k5l s ILE 70 Ca 0.20 1.03 -0.15 0.00 0.00 0.00 0.00 60.65 61.73 2k5l s ILE 70 Cb 0.13 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.79 2k5l s ILE 70 CO 0.20 0.41 0.33 -0.70 0.00 0.00 0.00 174.94 175.18 2k5l s GLU 71 N 0.02 2.99 0.26 2.79 2.56 0.04 -2.45 118.70 124.91 2k5l s GLU 71 Ca 0.27 -1.01 0.06 0.00 0.00 0.00 0.00 54.97 54.29 2k5l s GLU 71 Cb -0.16 -3.99 -0.06 0.00 2.00 0.00 0.00 34.13 31.92 2k5l s GLU 71 CO 0.13 -0.79 -0.06 0.14 -0.56 0.00 0.00 175.26 174.12 2k5l s VAL 72 N 1.75 1.54 0.03 3.70 -7.23 -0.46 -1.62 120.40 118.11 2k5l s VAL 72 Ca 0.06 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.19 2k5l s VAL 72 Cb -0.19 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 2k5l s VAL 72 CO 0.10 -0.33 -0.18 -1.83 -0.31 0.00 0.00 175.10 172.55 2k5l s GLU 73 N -3.75 2.10 -0.21 4.82 -1.05 -0.29 -4.54 118.70 115.79 2k5l s GLU 73 Ca 0.29 -0.96 -0.05 0.00 -0.15 0.00 0.00 54.97 54.10 2k5l s GLU 73 Cb 0.04 -2.19 -0.10 0.00 -0.44 0.00 0.00 34.13 31.44 2k5l s GLU 73 CO 0.11 0.55 3.13 -0.11 0.95 0.00 0.00 175.26 179.89 2k5l n LEU 74 N 1.66 5.82 -2.80 1.83 -0.00 -1.26 -1.07 117.00 121.18 2k5l n LEU 74 Ca -0.16 -3.54 -0.00 0.00 -0.00 0.00 0.00 56.01 52.31 2k5l n LEU 74 Cb 0.52 -1.31 -0.00 0.00 -0.00 0.00 0.00 43.42 42.62 2k5l n LEU 74 CO 0.26 1.67 -0.51 1.21 -0.00 0.00 0.00 177.39 180.02 2k5l n GLU 75 N 1.67 -3.03 0.00 1.96 0.00 -1.25 -4.94 120.64 115.05 2k5l n GLU 75 Ca 0.43 2.50 0.00 0.00 0.00 0.00 0.00 57.16 60.09 2k5l n GLU 75 Cb 0.73 -4.56 0.00 0.00 0.00 0.00 0.00 31.44 27.61 2k5l n GLU 75 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2k5l n HIS 76 N 0.92 0.00 -1.93 4.31 -0.00 -1.26 -5.00 115.22 112.26 2k5l n HIS 76 Ca -0.03 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.73 2k5l n HIS 76 Cb 0.14 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.01 2k5l n HIS 76 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2k5l n HIS 77 N -0.74 3.50 -3.66 1.57 -0.00 -1.26 -4.67 115.22 109.96 2k5l n HIS 77 Ca 0.00 -2.94 -0.22 0.00 -0.00 0.00 0.00 57.72 54.56 2k5l n HIS 77 Cb 0.00 -2.43 0.01 0.00 -0.00 0.00 0.00 29.99 27.57 2k5l n HIS 77 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k5l n HIS 78 N 5.75 -2.16 -3.46 1.57 -0.00 -1.26 -4.97 115.22 110.69 2k5l n HIS 78 Ca 0.49 0.80 -0.27 0.00 0.46 0.00 0.00 57.72 59.20 2k5l n HIS 78 Cb 0.39 -3.09 -0.11 0.00 -0.12 0.00 0.00 29.99 27.07 2k5l n HIS 78 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k5l s HIS 79 N -3.07 1.32 0.10 1.57 5.65 -1.26 -5.11 115.29 114.48 2k5l s HIS 79 Ca 0.08 -2.34 -0.31 0.00 0.25 0.00 0.00 55.06 52.73 2k5l s HIS 79 Cb -0.04 -1.13 -0.08 0.00 -1.18 0.00 0.00 32.58 30.15 2k5l s HIS 79 CO 0.87 -0.80 1.52 -1.58 -0.65 0.00 0.00 174.74 174.10 2k5l s HIS 80 N 0.05 2.89 -0.03 3.88 2.46 -1.26 -5.00 115.29 118.28 2k5l s HIS 80 Ca 0.30 0.65 0.00 0.00 0.47 0.00 0.00 55.06 56.48 2k5l s HIS 80 Cb -0.01 -3.83 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 2k5l s HIS 80 CO -0.16 -3.11 0.51 1.58 -2.47 0.00 0.00 174.74 171.08