#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 3.13 0.53 3.17 5.36 -1.26 -5.09 117.98 123.83 2k5l s PHE 2 Ca 0.00 -2.19 -0.07 0.00 -0.96 0.00 0.00 56.93 53.71 2k5l s PHE 2 Cb 0.00 -1.90 -0.03 0.00 -0.34 0.00 0.00 43.02 40.74 2k5l s PHE 2 CO 0.00 -0.86 0.86 -1.54 -1.46 0.00 0.00 175.22 172.22 2k5l s SER 3 N 1.15 6.19 0.35 6.13 1.04 -1.26 -0.17 113.70 127.13 2k5l s SER 3 Ca -0.07 1.04 0.10 0.00 0.48 0.00 0.00 55.95 57.51 2k5l s SER 3 Cb -0.19 -2.26 0.64 0.00 0.10 0.00 0.00 66.02 64.31 2k5l s SER 3 CO -0.06 -0.70 1.80 0.25 0.98 0.00 0.00 173.24 175.50 2k5l h LEU 4 N 0.04 0.13 0.00 2.42 5.85 -0.21 -1.83 115.31 121.71 2k5l h LEU 4 Ca -0.46 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2k5l h LEU 4 Cb 1.21 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2k5l h LEU 4 CO 0.62 0.47 0.00 -2.11 -0.34 0.00 0.00 178.44 177.07 2k5l n ARG 5 N -4.10 0.24 -0.01 1.25 -4.01 -0.61 -2.26 116.66 107.15 2k5l n ARG 5 Ca -0.02 0.10 0.13 0.00 -1.04 0.00 0.00 57.85 57.02 2k5l n ARG 5 Cb 0.41 -1.50 0.26 0.00 -3.04 0.00 0.00 32.46 28.59 2k5l n ARG 5 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2k5l n ASP 6 N -1.33 2.45 -4.75 2.89 2.03 -0.69 -4.88 116.55 112.27 2k5l n ASP 6 Ca 0.09 -1.81 -0.39 0.00 0.52 0.00 0.00 54.79 53.20 2k5l n ASP 6 Cb 0.18 -0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 40.51 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 -1.98 3.45 0.67 -1.67 0.00 -0.96 -4.98 121.76 116.29 2k5l s ALA 7 Ca 0.32 0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.23 2k5l s ALA 7 Cb 0.20 -2.80 -0.01 0.00 0.00 0.00 0.00 23.12 20.52 2k5l s ALA 7 CO 0.31 0.09 1.06 0.15 0.00 0.00 0.00 175.76 177.38 2k5l s LYS 8 N 0.07 3.14 0.19 0.00 -0.14 -1.26 -4.96 119.74 116.78 2k5l s LYS 8 Ca 0.33 0.68 -0.31 0.00 -1.36 0.00 0.00 55.97 55.31 2k5l s LYS 8 Cb -0.18 -2.03 -0.10 0.00 -1.68 0.00 0.00 37.83 33.84 2k5l s LYS 8 CO 0.17 -0.88 1.47 0.00 -0.76 0.00 0.00 175.35 175.35 2k5l n GLY 10 N 3.01 0.72 3.68 0.00 0.00 0.08 -5.05 105.19 107.63 2k5l n GLY 10 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 2.67 -0.31 1.61 -0.21 -1.14 -4.92 119.66 116.62 2k5l s GLN 11 Ca 0.00 -0.71 -0.10 0.00 0.02 0.00 0.00 55.36 54.57 2k5l s GLN 11 Cb 0.00 -2.60 -0.00 0.00 1.00 0.00 0.00 33.01 31.40 2k5l s GLN 11 CO 0.00 0.59 0.15 0.99 -2.12 0.00 0.00 175.29 174.90 2k5l s THR 12 N -1.17 4.56 0.17 -0.19 2.01 -1.26 -0.85 115.64 118.91 2k5l s THR 12 Ca 0.22 -0.47 0.09 0.00 0.31 0.00 0.00 61.69 61.84 2k5l s THR 12 Cb -0.12 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 2k5l s THR 12 CO 0.13 0.05 -0.12 0.68 -0.69 0.00 0.00 174.62 174.67 2k5l s VAL 13 N 1.60 3.08 -0.17 3.82 -7.23 -0.21 -3.94 120.40 117.35 2k5l s VAL 13 Ca 0.04 -1.66 -0.04 0.00 -1.81 0.00 0.00 61.98 58.51 2k5l s VAL 13 Cb -0.17 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 2k5l s VAL 13 CO 0.06 -0.08 -0.03 -0.75 -0.31 0.00 0.00 175.10 174.00 2k5l s LYS 14 N -2.71 3.66 0.05 4.82 2.20 -0.62 0.78 119.74 127.91 2k5l s LYS 14 Ca 0.24 -0.52 -0.31 0.00 -0.36 0.00 0.00 55.97 55.02 2k5l s LYS 14 Cb -0.09 -2.97 -0.06 0.00 -1.51 0.00 0.00 37.83 33.20 2k5l s LYS 14 CO 0.14 0.17 1.36 0.08 -0.36 0.00 0.00 175.35 176.74 2k5l s VAL 15 N 0.55 3.64 -0.10 4.02 1.01 0.21 -0.30 120.40 129.44 2k5l s VAL 15 Ca -0.02 1.12 -0.00 0.00 0.00 0.00 0.00 61.98 63.07 2k5l s VAL 15 Cb -0.14 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 2k5l s VAL 15 CO 0.02 0.04 -0.09 1.33 0.00 0.00 0.00 175.10 176.41 2k5l n VAL 16 N 4.28 0.55 -3.90 2.92 0.24 -0.42 -0.21 118.33 121.79 2k5l n VAL 16 Ca 0.12 -0.20 -0.10 0.00 -2.04 0.00 0.00 64.34 62.12 2k5l n VAL 16 Cb 0.44 -0.97 -0.09 0.00 -1.47 0.00 0.00 33.84 31.75 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 -2.19 0.57 -0.12 7.34 1.02 -1.04 -4.75 119.74 120.58 2k5l s LYS 17 Ca -0.13 -0.63 0.02 0.00 0.02 0.00 0.00 55.97 55.25 2k5l s LYS 17 Cb 0.04 0.23 0.02 0.00 -0.52 0.00 0.00 37.83 37.59 2k5l s LYS 17 CO 0.22 -0.15 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.83 2k5l s LEU 18 N -1.89 1.79 0.23 3.17 1.43 -1.26 -0.99 118.68 121.16 2k5l s LEU 18 Ca -0.08 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.50 2k5l s LEU 18 Cb -0.03 -1.17 -0.06 0.00 0.03 0.00 0.00 46.19 44.96 2k5l s LEU 18 CO -0.03 0.01 0.49 -1.00 0.23 0.00 0.00 176.35 176.06 2k5l s HIS 19 N 1.04 3.46 0.00 0.29 3.76 0.55 -5.01 115.29 119.39 2k5l s HIS 19 Ca -0.05 0.64 0.00 0.00 -0.15 0.00 0.00 55.06 55.50 2k5l s HIS 19 Cb -0.15 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.46 2k5l s HIS 19 CO -0.03 0.28 0.00 0.41 -0.85 0.00 0.00 174.74 174.55 2k5l n GLY 20 N -0.49 3.85 2.48 -2.22 0.00 -1.26 -4.53 105.19 103.01 2k5l n GLY 20 Ca -0.02 -1.32 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 2k5l n GLY 20 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k5l n THR 21 N -1.67 4.33 0.00 2.61 5.66 -1.26 -4.78 114.28 119.18 2k5l n THR 21 Ca 0.00 -3.67 0.00 0.00 -3.05 0.00 0.00 64.05 57.33 2k5l n THR 21 Cb 0.00 -1.85 0.00 0.00 -1.55 0.00 0.00 70.33 66.93 2k5l n THR 21 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k5l n GLY 22 N 1.35 1.47 0.29 1.09 0.00 -1.26 -4.38 105.19 103.75 2k5l n GLY 22 Ca 0.56 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.51 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 0.93 -0.56 4.61 0.00 -2.00 -0.43 119.26 121.81 2k5l h ALA 23 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2k5l h ALA 23 Cb 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2k5l h ALA 23 CO 0.00 0.41 0.26 1.25 0.00 0.00 0.00 179.25 181.17 2k5l h LEU 24 N 1.00 0.74 -0.32 0.00 5.85 -1.91 -1.56 115.31 119.11 2k5l h LEU 24 Ca 0.26 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2k5l h LEU 24 Cb -0.02 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2k5l h LEU 24 CO -0.05 0.67 0.21 0.11 -0.34 0.00 0.00 178.44 179.04 2k5l h LYS 25 N 0.76 0.42 -0.50 1.25 1.57 -1.61 -1.92 116.57 116.54 2k5l h LYS 25 Ca 0.19 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2k5l h LYS 25 Cb 0.13 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2k5l h LYS 25 CO -0.02 0.28 0.31 -0.09 -0.57 0.00 0.00 179.45 179.35 2k5l h ARG 26 N 0.43 0.60 -0.13 3.15 2.43 -0.88 -0.61 114.38 119.37 2k5l h ARG 26 Ca 0.12 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2k5l h ARG 26 Cb -0.05 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 2k5l h ARG 26 CO -0.03 0.40 -0.13 0.00 -1.51 0.00 0.00 179.97 178.70 2k5l h ARG 27 N 0.62 -0.15 -0.55 0.20 3.08 -1.00 0.29 114.38 116.87 2k5l h ARG 27 Ca 0.20 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.31 2k5l h ARG 27 Cb -0.01 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 2k5l h ARG 27 CO -0.08 -0.10 0.28 0.82 -1.07 0.00 0.00 179.97 179.82 2k5l h ILE 28 N -0.16 0.95 0.00 2.04 2.04 -0.91 -1.83 117.51 119.65 2k5l h ILE 28 Ca 0.09 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.67 2k5l h ILE 28 Cb 0.29 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2k5l h ILE 28 CO -0.23 0.10 -0.49 0.24 0.00 0.00 0.00 178.15 177.78 2k5l h MET 29 N 0.54 0.00 -0.74 2.37 2.86 -0.67 -1.98 114.93 117.30 2k5l h MET 29 Ca 0.24 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 2k5l h MET 29 Cb 0.15 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 2k5l h MET 29 CO -0.17 0.49 0.36 0.22 1.06 0.00 0.00 176.91 178.87 2k5l h ASP 30 N 0.00 0.94 0.90 1.22 1.82 0.42 -0.07 116.42 121.65 2k5l h ASP 30 Ca -0.00 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 2k5l h ASP 30 Cb 0.90 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.67 2k5l h ASP 30 CO 0.06 0.79 0.00 0.24 -1.61 0.00 0.00 179.24 178.72 2k5l h MET 31 N 1.04 0.00 0.00 0.28 2.86 -1.30 -3.46 114.93 114.35 2k5l h MET 31 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 2k5l h MET 31 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2k5l h MET 31 CO -0.03 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.35 2k5l n GLY 32 N 0.01 1.22 3.57 8.32 0.00 -0.04 -4.92 105.19 113.36 2k5l n GLY 32 Ca 0.01 0.00 -0.43 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 4.27 0.33 -0.61 -1.09 -0.76 -4.94 121.20 116.40 2k5l s ILE 33 Ca 0.00 0.89 0.05 0.00 -2.23 0.00 0.00 60.65 59.35 2k5l s ILE 33 Cb 0.00 -4.57 -0.02 0.00 -1.58 0.00 0.00 42.46 36.29 2k5l s ILE 33 CO 0.00 -1.04 0.33 1.07 -1.23 0.00 0.00 174.94 174.07 2k5l n THR 34 N 6.60 0.00 -2.48 2.92 5.66 -1.26 -2.65 114.28 123.06 2k5l n THR 34 Ca 0.08 -2.17 -0.42 0.00 -3.05 0.00 0.00 64.05 58.48 2k5l n THR 34 Cb 0.49 1.15 -0.03 0.00 -1.55 0.00 0.00 70.33 70.39 2k5l n THR 34 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2k5l s ARG 35 N -3.15 4.37 0.00 1.09 3.00 -1.26 -3.14 118.95 119.86 2k5l s ARG 35 Ca 0.36 1.65 0.00 0.00 0.00 0.00 0.00 55.73 57.73 2k5l s ARG 35 Cb 0.01 -3.54 0.00 0.00 0.00 0.00 0.00 34.95 31.42 2k5l s ARG 35 CO 0.25 -0.41 0.00 0.41 0.00 0.00 0.00 175.30 175.55 2k5l n GLY 36 N 3.32 0.89 3.84 -3.53 0.00 0.70 -5.00 105.19 105.40 2k5l n GLY 36 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.11 4.36 -0.20 0.00 8.01 -1.26 -0.62 118.70 127.88 2k5l s GLU 38 Ca 0.16 0.54 0.01 0.00 0.01 0.00 0.00 54.97 55.69 2k5l s GLU 38 Cb -0.12 -3.44 0.02 0.00 -4.31 0.00 0.00 34.13 26.28 2k5l s GLU 38 CO 0.05 0.13 -0.16 0.42 0.01 0.00 0.00 175.26 175.70 2k5l s ILE 39 N 0.70 2.27 -0.36 -1.63 1.01 0.23 -4.95 121.20 118.47 2k5l s ILE 39 Ca 0.28 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 2k5l s ILE 39 Cb -0.16 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.31 2k5l s ILE 39 CO 0.12 0.43 1.07 -0.47 0.00 0.00 0.00 174.94 176.10 2k5l s TYR 40 N 1.29 3.07 -0.60 3.97 5.04 -1.25 -1.05 117.35 127.82 2k5l s TYR 40 Ca 0.03 1.05 -0.27 0.00 -2.44 0.00 0.00 57.07 55.44 2k5l s TYR 40 Cb -0.14 -3.85 0.01 0.00 0.35 0.00 0.00 41.96 38.33 2k5l s TYR 40 CO -0.10 -0.88 1.46 0.42 -1.34 0.00 0.00 175.55 175.10 2k5l s ILE 41 N 3.81 3.70 0.01 3.14 -1.09 -0.03 -1.45 121.20 129.30 2k5l s ILE 41 Ca 0.45 0.54 -0.26 0.00 -2.23 0.00 0.00 60.65 59.16 2k5l s ILE 41 Cb -0.11 -4.46 -0.16 0.00 -1.58 0.00 0.00 42.46 36.15 2k5l s ILE 41 CO 0.19 -1.27 1.21 -0.09 -1.23 0.00 0.00 174.94 173.76 2k5l h ARG 42 N 11.44 -0.56 -2.60 2.79 9.65 -1.05 0.25 114.38 134.30 2k5l h ARG 42 Ca -0.27 0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.54 2k5l h ARG 42 Cb 1.09 0.13 -0.25 0.00 -1.39 0.00 0.00 29.97 29.55 2k5l h ARG 42 CO 1.20 -0.26 -0.23 0.21 2.80 0.00 0.00 179.97 183.70 2k5l s LYS 43 N -4.73 0.47 -0.16 0.20 2.20 -1.01 -4.25 119.74 112.46 2k5l s LYS 43 Ca -0.14 0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 56.17 2k5l s LYS 43 Cb 0.02 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.41 2k5l s LYS 43 CO 0.51 -0.12 0.02 0.08 -0.36 0.00 0.00 175.35 175.49 2k5l s VAL 44 N 0.94 4.46 0.36 4.02 1.01 -1.26 -1.16 120.40 128.76 2k5l s VAL 44 Ca -0.06 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.51 2k5l s VAL 44 Cb -0.06 -2.97 -0.10 0.00 0.00 0.00 0.00 36.38 33.25 2k5l s VAL 44 CO -0.08 0.50 1.00 0.00 0.00 0.00 0.00 175.10 176.52 2k5l s ALA 45 N 0.13 3.16 0.35 5.51 0.00 -1.18 -4.93 121.76 124.79 2k5l s ALA 45 Ca 0.03 0.60 0.37 0.00 0.00 0.00 0.00 51.96 52.96 2k5l s ALA 45 Cb -0.13 -3.22 1.96 0.00 0.00 0.00 0.00 23.12 21.73 2k5l s ALA 45 CO 0.01 -0.00 2.13 -1.35 0.00 0.00 0.00 175.76 176.55 2k5l h PRO 46 N 2.84 0.00 -0.48 0.00 0.11 -1.95 0.67 132.00 133.18 2k5l h PRO 46 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2k5l h PRO 46 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2k5l h PRO 46 CO 0.64 0.00 0.00 1.47 -0.21 0.00 0.00 178.00 179.90 2k5l n LEU 47 N -2.82 3.48 0.00 2.35 -0.00 -1.26 -5.01 117.00 113.74 2k5l n LEU 47 Ca -0.02 -2.12 0.00 0.00 -0.00 0.00 0.00 56.01 53.87 2k5l n LEU 47 Cb 0.08 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 2k5l n LEU 47 CO 0.18 0.81 0.00 0.61 -0.00 0.00 0.00 177.39 178.99 2k5l n GLY 48 N 0.83 2.19 3.51 1.47 0.00 0.23 -5.00 105.19 108.41 2k5l n GLY 48 Ca 0.17 -0.68 -0.24 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 -2.81 2.86 0.29 1.61 1.47 -1.26 -3.09 116.67 115.75 2k5l s ASP 49 Ca 0.00 -1.40 -0.29 0.00 1.18 0.00 0.00 52.55 52.04 2k5l s ASP 49 Cb 0.00 -0.13 -0.10 0.00 -0.34 0.00 0.00 42.92 42.35 2k5l s ASP 49 CO 0.00 -0.58 1.20 -2.16 0.68 0.00 0.00 175.17 174.31 2k5l s PRO 50 N -3.83 4.50 -0.25 2.11 0.04 -1.26 -4.79 135.00 131.52 2k5l s PRO 50 Ca 0.35 2.00 -0.16 0.00 0.04 0.00 0.00 61.00 63.23 2k5l s PRO 50 Cb 0.09 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 2k5l s PRO 50 CO 0.16 0.00 0.42 0.42 0.04 0.00 0.00 177.00 178.04 2k5l s ILE 51 N -1.04 5.15 -0.29 0.56 1.01 -0.22 -3.98 121.20 122.39 2k5l s ILE 51 Ca 0.47 0.68 -0.19 0.00 0.00 0.00 0.00 60.65 61.62 2k5l s ILE 51 Cb -0.36 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 2k5l s ILE 51 CO 0.46 0.16 0.55 -1.10 0.00 0.00 0.00 174.94 175.01 2k5l s GLN 52 N 1.96 3.94 -0.04 2.79 -0.21 -0.31 -0.88 119.66 126.90 2k5l s GLN 52 Ca 0.17 0.23 0.07 0.00 0.02 0.00 0.00 55.36 55.85 2k5l s GLN 52 Cb -0.15 -3.70 -0.01 0.00 1.00 0.00 0.00 33.01 30.14 2k5l s GLN 52 CO 0.09 -0.47 -0.24 0.96 -2.12 0.00 0.00 175.29 173.51 2k5l s ILE 53 N 2.42 1.97 -0.42 1.08 -4.36 -0.54 -0.41 121.20 120.94 2k5l s ILE 53 Ca 0.22 -1.04 -0.18 0.00 -0.26 0.00 0.00 60.65 59.39 2k5l s ILE 53 Cb -0.15 -1.65 0.02 0.00 1.25 0.00 0.00 42.46 41.92 2k5l s ILE 53 CO 0.11 0.55 0.50 0.21 0.24 0.00 0.00 174.94 176.55 2k5l s ASN 54 N -0.31 6.24 -0.08 4.36 3.04 -0.53 0.15 114.94 127.82 2k5l s ASN 54 Ca 0.01 -0.53 -0.05 0.00 0.04 0.00 0.00 52.86 52.34 2k5l s ASN 54 Cb -0.12 -2.25 0.03 0.00 -1.54 0.00 0.00 41.25 37.37 2k5l s ASN 54 CO 0.02 -0.63 0.20 -0.69 -3.04 0.00 0.00 177.10 172.96 2k5l s VAL 55 N 2.36 -0.03 -1.41 -5.21 1.01 0.11 -3.86 120.40 113.37 2k5l s VAL 55 Ca 0.16 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2k5l s VAL 55 Cb -0.16 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.92 2k5l s VAL 55 CO 0.15 0.04 0.00 0.54 0.00 0.00 0.00 175.10 175.83 2k5l n ARG 56 N 3.71 -0.95 0.00 2.72 5.12 -1.26 -1.35 116.66 124.64 2k5l n ARG 56 Ca -0.20 0.95 0.00 0.00 -1.93 0.00 0.00 57.85 56.66 2k5l n ARG 56 Cb 0.55 -5.03 0.00 0.00 -1.16 0.00 0.00 32.46 26.82 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 -1.30 2.98 3.90 -0.13 0.00 -1.26 -5.02 105.19 104.36 2k5l n GLY 57 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.08 3.51 -0.31 1.61 2.02 -0.46 -5.07 117.35 116.57 2k5l s TYR 58 Ca 0.00 0.78 -0.03 0.00 -0.37 0.00 0.00 57.07 57.45 2k5l s TYR 58 Cb 0.00 -2.24 0.04 0.00 -0.40 0.00 0.00 41.96 39.36 2k5l s TYR 58 CO 0.00 -0.07 0.03 -1.21 -1.57 0.00 0.00 175.55 172.73 2k5l s GLU 59 N -4.14 2.53 0.23 -0.62 2.02 -1.26 0.04 118.70 117.51 2k5l s GLU 59 Ca 0.47 -1.21 -0.11 0.00 0.02 0.00 0.00 54.97 54.14 2k5l s GLU 59 Cb -0.10 -3.25 -0.07 0.00 0.10 0.00 0.00 34.13 30.80 2k5l s GLU 59 CO 0.36 -0.61 0.57 -0.51 0.02 0.00 0.00 175.26 175.09 2k5l s LEU 60 N 1.31 4.17 -0.45 1.80 1.43 0.12 -4.80 118.68 122.27 2k5l s LEU 60 Ca -0.04 0.97 -0.15 0.00 -1.03 0.00 0.00 54.13 53.89 2k5l s LEU 60 Cb -0.19 -3.69 0.06 0.00 0.03 0.00 0.00 46.19 42.39 2k5l s LEU 60 CO -0.00 -0.07 0.35 -0.44 0.23 0.00 0.00 176.35 176.42 2k5l s SER 61 N -2.29 6.09 -0.11 2.29 0.01 -1.26 -1.46 113.70 116.96 2k5l s SER 61 Ca 0.47 -1.21 -0.03 0.00 1.31 0.00 0.00 55.95 56.50 2k5l s SER 61 Cb -0.11 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 2k5l s SER 61 CO 0.21 -0.57 0.01 -0.22 0.41 0.00 0.00 173.24 173.07 2k5l s LEU 62 N 1.63 3.60 0.34 2.44 2.96 -0.06 -4.88 118.68 124.71 2k5l s LEU 62 Ca 0.04 0.12 -0.27 0.00 -0.22 0.00 0.00 54.13 53.80 2k5l s LEU 62 Cb -0.23 -1.84 -0.09 0.00 0.50 0.00 0.00 46.19 44.53 2k5l s LEU 62 CO 0.07 0.33 1.11 -0.60 -1.32 0.00 0.00 176.35 175.94 2k5l s ARG 63 N -0.61 4.38 0.41 1.98 6.06 -1.26 -1.05 118.95 128.86 2k5l s ARG 63 Ca 0.10 1.75 0.09 0.00 -2.50 0.00 0.00 55.73 55.17 2k5l s ARG 63 Cb -0.12 -2.91 0.89 0.00 0.06 0.00 0.00 34.95 32.87 2k5l s ARG 63 CO 0.02 -0.01 2.01 1.57 -2.50 0.00 0.00 175.30 176.39 2k5l h LYS 64 N 3.21 0.54 -0.60 5.12 2.10 -1.94 -1.77 116.57 123.23 2k5l h LYS 64 Ca -0.48 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2k5l h LYS 64 Cb 1.22 -0.12 -0.03 0.00 -0.90 0.00 0.00 32.23 32.40 2k5l h LYS 64 CO 0.65 0.36 0.39 0.66 -2.00 0.00 0.00 179.45 179.51 2k5l h SER 65 N 0.56 0.69 0.42 7.07 4.64 -1.99 -0.94 113.55 124.00 2k5l h SER 65 Ca 0.23 -0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.38 2k5l h SER 65 Cb 0.22 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2k5l h SER 65 CO -0.06 0.51 -0.63 0.00 -0.87 0.00 0.00 176.83 175.77 2k5l h ALA 66 N 1.21 0.83 0.00 5.18 0.00 -1.78 -2.80 119.26 121.91 2k5l h ALA 66 Ca 0.22 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2k5l h ALA 66 Cb -0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2k5l h ALA 66 CO -0.05 0.75 -0.03 0.00 0.00 0.00 0.00 179.25 179.92 2k5l h ALA 67 N 1.19 1.02 0.00 0.00 0.00 -0.58 -0.70 119.26 120.20 2k5l h ALA 67 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k5l h ALA 67 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2k5l h ALA 67 CO 0.10 0.04 -0.56 0.93 0.00 0.00 0.00 179.25 179.76 2k5l h GLU 68 N 0.00 0.00 0.00 0.00 5.08 -0.95 -1.40 114.58 117.31 2k5l h GLU 68 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k5l h GLU 68 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2k5l h GLU 68 CO 0.00 0.00 -0.54 1.98 -1.00 0.00 0.00 179.01 179.45 2k5l h MET 69 N 0.00 0.00 -5.35 2.33 4.05 -0.91 -3.45 114.93 111.60 2k5l h MET 69 Ca 0.00 0.00 -0.62 0.00 -0.28 0.00 0.00 59.70 58.80 2k5l h MET 69 Cb 0.85 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 31.54 2k5l h MET 69 CO 0.00 0.00 -0.50 0.42 0.23 0.00 0.00 176.91 177.06 2k5l s ILE 70 N -3.19 5.36 -0.04 1.77 1.01 -0.91 -0.33 121.20 124.87 2k5l s ILE 70 Ca 0.06 0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.87 2k5l s ILE 70 Cb 0.12 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 2k5l s ILE 70 CO 0.71 0.48 0.03 -1.83 0.00 0.00 0.00 174.94 174.33 2k5l s GLU 71 N 0.08 2.97 0.33 2.79 -1.05 -0.16 -1.04 118.70 122.62 2k5l s GLU 71 Ca 0.09 -0.47 0.04 0.00 -0.15 0.00 0.00 54.97 54.48 2k5l s GLU 71 Cb -0.11 -2.80 -0.03 0.00 -0.44 0.00 0.00 34.13 30.75 2k5l s GLU 71 CO -0.01 0.67 0.18 0.14 0.95 0.00 0.00 175.26 177.19 2k5l s VAL 72 N -1.04 0.31 0.03 1.83 -7.23 0.76 -1.31 120.40 113.76 2k5l s VAL 72 Ca 0.18 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.41 2k5l s VAL 72 Cb -0.12 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 2k5l s VAL 72 CO 0.08 0.00 -0.19 -1.83 -0.31 0.00 0.00 175.10 172.85 2k5l s GLU 73 N -3.72 1.31 -0.44 4.82 -1.05 0.59 -4.49 118.70 115.72 2k5l s GLU 73 Ca 0.34 -0.84 -0.29 0.00 -0.15 0.00 0.00 54.97 54.03 2k5l s GLU 73 Cb 0.04 -1.37 0.02 0.00 -0.44 0.00 0.00 34.13 32.38 2k5l s GLU 73 CO 0.19 0.35 1.25 -1.17 0.95 0.00 0.00 175.26 176.83 2k5l s LEU 74 N -1.02 3.63 -0.60 1.83 1.98 -1.26 -1.59 118.68 121.65 2k5l s LEU 74 Ca 0.06 0.65 -0.27 0.00 -2.89 0.00 0.00 54.13 51.68 2k5l s LEU 74 Cb -0.08 -3.55 0.00 0.00 0.66 0.00 0.00 46.19 43.23 2k5l s LEU 74 CO 0.01 -1.31 1.55 -0.70 -1.89 0.00 0.00 176.35 174.01 2k5l s GLU 75 N 4.62 3.06 0.00 1.98 2.56 -1.25 -4.65 118.70 125.02 2k5l s GLU 75 Ca 0.53 0.42 0.16 0.00 0.00 0.00 0.00 54.97 56.09 2k5l s GLU 75 Cb -0.10 -4.22 0.27 0.00 2.00 0.00 0.00 34.13 32.07 2k5l s GLU 75 CO 0.31 -2.23 1.10 1.58 -0.56 0.00 0.00 175.26 175.46 2k5l n HIS 76 N 10.60 0.00 0.12 5.30 -0.00 -1.26 -4.92 115.22 125.06 2k5l n HIS 76 Ca 0.14 -0.49 0.03 0.00 0.46 0.00 0.00 57.72 57.86 2k5l n HIS 76 Cb 0.50 0.08 0.41 0.00 -0.12 0.00 0.00 29.99 30.86 2k5l n HIS 76 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2k5l h HIS 77 N 0.62 0.25 -0.93 1.57 6.17 -1.99 -3.37 115.15 117.47 2k5l h HIS 77 Ca -0.34 -0.02 -0.61 0.00 0.71 0.00 0.00 60.37 60.10 2k5l h HIS 77 Cb 1.71 -0.07 -0.08 0.00 2.52 0.00 0.00 27.41 31.48 2k5l h HIS 77 CO 0.04 0.34 1.81 -1.58 0.71 0.00 0.00 177.93 179.26 2k5l s HIS 78 N -4.80 2.60 0.23 5.26 5.04 -1.26 -3.80 115.29 118.57 2k5l s HIS 78 Ca -0.06 -1.12 0.00 0.00 -1.54 0.00 0.00 55.06 52.34 2k5l s HIS 78 Cb 0.16 -4.67 0.00 0.00 0.04 0.00 0.00 32.58 28.11 2k5l s HIS 78 CO 0.73 -1.83 0.00 1.58 -2.34 0.00 0.00 174.74 172.88 2k5l n HIS 79 N 9.13 -3.42 -2.56 3.88 -0.00 -1.26 -5.12 115.22 115.88 2k5l n HIS 79 Ca 0.42 0.80 -0.42 0.00 -0.00 0.00 0.00 57.72 58.52 2k5l n HIS 79 Cb 0.48 2.21 -0.03 0.00 -0.00 0.00 0.00 29.99 32.65 2k5l n HIS 79 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k5l s HIS 80 N -2.00 3.42 -2.70 1.57 5.04 -1.25 -5.28 115.29 114.09 2k5l s HIS 80 Ca 0.00 1.43 0.26 0.00 -1.54 0.00 0.00 55.06 55.21 2k5l s HIS 80 Cb 0.00 -3.30 0.70 0.00 0.04 0.00 0.00 32.58 30.02 2k5l s HIS 80 CO 0.00 -0.77 1.55 0.72 -2.34 0.00 0.00 174.74 173.90