#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 3.18 0.52 1.12 5.36 -1.26 -5.06 117.98 121.84 2k5l s PHE 2 Ca 0.00 -1.20 0.07 0.00 -0.96 0.00 0.00 56.93 54.85 2k5l s PHE 2 Cb 0.00 -2.25 0.04 0.00 -0.34 0.00 0.00 43.02 40.47 2k5l s PHE 2 CO 0.00 -0.65 0.54 -1.12 -1.46 0.00 0.00 175.22 172.53 2k5l s SER 3 N 1.45 4.94 0.44 6.13 0.01 -1.26 -3.57 113.70 121.84 2k5l s SER 3 Ca 0.01 -0.95 0.20 0.00 1.31 0.00 0.00 55.95 56.52 2k5l s SER 3 Cb -0.18 0.09 1.02 0.00 0.21 0.00 0.00 66.02 67.17 2k5l s SER 3 CO 0.02 -1.06 1.91 0.25 0.41 0.00 0.00 173.24 174.77 2k5l h LEU 4 N 0.61 0.00 0.00 2.44 5.85 -0.50 -1.84 115.31 121.88 2k5l h LEU 4 Ca -0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2k5l h LEU 4 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2k5l h LEU 4 CO 0.51 0.25 0.00 -2.11 -0.34 0.00 0.00 178.44 176.75 2k5l n ARG 5 N -3.77 0.35 0.00 1.25 -4.01 -0.98 -2.62 116.66 106.88 2k5l n ARG 5 Ca -0.01 0.01 0.13 0.00 -1.04 0.00 0.00 57.85 56.93 2k5l n ARG 5 Cb 0.35 -1.50 0.41 0.00 -3.04 0.00 0.00 32.46 28.69 2k5l n ARG 5 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 2k5l n ASP 6 N -1.32 0.78 -4.87 2.89 8.00 -0.69 -4.87 116.55 116.47 2k5l n ASP 6 Ca 0.13 -0.67 -0.32 0.00 0.71 0.00 0.00 54.79 54.64 2k5l n ASP 6 Cb 0.25 0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.39 2k5l n ASP 6 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k5l s ALA 7 N -2.60 3.43 0.07 2.24 0.00 -1.08 -4.98 121.76 118.85 2k5l s ALA 7 Ca 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.02 2k5l s ALA 7 Cb 0.19 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.66 2k5l s ALA 7 CO 0.54 0.33 0.25 0.15 0.00 0.00 0.00 175.76 177.03 2k5l s LYS 8 N -3.10 3.49 -0.33 0.00 -0.14 -1.26 -5.03 119.74 113.36 2k5l s LYS 8 Ca 0.51 -0.34 -0.29 0.00 -1.36 0.00 0.00 55.97 54.49 2k5l s LYS 8 Cb -0.11 -3.00 -0.01 0.00 -1.68 0.00 0.00 37.83 33.03 2k5l s LYS 8 CO 0.22 0.58 1.69 0.00 -0.76 0.00 0.00 175.35 177.08 2k5l n GLY 10 N 5.25 1.07 3.97 0.00 0.00 0.17 -4.94 105.19 110.70 2k5l n GLY 10 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 3.03 -0.18 1.61 -0.21 -0.67 -4.96 119.66 118.28 2k5l s GLN 11 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 55.36 54.30 2k5l s GLN 11 Cb 0.00 -2.76 0.01 0.00 1.00 0.00 0.00 33.01 31.26 2k5l s GLN 11 CO 0.00 0.03 -0.17 0.99 -2.12 0.00 0.00 175.29 174.03 2k5l s THR 12 N -2.21 2.38 0.34 -0.19 2.01 -1.26 -2.08 115.64 114.62 2k5l s THR 12 Ca 0.45 -0.84 0.09 0.00 0.31 0.00 0.00 61.69 61.71 2k5l s THR 12 Cb -0.09 -2.01 -0.06 0.00 0.01 0.00 0.00 72.50 70.35 2k5l s THR 12 CO 0.31 0.52 -0.02 0.68 -0.69 0.00 0.00 174.62 175.41 2k5l s VAL 13 N 1.23 2.55 -0.02 3.82 -7.23 -0.33 -2.80 120.40 117.63 2k5l s VAL 13 Ca 0.03 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 2k5l s VAL 13 Cb -0.14 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.05 2k5l s VAL 13 CO -0.09 -0.21 -0.08 -0.54 -0.31 0.00 0.00 175.10 173.88 2k5l s LYS 14 N -3.69 0.76 0.05 4.82 1.02 -0.38 0.11 119.74 122.43 2k5l s LYS 14 Ca 0.34 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.76 2k5l s LYS 14 Cb 0.00 -0.73 -0.05 0.00 -0.52 0.00 0.00 37.83 36.54 2k5l s LYS 14 CO 0.19 0.12 1.08 0.08 -0.92 0.00 0.00 175.35 175.90 2k5l s VAL 15 N 0.06 4.38 0.02 3.17 1.01 -0.89 -0.60 120.40 127.55 2k5l s VAL 15 Ca -0.01 1.76 -0.04 0.00 0.00 0.00 0.00 61.98 63.70 2k5l s VAL 15 Cb -0.06 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2k5l s VAL 15 CO -0.00 0.17 -0.08 1.33 0.00 0.00 0.00 175.10 176.52 2k5l n VAL 16 N 3.64 1.12 -4.42 2.92 0.24 -0.38 -0.41 118.33 121.03 2k5l n VAL 16 Ca 0.06 0.27 -0.24 0.00 -2.04 0.00 0.00 64.34 62.40 2k5l n VAL 16 Cb 0.48 -1.72 -0.09 0.00 -1.47 0.00 0.00 33.84 31.04 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 -2.18 1.86 -0.21 7.34 1.02 -0.93 -4.74 119.74 121.90 2k5l s LYS 17 Ca -0.07 -1.69 -0.01 0.00 0.02 0.00 0.00 55.97 54.22 2k5l s LYS 17 Cb 0.01 -1.87 0.06 0.00 -0.52 0.00 0.00 37.83 35.51 2k5l s LYS 17 CO 0.10 0.32 -0.00 -0.51 -0.92 0.00 0.00 175.35 174.33 2k5l s LEU 18 N -3.57 1.77 0.56 3.17 1.43 -1.26 -1.28 118.68 119.49 2k5l s LEU 18 Ca 0.31 -0.97 -0.05 0.00 -1.03 0.00 0.00 54.13 52.39 2k5l s LEU 18 Cb -0.05 -0.84 -0.00 0.00 0.03 0.00 0.00 46.19 45.33 2k5l s LEU 18 CO 0.17 -0.27 0.86 -1.00 0.23 0.00 0.00 176.35 176.33 2k5l s HIS 19 N 1.66 3.33 0.00 0.29 3.76 -1.11 -4.93 115.29 118.28 2k5l s HIS 19 Ca -0.03 0.67 0.00 0.00 -0.15 0.00 0.00 55.06 55.55 2k5l s HIS 19 Cb -0.18 -2.62 0.00 0.00 1.11 0.00 0.00 32.58 30.90 2k5l s HIS 19 CO -0.07 -0.67 0.00 0.41 -0.85 0.00 0.00 174.74 173.55 2k5l n GLY 20 N -2.48 1.42 1.15 -2.22 0.00 -1.26 -4.57 105.19 97.23 2k5l n GLY 20 Ca 0.03 -1.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.83 1.28 0.00 2.61 -2.24 -1.26 -4.86 114.28 107.98 2k5l n THR 21 Ca 0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2k5l n THR 21 Cb 0.00 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 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 0.53 1.62 0.36 3.38 0.00 -1.26 -4.49 105.19 105.33 2k5l n GLY 22 Ca 0.04 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 1.63 -0.54 4.61 0.00 -1.99 -0.41 119.26 122.55 2k5l h ALA 23 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2k5l h ALA 23 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2k5l h ALA 23 CO 0.00 0.25 0.24 1.25 0.00 0.00 0.00 179.25 180.99 2k5l h LEU 24 N 0.87 0.73 -0.79 0.00 5.85 -1.92 -2.01 115.31 118.03 2k5l h LEU 24 Ca 0.35 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.93 2k5l h LEU 24 Cb 0.25 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 2k5l h LEU 24 CO -0.13 0.67 0.52 0.11 -0.34 0.00 0.00 178.44 179.27 2k5l h LYS 25 N 0.73 1.05 -0.69 1.25 1.57 -1.37 -0.70 116.57 118.41 2k5l h LYS 25 Ca 0.18 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2k5l h LYS 25 Cb 0.15 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2k5l h LYS 25 CO -0.02 0.71 0.40 -0.09 -0.57 0.00 0.00 179.45 179.88 2k5l h ARG 26 N 1.08 0.95 -0.33 3.15 9.65 -0.96 0.18 114.38 128.11 2k5l h ARG 26 Ca 0.29 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 59.04 2k5l h ARG 26 Cb -0.11 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.27 2k5l h ARG 26 CO -0.06 0.70 0.10 -0.09 2.80 0.00 0.00 179.97 183.41 2k5l h ARG 27 N 0.95 0.51 -0.05 0.20 2.43 -0.83 0.30 114.38 117.88 2k5l h ARG 27 Ca 0.25 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2k5l h ARG 27 Cb 0.00 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2k5l h ARG 27 CO -0.04 0.55 -0.03 0.82 -1.51 0.00 0.00 179.97 179.76 2k5l h ILE 28 N 0.37 0.91 -0.03 1.20 2.04 -0.74 -2.65 117.51 118.60 2k5l h ILE 28 Ca 0.10 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.88 2k5l h ILE 28 Cb 0.26 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2k5l h ILE 28 CO -0.00 0.00 -0.37 0.24 0.00 0.00 0.00 178.15 178.01 2k5l h MET 29 N -0.03 0.06 -0.27 2.37 2.86 -0.55 -2.54 114.93 116.85 2k5l h MET 29 Ca 0.03 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 2k5l h MET 29 Cb 0.07 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2k5l h MET 29 CO -0.07 0.43 -0.27 0.22 1.06 0.00 0.00 176.91 178.28 2k5l h ASP 30 N 0.06 0.54 1.25 1.22 1.82 -0.69 -2.60 116.42 118.01 2k5l h ASP 30 Ca 0.00 -0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.45 2k5l h ASP 30 Cb 0.69 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.55 2k5l h ASP 30 CO 0.05 0.80 0.00 0.24 -1.61 0.00 0.00 179.24 178.72 2k5l h MET 31 N 0.46 0.00 0.00 0.28 2.86 -1.23 -3.46 114.93 113.84 2k5l h MET 31 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2k5l h MET 31 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2k5l h MET 31 CO 0.06 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.44 2k5l n GLY 32 N 0.50 1.92 3.56 8.32 0.00 -0.98 -5.07 105.19 113.44 2k5l n GLY 32 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.55 3.42 0.16 -0.61 -1.09 -0.98 -4.92 121.20 115.64 2k5l s ILE 33 Ca 0.00 0.32 0.07 0.00 -2.23 0.00 0.00 60.65 58.81 2k5l s ILE 33 Cb 0.00 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 2k5l s ILE 33 CO 0.00 -0.80 -0.16 0.42 -1.23 0.00 0.00 174.94 173.17 2k5l s THR 34 N 8.31 1.65 -0.41 2.92 -4.23 -1.26 -3.07 115.64 119.55 2k5l s THR 34 Ca 0.69 -1.94 -0.28 0.00 -1.18 0.00 0.00 61.69 58.99 2k5l s THR 34 Cb -0.15 -1.81 -0.02 0.00 1.34 0.00 0.00 72.50 71.86 2k5l s THR 34 CO 0.24 -0.42 1.89 -0.13 -0.54 0.00 0.00 174.62 175.66 2k5l s ARG 35 N -2.99 3.03 0.00 3.99 0.52 -1.26 -2.00 118.95 120.24 2k5l s ARG 35 Ca 0.15 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.61 2k5l s ARG 35 Cb -0.04 -4.29 0.00 0.00 0.52 0.00 0.00 34.95 31.14 2k5l s ARG 35 CO 0.05 -2.22 0.00 0.41 0.02 0.00 0.00 175.30 173.56 2k5l n GLY 36 N 5.56 1.14 3.77 -3.53 0.00 0.45 -4.96 105.19 107.62 2k5l n GLY 36 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.31 4.22 -0.18 0.00 -1.05 -1.26 -2.09 118.70 116.02 2k5l s GLU 38 Ca 0.57 0.77 0.01 0.00 -0.15 0.00 0.00 54.97 56.16 2k5l s GLU 38 Cb -0.29 -3.15 0.04 0.00 -0.44 0.00 0.00 34.13 30.29 2k5l s GLU 38 CO 0.36 0.58 -0.11 0.42 0.95 0.00 0.00 175.26 177.45 2k5l s ILE 39 N -1.22 1.61 -0.46 1.83 1.01 0.12 -4.59 121.20 119.49 2k5l s ILE 39 Ca 0.33 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.88 2k5l s ILE 39 Cb -0.19 -1.64 0.03 0.00 0.01 0.00 0.00 42.46 40.68 2k5l s ILE 39 CO 0.20 0.26 0.70 -0.47 0.00 0.00 0.00 174.94 175.63 2k5l s TYR 40 N 1.43 3.02 -0.24 3.97 5.04 -1.19 -1.18 117.35 128.19 2k5l s TYR 40 Ca 0.01 -0.10 -0.29 0.00 -2.44 0.00 0.00 57.07 54.25 2k5l s TYR 40 Cb -0.15 -3.52 -0.03 0.00 0.35 0.00 0.00 41.96 38.62 2k5l s TYR 40 CO -0.09 -0.97 1.70 0.42 -1.34 0.00 0.00 175.55 175.27 2k5l s ILE 41 N 2.99 3.58 -0.16 3.14 -1.09 -0.89 -2.45 121.20 126.34 2k5l s ILE 41 Ca 0.23 0.64 -0.13 0.00 -2.23 0.00 0.00 60.65 59.16 2k5l s ILE 41 Cb -0.14 -3.64 -0.09 0.00 -1.58 0.00 0.00 42.46 37.01 2k5l s ILE 41 CO 0.18 -0.31 -0.01 0.03 -1.23 0.00 0.00 174.94 173.61 2k5l h ARG 42 N 11.46 0.00 -2.84 2.79 2.47 -1.31 0.50 114.38 127.46 2k5l h ARG 42 Ca -0.35 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.19 2k5l h ARG 42 Cb 1.16 0.00 -0.31 0.00 -1.65 0.00 0.00 29.97 29.18 2k5l h ARG 42 CO 1.01 0.36 -0.47 0.21 0.56 0.00 0.00 179.97 181.63 2k5l s LYS 43 N -2.23 0.21 -0.23 0.04 2.47 -0.55 -4.48 119.74 114.98 2k5l s LYS 43 Ca -0.18 0.73 -0.05 0.00 -1.56 0.00 0.00 55.97 54.91 2k5l s LYS 43 Cb 0.03 -0.01 -0.02 0.00 -1.46 0.00 0.00 37.83 36.37 2k5l s LYS 43 CO 0.34 -0.24 0.01 0.08 0.16 0.00 0.00 175.35 175.70 2k5l s VAL 44 N 2.04 3.86 0.46 4.02 1.01 -1.26 0.32 120.40 130.85 2k5l s VAL 44 Ca -0.03 -0.33 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 2k5l s VAL 44 Cb -0.11 -2.77 -0.07 0.00 0.00 0.00 0.00 36.38 33.42 2k5l s VAL 44 CO -0.09 0.39 1.23 0.00 0.00 0.00 0.00 175.10 176.63 2k5l s ALA 45 N 1.41 3.00 0.48 5.51 0.00 -1.14 -4.91 121.76 126.12 2k5l s ALA 45 Ca 0.05 1.07 0.41 0.00 0.00 0.00 0.00 51.96 53.49 2k5l s ALA 45 Cb -0.15 -3.44 2.14 0.00 0.00 0.00 0.00 23.12 21.68 2k5l s ALA 45 CO 0.01 -0.82 2.24 -1.00 0.00 0.00 0.00 175.76 176.19 2k5l h PRO 46 N 2.09 0.00 0.00 0.00 0.13 -1.93 0.15 132.00 132.44 2k5l h PRO 46 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2k5l h PRO 46 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2k5l h PRO 46 CO 0.60 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.65 2k5l n LEU 47 N -3.00 0.16 0.00 1.56 4.77 -1.26 -4.88 117.00 114.35 2k5l n LEU 47 Ca -0.02 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2k5l n LEU 47 Cb 0.11 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2k5l n LEU 47 CO 0.20 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 2k5l n GLY 48 N 1.34 3.18 3.06 -0.72 0.00 0.53 -5.00 105.19 107.58 2k5l n GLY 48 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.11 -0.14 0.62 1.61 2.15 -1.26 -4.54 116.67 114.00 2k5l s ASP 49 Ca 0.00 0.24 -0.01 0.00 0.43 0.00 0.00 52.55 53.21 2k5l s ASP 49 Cb 0.00 0.32 0.06 0.00 -0.30 0.00 0.00 42.92 42.99 2k5l s ASP 49 CO 0.00 -0.11 0.88 -2.16 -0.17 0.00 0.00 175.17 173.60 2k5l s PRO 50 N -0.17 2.29 -0.27 4.34 0.04 -1.26 -4.73 135.00 135.24 2k5l s PRO 50 Ca -0.03 -0.70 -0.07 0.00 0.04 0.00 0.00 61.00 60.24 2k5l s PRO 50 Cb -0.02 -2.38 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 2k5l s PRO 50 CO 0.00 -0.98 0.07 0.42 0.04 0.00 0.00 177.00 176.55 2k5l s ILE 51 N -2.96 4.06 -0.21 0.56 1.01 -0.41 -2.89 121.20 120.36 2k5l s ILE 51 Ca 0.60 -0.46 -0.25 0.00 0.00 0.00 0.00 60.65 60.53 2k5l s ILE 51 Cb -0.10 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 2k5l s ILE 51 CO 0.41 0.21 0.85 -1.10 0.00 0.00 0.00 174.94 175.31 2k5l s GLN 52 N 1.55 4.24 0.05 2.79 1.11 0.15 -0.13 119.66 129.41 2k5l s GLN 52 Ca 0.04 1.01 0.02 0.00 0.01 0.00 0.00 55.36 56.44 2k5l s GLN 52 Cb -0.16 -3.62 -0.03 0.00 -1.01 0.00 0.00 33.01 28.20 2k5l s GLN 52 CO 0.02 -0.45 -0.08 0.96 0.01 0.00 0.00 175.29 175.76 2k5l s ILE 53 N 2.59 0.59 -0.31 1.08 -4.36 0.65 -0.81 121.20 120.62 2k5l s ILE 53 Ca 0.37 -1.20 -0.05 0.00 -0.26 0.00 0.00 60.65 59.50 2k5l s ILE 53 Cb -0.16 -0.77 0.03 0.00 1.25 0.00 0.00 42.46 42.81 2k5l s ILE 53 CO 0.09 -0.44 0.06 0.21 0.24 0.00 0.00 174.94 175.11 2k5l s ASN 54 N -1.78 5.08 -0.06 4.36 3.84 -1.02 -0.61 114.94 124.75 2k5l s ASN 54 Ca -0.07 -0.99 0.02 0.00 0.21 0.00 0.00 52.86 52.03 2k5l s ASN 54 Cb -0.08 -1.83 0.01 0.00 -0.55 0.00 0.00 41.25 38.81 2k5l s ASN 54 CO -0.00 -0.25 -0.11 -0.69 -2.79 0.00 0.00 177.10 173.26 2k5l s VAL 55 N 1.40 1.00 -1.09 -5.21 1.01 0.84 -3.19 120.40 115.15 2k5l s VAL 55 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2k5l s VAL 55 Cb -0.18 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.27 2k5l s VAL 55 CO 0.01 0.32 0.00 0.54 0.00 0.00 0.00 175.10 175.98 2k5l n ARG 56 N 3.75 -1.46 -0.02 2.72 5.12 -1.26 -0.81 116.66 124.70 2k5l n ARG 56 Ca -0.23 0.83 0.00 0.00 -1.93 0.00 0.00 57.85 56.53 2k5l n ARG 56 Cb 0.52 -5.11 0.00 0.00 -1.16 0.00 0.00 32.46 26.71 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 -0.23 0.27 3.68 -0.13 0.00 -1.26 -5.06 105.19 102.46 2k5l n GLY 57 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.07 3.33 -0.33 1.61 2.02 0.01 -5.07 117.35 116.87 2k5l s TYR 58 Ca 0.00 0.21 -0.10 0.00 -0.37 0.00 0.00 57.07 56.81 2k5l s TYR 58 Cb 0.00 -2.17 -0.00 0.00 -0.40 0.00 0.00 41.96 39.39 2k5l s TYR 58 CO 0.00 0.18 0.18 -2.00 -1.57 0.00 0.00 175.55 172.34 2k5l s GLU 59 N 0.58 3.28 0.27 -0.62 2.12 -1.26 -0.12 118.70 122.95 2k5l s GLU 59 Ca 0.07 -0.77 0.03 0.00 0.36 0.00 0.00 54.97 54.66 2k5l s GLU 59 Cb -0.12 -3.64 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 2k5l s GLU 59 CO 0.00 -0.47 0.21 -0.48 -0.54 0.00 0.00 175.26 173.98 2k5l s LEU 60 N 1.63 1.47 -0.21 2.70 0.05 0.22 -4.95 118.68 119.58 2k5l s LEU 60 Ca 0.04 -1.59 -0.06 0.00 0.05 0.00 0.00 54.13 52.58 2k5l s LEU 60 Cb -0.17 0.47 -0.03 0.00 -2.05 0.00 0.00 46.19 44.41 2k5l s LEU 60 CO 0.07 -0.96 0.01 -0.44 -0.55 0.00 0.00 176.35 174.49 2k5l s SER 61 N -3.27 4.92 -0.13 1.48 0.01 -1.26 -0.26 113.70 115.18 2k5l s SER 61 Ca 0.40 -0.19 -0.04 0.00 1.31 0.00 0.00 55.95 57.43 2k5l s SER 61 Cb 0.05 -1.85 -0.03 0.00 0.21 0.00 0.00 66.02 64.39 2k5l s SER 61 CO 0.20 0.05 0.01 -0.22 0.41 0.00 0.00 173.24 173.70 2k5l s LEU 62 N 1.08 3.58 0.29 2.44 2.96 0.81 -4.89 118.68 124.95 2k5l s LEU 62 Ca 0.03 0.07 -0.29 0.00 -0.22 0.00 0.00 54.13 53.71 2k5l s LEU 62 Cb -0.14 -1.86 -0.10 0.00 0.50 0.00 0.00 46.19 44.59 2k5l s LEU 62 CO 0.02 0.27 1.39 -0.60 -1.32 0.00 0.00 176.35 176.11 2k5l s ARG 63 N -0.21 4.29 0.53 1.98 6.06 -1.26 -1.29 118.95 129.04 2k5l s ARG 63 Ca 0.06 2.29 0.23 0.00 -2.50 0.00 0.00 55.73 55.81 2k5l s ARG 63 Cb -0.12 -3.08 1.36 0.00 0.06 0.00 0.00 34.95 33.17 2k5l s ARG 63 CO 0.02 -0.34 2.05 -0.22 -2.50 0.00 0.00 175.30 174.30 2k5l h LYS 64 N 4.22 0.00 -0.61 5.12 3.11 -1.94 -0.59 116.57 125.88 2k5l h LYS 64 Ca -0.48 0.00 0.10 0.00 -2.81 0.00 0.00 60.65 57.47 2k5l h LYS 64 Cb 1.22 0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 32.37 2k5l h LYS 64 CO 0.72 0.00 0.18 0.77 -2.81 0.00 0.00 179.45 178.31 2k5l h SER 65 N 0.00 0.13 0.01 4.20 0.02 -1.94 0.35 113.55 116.31 2k5l h SER 65 Ca 0.17 0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 61.06 2k5l h SER 65 Cb 0.69 0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.34 2k5l h SER 65 CO -0.00 0.08 -0.60 0.00 -1.14 0.00 0.00 176.83 175.16 2k5l h ALA 66 N 1.45 0.06 -0.39 3.77 0.00 -1.52 -3.28 119.26 119.35 2k5l h ALA 66 Ca 0.31 -0.57 0.08 0.00 0.00 0.00 0.00 54.91 54.72 2k5l h ALA 66 Cb 0.43 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2k5l h ALA 66 CO -0.35 0.35 0.27 0.00 0.00 0.00 0.00 179.25 179.51 2k5l h ALA 67 N 0.30 2.11 0.00 0.00 0.00 -0.74 0.12 119.26 121.06 2k5l h ALA 67 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k5l h ALA 67 Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2k5l h ALA 67 CO 0.12 -0.20 0.00 -1.91 0.00 0.00 0.00 179.25 177.26 2k5l n GLU 68 N -4.47 0.05 -0.00 0.00 2.13 0.12 -0.84 120.64 117.63 2k5l n GLU 68 Ca 0.05 0.06 0.06 0.00 0.66 0.00 0.00 57.16 57.99 2k5l n GLU 68 Cb 0.32 -1.56 -0.08 0.00 0.27 0.00 0.00 31.44 30.39 2k5l n GLU 68 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 2k5l n MET 69 N -1.65 0.57 -2.53 5.31 1.56 0.25 -4.83 117.12 115.79 2k5l n MET 69 Ca 0.06 -0.09 -0.41 0.00 -0.27 0.00 0.00 57.70 56.99 2k5l n MET 69 Cb 0.34 -1.24 -0.04 0.00 2.15 0.00 0.00 33.22 34.43 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 -2.71 3.96 -0.37 1.12 1.01 -0.28 -2.76 121.20 121.17 2k5l s ILE 70 Ca -0.03 1.64 -0.14 0.00 0.00 0.00 0.00 60.65 62.11 2k5l s ILE 70 Cb 0.07 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.49 2k5l s ILE 70 CO 0.46 0.26 0.30 -0.70 0.00 0.00 0.00 174.94 175.26 2k5l s GLU 71 N -0.15 3.27 0.35 2.79 2.12 -0.41 -2.20 118.70 124.48 2k5l s GLU 71 Ca 0.50 -0.76 0.04 0.00 0.36 0.00 0.00 54.97 55.12 2k5l s GLU 71 Cb -0.29 -3.89 -0.06 0.00 0.26 0.00 0.00 34.13 30.15 2k5l s GLU 71 CO 0.34 -0.61 0.05 0.14 -0.54 0.00 0.00 175.26 174.64 2k5l s VAL 72 N 1.80 1.29 -0.04 3.70 -7.23 -1.23 -1.25 120.40 117.44 2k5l s VAL 72 Ca 0.07 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.29 2k5l s VAL 72 Cb -0.18 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 33.97 2k5l s VAL 72 CO 0.11 0.00 -0.18 -1.61 -0.31 0.00 0.00 175.10 173.11 2k5l s GLU 73 N -3.85 1.78 -0.93 4.82 2.02 0.23 -4.77 118.70 118.00 2k5l s GLU 73 Ca 0.35 -0.65 -0.24 0.00 0.02 0.00 0.00 54.97 54.44 2k5l s GLU 73 Cb 0.08 -1.59 0.05 0.00 0.10 0.00 0.00 34.13 32.77 2k5l s GLU 73 CO 0.16 0.30 1.39 -1.17 0.02 0.00 0.00 175.26 175.95 2k5l s LEU 74 N -0.11 3.44 -0.42 1.80 1.98 -1.26 -1.26 118.68 122.85 2k5l s LEU 74 Ca -0.01 -1.17 -0.29 0.00 -2.89 0.00 0.00 54.13 49.77 2k5l s LEU 74 Cb -0.11 -2.56 0.02 0.00 0.66 0.00 0.00 46.19 44.20 2k5l s LEU 74 CO 0.02 -1.60 1.28 -0.70 -1.89 0.00 0.00 176.35 173.46 2k5l s GLU 75 N 5.15 3.70 -0.61 1.98 2.12 -1.12 -4.96 118.70 124.96 2k5l s GLU 75 Ca 0.42 0.84 -0.03 0.00 0.36 0.00 0.00 54.97 56.57 2k5l s GLU 75 Cb -0.03 -3.95 0.16 0.00 0.26 0.00 0.00 34.13 30.57 2k5l s GLU 75 CO -0.03 -1.41 0.42 -1.58 -0.54 0.00 0.00 175.26 172.12 2k5l s HIS 76 N 4.85 3.41 0.30 5.30 5.65 -1.26 -4.79 115.29 128.74 2k5l s HIS 76 Ca 0.55 -2.72 0.07 0.00 0.25 0.00 0.00 55.06 53.21 2k5l s HIS 76 Cb -0.11 -3.18 -0.03 0.00 -1.18 0.00 0.00 32.58 28.07 2k5l s HIS 76 CO 0.30 -0.84 0.23 -3.38 -0.65 0.00 0.00 174.74 170.40 2k5l s HIS 77 N -0.02 2.96 0.28 3.88 -3.43 -1.26 -5.13 115.29 112.57 2k5l s HIS 77 Ca 0.16 -0.23 0.06 0.00 -0.80 0.00 0.00 55.06 54.25 2k5l s HIS 77 Cb -0.21 -1.61 -0.02 0.00 -1.43 0.00 0.00 32.58 29.31 2k5l s HIS 77 CO -0.03 0.34 0.40 -3.38 -2.00 0.00 0.00 174.74 170.07 2k5l s HIS 78 N -2.25 3.31 0.14 0.38 -3.43 -1.26 -5.11 115.29 107.07 2k5l s HIS 78 Ca 0.37 -0.10 -0.04 0.00 -0.80 0.00 0.00 55.06 54.49 2k5l s HIS 78 Cb -0.06 -1.73 -0.05 0.00 -1.43 0.00 0.00 32.58 29.30 2k5l s HIS 78 CO 0.25 0.26 0.35 -1.01 -2.00 0.00 0.00 174.74 172.60 2k5l s HIS 79 N -2.06 3.48 0.34 0.38 0.09 -1.26 -5.10 115.29 111.17 2k5l s HIS 79 Ca 0.38 0.49 -0.17 0.00 -0.00 0.00 0.00 55.06 55.77 2k5l s HIS 79 Cb -0.09 -1.96 0.04 0.00 -0.00 0.00 0.00 32.58 30.57 2k5l s HIS 79 CO 0.30 0.45 0.73 -3.38 -0.00 0.00 0.00 174.74 172.84 2k5l s HIS 80 N -1.66 0.07 -2.33 1.40 -3.43 -1.26 -5.36 115.29 102.71 2k5l s HIS 80 Ca 0.40 -0.63 0.29 0.00 -0.80 0.00 0.00 55.06 54.32 2k5l s HIS 80 Cb -0.12 0.72 1.34 0.00 -1.43 0.00 0.00 32.58 33.08 2k5l s HIS 80 CO 0.26 -1.40 1.91 0.72 -2.00 0.00 0.00 174.74 174.22