#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 3.62 0.47 1.12 5.36 -1.26 -5.09 117.98 122.19 2k5l s PHE 2 Ca 0.00 -3.03 -0.07 0.00 -0.96 0.00 0.00 56.93 52.87 2k5l s PHE 2 Cb 0.00 -2.89 -0.04 0.00 -0.34 0.00 0.00 43.02 39.74 2k5l s PHE 2 CO 0.00 -0.90 0.79 -1.12 -1.46 0.00 0.00 175.22 172.53 2k5l s SER 3 N 0.65 6.33 0.59 6.13 0.01 -1.26 -1.41 113.70 124.74 2k5l s SER 3 Ca 0.12 1.00 0.29 0.00 1.31 0.00 0.00 55.95 58.68 2k5l s SER 3 Cb -0.21 -2.28 1.77 0.00 0.21 0.00 0.00 66.02 65.52 2k5l s SER 3 CO -0.06 -0.54 2.21 0.25 0.41 0.00 0.00 173.24 175.50 2k5l h LEU 4 N 0.49 0.00 -1.56 2.44 5.85 0.43 0.19 115.31 123.16 2k5l h LEU 4 Ca -0.47 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.42 2k5l h LEU 4 Cb 1.20 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 2k5l h LEU 4 CO 0.62 0.00 0.54 -0.09 -0.34 0.00 0.00 178.44 179.17 2k5l h ARG 5 N 0.00 0.40 -0.00 1.25 2.43 -1.63 -1.81 114.38 115.02 2k5l h ARG 5 Ca 0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k5l h ARG 5 Cb 0.15 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2k5l h ARG 5 CO -0.00 0.26 -0.25 -0.25 -1.51 0.00 0.00 179.97 178.22 2k5l n ASP 6 N -4.49 0.54 -4.76 -3.80 9.92 0.06 -4.84 116.55 109.18 2k5l n ASP 6 Ca 0.16 -0.39 -0.39 0.00 -0.53 0.00 0.00 54.79 53.64 2k5l n ASP 6 Cb 0.59 0.01 -0.06 0.00 -0.64 0.00 0.00 41.12 41.03 2k5l n ASP 6 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k5l s ALA 7 N -2.72 3.28 0.16 2.24 0.00 -0.68 -5.05 121.76 118.99 2k5l s ALA 7 Ca 0.20 0.60 0.01 0.00 0.00 0.00 0.00 51.96 52.77 2k5l s ALA 7 Cb 0.19 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 2k5l s ALA 7 CO 0.56 0.15 0.32 0.15 0.00 0.00 0.00 175.76 176.94 2k5l s LYS 8 N -1.62 3.47 0.06 0.00 -0.14 -1.26 -4.93 119.74 115.32 2k5l s LYS 8 Ca 0.46 -0.49 -0.31 0.00 -1.36 0.00 0.00 55.97 54.27 2k5l s LYS 8 Cb -0.23 -2.93 -0.08 0.00 -1.68 0.00 0.00 37.83 32.91 2k5l s LYS 8 CO 0.29 0.49 1.59 0.00 -0.76 0.00 0.00 175.35 176.96 2k5l n GLY 10 N 3.90 1.16 3.65 0.00 0.00 0.23 -4.98 105.19 109.15 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 -0.57 2.16 -0.20 1.61 -0.21 -1.07 -5.01 119.66 116.37 2k5l s GLN 11 Ca 0.00 -1.65 0.01 0.00 0.02 0.00 0.00 55.36 53.74 2k5l s GLN 11 Cb 0.00 -2.02 0.04 0.00 1.00 0.00 0.00 33.01 32.03 2k5l s GLN 11 CO 0.00 0.17 -0.13 0.99 -2.12 0.00 0.00 175.29 174.20 2k5l s THR 12 N -2.47 1.81 0.30 -0.19 2.01 -1.26 -2.23 115.64 113.62 2k5l s THR 12 Ca 0.35 -1.07 0.11 0.00 0.31 0.00 0.00 61.69 61.38 2k5l s THR 12 Cb -0.02 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 2k5l s THR 12 CO 0.20 0.23 -0.13 0.68 -0.69 0.00 0.00 174.62 174.91 2k5l s VAL 13 N 1.33 2.51 0.03 3.82 -7.23 -0.77 -3.00 120.40 117.08 2k5l s VAL 13 Ca -0.01 -2.27 0.09 0.00 -1.81 0.00 0.00 61.98 57.98 2k5l s VAL 13 Cb -0.16 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 2k5l s VAL 13 CO -0.09 -0.32 -0.26 -0.54 -0.31 0.00 0.00 175.10 173.58 2k5l s LYS 14 N -3.57 1.89 -0.01 4.82 1.02 0.18 0.57 119.74 124.65 2k5l s LYS 14 Ca 0.31 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 2k5l s LYS 14 Cb -0.03 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 2k5l s LYS 14 CO 0.16 0.53 1.02 0.08 -0.92 0.00 0.00 175.35 176.21 2k5l s VAL 15 N -0.76 4.74 -0.07 3.17 1.01 0.19 0.03 120.40 128.71 2k5l s VAL 15 Ca 0.11 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.07 2k5l s VAL 15 Cb -0.10 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2k5l s VAL 15 CO 0.01 0.13 -0.06 1.33 0.00 0.00 0.00 175.10 176.51 2k5l n VAL 16 N 4.00 0.40 -3.76 2.92 0.24 -0.33 0.06 118.33 121.86 2k5l n VAL 16 Ca 0.07 -0.15 -0.18 0.00 -2.04 0.00 0.00 64.34 62.04 2k5l n VAL 16 Cb 0.50 -0.83 -0.17 0.00 -1.47 0.00 0.00 33.84 31.87 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 -2.14 0.06 -0.34 7.34 2.20 -0.99 -4.84 119.74 121.04 2k5l s LYS 17 Ca -0.09 0.24 -0.13 0.00 -0.36 0.00 0.00 55.97 55.62 2k5l s LYS 17 Cb 0.03 -0.45 -0.02 0.00 -1.51 0.00 0.00 37.83 35.88 2k5l s LYS 17 CO 0.16 -0.24 0.25 -0.51 -0.36 0.00 0.00 175.35 174.65 2k5l s LEU 18 N 1.57 4.49 0.24 5.43 1.43 -1.26 -0.41 118.68 130.17 2k5l s LEU 18 Ca -0.03 -0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 2k5l s LEU 18 Cb -0.13 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.88 2k5l s LEU 18 CO -0.03 -0.23 0.50 -1.00 0.23 0.00 0.00 176.35 175.81 2k5l s HIS 19 N 1.75 3.47 0.00 0.29 3.76 -0.06 -5.01 115.29 119.50 2k5l s HIS 19 Ca 0.07 0.60 0.00 0.00 -0.15 0.00 0.00 55.06 55.58 2k5l s HIS 19 Cb -0.17 -2.06 0.00 0.00 1.11 0.00 0.00 32.58 31.45 2k5l s HIS 19 CO 0.11 0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.67 2k5l n GLY 20 N -0.64 0.13 3.95 -2.22 0.00 -1.26 -4.72 105.19 100.44 2k5l n GLY 20 Ca -0.02 -2.28 -0.26 0.00 0.00 0.00 0.00 46.02 43.46 2k5l n GLY 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k5l s THR 21 N 0.00 2.20 0.22 2.61 -4.23 -1.26 -4.86 115.64 110.32 2k5l s THR 21 Ca 0.00 -0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 60.09 2k5l s THR 21 Cb 0.00 -2.87 0.19 0.00 1.34 0.00 0.00 72.50 71.16 2k5l s THR 21 CO 0.00 0.00 1.87 1.23 -0.54 0.00 0.00 174.62 177.18 2k5l h GLY 22 N -0.76 1.22 0.96 3.99 0.00 -1.98 -0.22 103.07 106.28 2k5l h GLY 22 Ca -0.42 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 46.43 2k5l h GLY 22 CO 0.49 0.49 0.56 0.00 0.00 0.00 0.00 176.54 178.07 2k5l h ALA 23 N 1.28 1.09 -0.20 3.60 0.00 -1.98 0.26 119.26 123.31 2k5l h ALA 23 Ca 0.30 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2k5l h ALA 23 Cb -0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 2k5l h ALA 23 CO -0.06 0.44 -0.33 -0.07 0.00 0.00 0.00 179.25 179.23 2k5l h LEU 24 N 1.12 0.64 -0.67 0.00 -0.00 -1.82 -1.25 115.31 113.33 2k5l h LEU 24 Ca 0.32 -0.53 -0.00 0.00 -0.00 0.00 0.00 57.88 57.67 2k5l h LEU 24 Cb -0.08 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.36 2k5l h LEU 24 CO -0.08 1.05 0.41 0.11 -0.00 0.00 0.00 178.44 179.93 2k5l h LYS 25 N 0.25 0.90 -0.87 1.13 1.57 -0.76 -1.37 116.57 117.42 2k5l h LYS 25 Ca 0.02 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2k5l h LYS 25 Cb 0.92 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 2k5l h LYS 25 CO 0.08 0.63 0.53 0.00 -0.57 0.00 0.00 179.45 180.11 2k5l h ARG 26 N 0.91 1.18 -0.19 3.15 2.47 -0.41 0.25 114.38 121.73 2k5l h ARG 26 Ca 0.24 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 2k5l h ARG 26 Cb -0.05 -0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.01 2k5l h ARG 26 CO -0.05 0.83 0.09 -0.09 0.56 0.00 0.00 179.97 181.31 2k5l h ARG 27 N 1.20 0.28 -0.51 0.04 2.43 -0.59 0.41 114.38 117.65 2k5l h ARG 27 Ca 0.31 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 2k5l h ARG 27 Cb -0.05 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2k5l h ARG 27 CO -0.06 0.32 0.29 0.82 -1.51 0.00 0.00 179.97 179.83 2k5l h ILE 28 N 0.18 1.17 -0.25 1.20 2.04 -0.95 -2.22 117.51 118.69 2k5l h ILE 28 Ca 0.07 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 2k5l h ILE 28 Cb 0.14 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2k5l h ILE 28 CO -0.01 0.18 -0.29 0.24 0.00 0.00 0.00 178.15 178.27 2k5l h MET 29 N 0.69 0.49 -0.92 2.37 2.86 -0.76 -1.21 114.93 118.45 2k5l h MET 29 Ca 0.18 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2k5l h MET 29 Cb 0.03 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 2k5l h MET 29 CO -0.03 0.73 0.54 0.22 1.06 0.00 0.00 176.91 179.44 2k5l h ASP 30 N 0.43 1.12 0.61 1.22 1.82 0.20 -1.05 116.42 120.77 2k5l h ASP 30 Ca 0.06 -0.08 -0.04 0.00 -0.39 0.00 0.00 57.03 56.57 2k5l h ASP 30 Cb 0.72 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 2k5l h ASP 30 CO 0.06 0.87 -0.21 0.24 -1.61 0.00 0.00 179.24 178.59 2k5l h MET 31 N 1.28 0.00 0.00 0.28 2.86 -1.19 -3.46 114.93 114.70 2k5l h MET 31 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 2k5l h MET 31 Cb -0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2k5l h MET 31 CO -0.06 0.21 0.00 0.41 1.06 0.00 0.00 176.91 178.53 2k5l n GLY 32 N -0.27 0.51 3.39 8.32 0.00 -0.40 -5.00 105.19 111.74 2k5l n GLY 32 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.30 4.80 0.48 -0.61 1.01 -0.48 -4.90 121.20 120.21 2k5l s ILE 33 Ca 0.00 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.77 2k5l s ILE 33 Cb 0.00 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 2k5l s ILE 33 CO 0.00 -0.34 0.02 0.42 0.00 0.00 0.00 174.94 175.04 2k5l s THR 34 N 1.58 1.21 0.18 2.92 -4.23 -1.26 -2.84 115.64 113.20 2k5l s THR 34 Ca 0.03 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.24 2k5l s THR 34 Cb -0.20 -2.30 -0.08 0.00 1.34 0.00 0.00 72.50 71.25 2k5l s THR 34 CO 0.07 0.00 1.19 0.00 -0.54 0.00 0.00 174.62 175.34 2k5l s ARG 35 N -3.84 4.49 0.00 3.99 1.70 -1.26 -2.45 118.95 121.58 2k5l s ARG 35 Ca 0.12 1.87 0.00 0.00 -0.47 0.00 0.00 55.73 57.25 2k5l s ARG 35 Cb 0.03 -3.24 0.00 0.00 -0.57 0.00 0.00 34.95 31.17 2k5l s ARG 35 CO 0.06 -0.08 0.00 0.41 -1.08 0.00 0.00 175.30 174.61 2k5l n GLY 36 N 2.19 0.62 3.79 3.88 0.00 0.11 -4.99 105.19 110.79 2k5l n GLY 36 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.26 3.79 -0.16 0.00 -1.05 -1.26 -0.64 118.70 117.13 2k5l s GLU 38 Ca 0.53 -0.07 0.02 0.00 -0.15 0.00 0.00 54.97 55.29 2k5l s GLU 38 Cb -0.18 -3.28 0.02 0.00 -0.44 0.00 0.00 34.13 30.24 2k5l s GLU 38 CO 0.23 0.57 -0.20 0.42 0.95 0.00 0.00 175.26 177.24 2k5l s ILE 39 N -0.47 1.98 -0.59 1.83 1.01 0.19 -4.75 121.20 120.41 2k5l s ILE 39 Ca 0.14 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.67 2k5l s ILE 39 Cb -0.12 -1.78 0.07 0.00 0.01 0.00 0.00 42.46 40.64 2k5l s ILE 39 CO 0.03 0.53 0.81 -0.47 0.00 0.00 0.00 174.94 175.85 2k5l s TYR 40 N 1.10 2.87 -0.18 3.97 6.14 -1.10 -1.85 117.35 128.30 2k5l s TYR 40 Ca -0.00 -0.56 -0.29 0.00 0.64 0.00 0.00 57.07 56.85 2k5l s TYR 40 Cb -0.14 -4.00 -0.03 0.00 0.42 0.00 0.00 41.96 38.20 2k5l s TYR 40 CO -0.08 -1.36 1.60 0.42 0.64 0.00 0.00 175.55 176.77 2k5l s ILE 41 N 3.35 3.71 -0.21 3.14 1.09 -0.95 -0.46 121.20 130.88 2k5l s ILE 41 Ca 0.19 0.82 -0.17 0.00 -1.10 0.00 0.00 60.65 60.39 2k5l s ILE 41 Cb -0.19 -3.67 -0.19 0.00 -1.06 0.00 0.00 42.46 37.35 2k5l s ILE 41 CO 0.11 -0.23 0.14 -1.14 -0.10 0.00 0.00 174.94 173.73 2k5l n ARG 42 N 7.47 0.60 -3.57 2.79 0.00 0.75 -0.60 116.66 124.10 2k5l n ARG 42 Ca 0.18 0.47 -0.08 0.00 -0.00 0.00 0.00 57.85 58.42 2k5l n ARG 42 Cb 0.45 -1.70 -0.09 0.00 0.00 0.00 0.00 32.46 31.12 2k5l n ARG 42 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2k5l s LYS 43 N -2.42 0.34 -0.14 -0.14 2.47 -0.05 -4.52 119.74 115.27 2k5l s LYS 43 Ca -0.29 0.93 -0.06 0.00 -1.56 0.00 0.00 55.97 54.99 2k5l s LYS 43 Cb 0.07 0.16 -0.04 0.00 -1.46 0.00 0.00 37.83 36.57 2k5l s LYS 43 CO 0.61 -0.35 0.06 0.08 0.16 0.00 0.00 175.35 175.91 2k5l s VAL 44 N 2.61 4.80 0.16 4.02 1.01 -1.26 0.19 120.40 131.93 2k5l s VAL 44 Ca 0.02 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.78 2k5l s VAL 44 Cb -0.13 -3.11 -0.07 0.00 0.00 0.00 0.00 36.38 33.07 2k5l s VAL 44 CO -0.14 0.53 0.64 0.00 0.00 0.00 0.00 175.10 176.13 2k5l s ALA 45 N -0.27 3.51 0.58 5.51 0.00 -1.15 -4.92 121.76 125.02 2k5l s ALA 45 Ca 0.08 0.05 0.39 0.00 0.00 0.00 0.00 51.96 52.48 2k5l s ALA 45 Cb -0.12 -2.69 2.11 0.00 0.00 0.00 0.00 23.12 22.42 2k5l s ALA 45 CO 0.02 0.38 2.29 -1.35 0.00 0.00 0.00 175.76 177.10 2k5l h PRO 46 N 3.73 0.00 0.00 0.00 0.11 -1.93 0.12 132.00 134.02 2k5l h PRO 46 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2k5l h PRO 46 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2k5l h PRO 46 CO 0.65 0.01 -0.30 -0.07 -0.21 0.00 0.00 178.00 178.08 2k5l h LEU 47 N 0.00 0.00 0.00 2.35 3.38 -1.97 -3.46 115.31 115.60 2k5l h LEU 47 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2k5l h LEU 47 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2k5l h LEU 47 CO 0.00 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2k5l n GLY 48 N 0.44 0.92 3.24 0.83 0.00 0.41 -5.02 105.19 106.01 2k5l n GLY 48 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.88 -0.32 0.36 1.61 -4.77 -1.26 -2.97 116.67 107.44 2k5l s ASP 49 Ca 0.00 0.53 -0.07 0.00 -3.30 0.00 0.00 52.55 49.71 2k5l s ASP 49 Cb 0.00 0.60 -0.05 0.00 -1.09 0.00 0.00 42.92 42.37 2k5l s ASP 49 CO 0.00 -0.22 0.67 -2.16 0.70 0.00 0.00 175.17 174.16 2k5l s PRO 50 N -0.25 3.68 -0.33 2.11 0.04 -1.26 -4.71 135.00 134.28 2k5l s PRO 50 Ca -0.04 0.20 -0.06 0.00 0.04 0.00 0.00 61.00 61.14 2k5l s PRO 50 Cb -0.03 -2.52 0.03 0.00 0.04 0.00 0.00 34.50 32.03 2k5l s PRO 50 CO 0.02 0.07 0.09 0.42 0.04 0.00 0.00 177.00 177.63 2k5l s ILE 51 N -2.28 3.77 -0.27 0.56 1.01 0.18 -2.94 121.20 121.22 2k5l s ILE 51 Ca 0.47 -1.05 -0.25 0.00 0.00 0.00 0.00 60.65 59.82 2k5l s ILE 51 Cb -0.10 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.28 2k5l s ILE 51 CO 0.32 -0.11 0.86 -1.10 0.00 0.00 0.00 174.94 174.91 2k5l s GLN 52 N 1.42 4.09 -0.04 2.79 1.11 0.13 -0.45 119.66 128.71 2k5l s GLN 52 Ca -0.01 0.86 0.06 0.00 0.01 0.00 0.00 55.36 56.28 2k5l s GLN 52 Cb -0.19 -3.69 -0.01 0.00 -1.01 0.00 0.00 33.01 28.11 2k5l s GLN 52 CO 0.02 -0.63 -0.22 0.96 0.01 0.00 0.00 175.29 175.43 2k5l s ILE 53 N 3.01 1.76 -0.42 1.08 -4.36 0.41 -0.18 121.20 122.50 2k5l s ILE 53 Ca 0.36 -0.92 -0.19 0.00 -0.26 0.00 0.00 60.65 59.64 2k5l s ILE 53 Cb -0.14 -1.49 0.02 0.00 1.25 0.00 0.00 42.46 42.10 2k5l s ILE 53 CO 0.10 0.50 0.54 0.21 0.24 0.00 0.00 174.94 176.53 2k5l s ASN 54 N -0.23 6.27 -0.17 4.36 3.84 0.39 0.53 114.94 129.93 2k5l s ASN 54 Ca 0.01 -0.46 0.01 0.00 0.21 0.00 0.00 52.86 52.62 2k5l s ASN 54 Cb -0.11 -2.27 0.02 0.00 -0.55 0.00 0.00 41.25 38.33 2k5l s ASN 54 CO 0.02 -0.67 -0.20 -0.69 -2.79 0.00 0.00 177.10 172.77 2k5l s VAL 55 N 2.49 2.00 -2.13 -5.21 1.01 0.78 -2.70 120.40 116.65 2k5l s VAL 55 Ca 0.18 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2k5l s VAL 55 Cb -0.15 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.42 2k5l s VAL 55 CO 0.16 0.53 0.00 0.54 0.00 0.00 0.00 175.10 176.33 2k5l n ARG 56 N 4.55 -1.46 -0.05 2.72 1.74 -1.26 -1.16 116.66 121.74 2k5l n ARG 56 Ca -0.20 1.19 0.00 0.00 -0.77 0.00 0.00 57.85 58.07 2k5l n ARG 56 Cb 0.50 -5.61 0.00 0.00 -1.02 0.00 0.00 32.46 26.34 2k5l n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k5l n GLY 57 N -0.52 0.48 3.32 -0.13 0.00 -1.26 -5.06 105.19 102.01 2k5l n GLY 57 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.11 2.68 -0.44 1.61 5.04 -0.31 -5.09 117.35 118.75 2k5l s TYR 58 Ca 0.00 -0.74 -0.25 0.00 -2.44 0.00 0.00 57.07 53.64 2k5l s TYR 58 Cb 0.00 -1.76 0.02 0.00 0.35 0.00 0.00 41.96 40.58 2k5l s TYR 58 CO 0.00 -0.24 0.92 -1.83 -1.34 0.00 0.00 175.55 173.06 2k5l s GLU 59 N 0.20 3.61 -0.19 4.97 -1.05 -1.26 -0.15 118.70 124.83 2k5l s GLU 59 Ca -0.11 0.26 -0.14 0.00 -0.15 0.00 0.00 54.97 54.83 2k5l s GLU 59 Cb -0.16 -3.89 -0.04 0.00 -0.44 0.00 0.00 34.13 29.59 2k5l s GLU 59 CO 0.06 -1.15 0.32 -0.51 0.95 0.00 0.00 175.26 174.93 2k5l s LEU 60 N 3.68 4.19 -0.53 1.83 1.43 0.19 -4.87 118.68 124.60 2k5l s LEU 60 Ca 0.37 0.46 -0.22 0.00 -1.03 0.00 0.00 54.13 53.71 2k5l s LEU 60 Cb -0.11 -2.40 0.05 0.00 0.03 0.00 0.00 46.19 43.76 2k5l s LEU 60 CO 0.24 0.02 0.81 -0.94 0.23 0.00 0.00 176.35 176.72 2k5l s SER 61 N 0.78 6.30 -0.13 2.29 1.04 -1.26 -0.45 113.70 122.27 2k5l s SER 61 Ca 0.16 -0.54 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 2k5l s SER 61 Cb -0.14 -2.38 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 2k5l s SER 61 CO 0.06 -1.08 -0.11 -0.22 0.98 0.00 0.00 173.24 172.87 2k5l s LEU 62 N 3.42 2.86 0.72 2.42 2.96 0.40 -4.88 118.68 126.58 2k5l s LEU 62 Ca 0.25 -0.27 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 2k5l s LEU 62 Cb -0.15 -1.65 0.06 0.00 0.50 0.00 0.00 46.19 44.95 2k5l s LEU 62 CO 0.17 0.18 1.05 -0.13 -1.32 0.00 0.00 176.35 176.29 2k5l s ARG 63 N 0.29 2.23 0.39 1.98 0.52 -1.26 0.49 118.95 123.58 2k5l s ARG 63 Ca -0.08 -0.10 0.09 0.00 -0.52 0.00 0.00 55.73 55.11 2k5l s ARG 63 Cb -0.15 -2.11 0.85 0.00 0.52 0.00 0.00 34.95 34.05 2k5l s ARG 63 CO 0.05 -1.27 1.96 1.57 0.02 0.00 0.00 175.30 177.63 2k5l h LYS 64 N -0.68 0.61 -0.04 3.54 2.10 -1.92 -2.18 116.57 118.01 2k5l h LYS 64 Ca -0.45 -0.04 0.04 0.00 -2.00 0.00 0.00 60.65 58.20 2k5l h LYS 64 Cb 1.31 -0.14 -0.05 0.00 -0.90 0.00 0.00 32.23 32.46 2k5l h LYS 64 CO 0.62 0.40 -0.25 0.77 -2.00 0.00 0.00 179.45 178.99 2k5l h SER 65 N 0.63 -0.75 0.68 7.07 0.02 -1.93 0.47 113.55 119.74 2k5l h SER 65 Ca 0.31 0.11 -0.19 0.00 -0.84 0.00 0.00 61.79 61.17 2k5l h SER 65 Cb 0.38 0.31 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 2k5l h SER 65 CO -0.10 -0.31 -0.87 0.00 -1.14 0.00 0.00 176.83 174.41 2k5l h ALA 66 N 0.49 0.55 0.00 3.77 0.00 -1.90 -3.18 119.26 119.00 2k5l h ALA 66 Ca 0.07 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 2k5l h ALA 66 Cb 0.47 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2k5l h ALA 66 CO -0.25 0.97 -0.16 0.00 0.00 0.00 0.00 179.25 179.81 2k5l h ALA 67 N 1.04 1.28 0.00 0.00 0.00 -0.77 -0.76 119.26 120.05 2k5l h ALA 67 Ca -0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2k5l h ALA 67 Cb 1.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 2k5l h ALA 67 CO 0.13 0.20 -0.51 0.93 0.00 0.00 0.00 179.25 179.99 2k5l h GLU 68 N 0.00 0.00 0.00 0.00 5.08 -0.91 -0.58 114.58 118.17 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 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k5l h GLU 68 CO 0.02 0.51 -0.27 -1.33 -1.00 0.00 0.00 179.01 176.94 2k5l n MET 69 N -3.27 0.10 -3.37 2.33 2.81 -0.33 -4.69 117.12 110.70 2k5l n MET 69 Ca 0.02 0.05 -0.42 0.00 -1.81 0.00 0.00 57.70 55.54 2k5l n MET 69 Cb 0.71 -1.59 -0.09 0.00 -0.71 0.00 0.00 33.22 31.55 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 -3.05 5.14 -0.31 2.02 1.01 -0.99 -0.88 121.20 124.15 2k5l s ILE 70 Ca 0.11 -0.19 -0.27 0.00 0.00 0.00 0.00 60.65 60.30 2k5l s ILE 70 Cb 0.16 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.71 2k5l s ILE 70 CO 0.63 -0.26 0.96 -0.70 0.00 0.00 0.00 174.94 175.57 2k5l s GLU 71 N 2.05 4.05 0.24 2.79 2.56 0.45 -1.08 118.70 129.76 2k5l s GLU 71 Ca 0.11 0.91 0.11 0.00 0.00 0.00 0.00 54.97 56.11 2k5l s GLU 71 Cb -0.17 -3.72 -0.05 0.00 2.00 0.00 0.00 34.13 32.19 2k5l s GLU 71 CO 0.12 -0.79 -0.20 0.14 -0.56 0.00 0.00 175.26 173.98 2k5l s VAL 72 N 3.34 2.29 0.01 3.70 -7.23 -0.50 -1.19 120.40 120.81 2k5l s VAL 72 Ca 0.40 -2.28 0.04 0.00 -1.81 0.00 0.00 61.98 58.34 2k5l s VAL 72 Cb -0.13 -2.19 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 2k5l s VAL 72 CO 0.13 -0.38 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.72 2k5l s GLU 73 N -3.33 0.97 1.06 4.82 2.56 0.10 -4.75 118.70 120.13 2k5l s GLU 73 Ca 0.26 -0.56 -0.14 0.00 0.00 0.00 0.00 54.97 54.53 2k5l s GLU 73 Cb -0.05 -0.95 0.22 0.00 2.00 0.00 0.00 34.13 35.35 2k5l s GLU 73 CO 0.12 0.25 1.09 -0.51 -0.56 0.00 0.00 175.26 175.65 2k5l s LEU 74 N -0.62 1.30 1.07 2.70 2.01 -1.26 0.49 118.68 124.36 2k5l s LEU 74 Ca 0.03 1.11 -0.14 0.00 0.01 0.00 0.00 54.13 55.14 2k5l s LEU 74 Cb -0.06 -3.17 0.23 0.00 0.01 0.00 0.00 46.19 43.19 2k5l s LEU 74 CO 0.00 -3.46 1.09 -1.83 1.01 0.00 0.00 176.35 173.16 2k5l s GLU 75 N -4.98 -0.17 -0.18 1.70 4.04 -1.16 -4.63 118.70 113.32 2k5l s GLU 75 Ca 0.67 0.37 0.16 0.00 0.04 0.00 0.00 54.97 56.21 2k5l s GLU 75 Cb -0.18 -1.68 0.44 0.00 0.02 0.00 0.00 34.13 32.73 2k5l s GLU 75 CO 0.58 -3.10 1.19 0.72 -1.84 0.00 0.00 175.26 172.81 2k5l n HIS 76 N -4.41 0.69 0.24 4.83 8.25 -1.26 -4.79 115.22 118.77 2k5l n HIS 76 Ca 0.07 -1.45 0.10 0.00 -0.26 0.00 0.00 57.72 56.18 2k5l n HIS 76 Cb 0.58 -0.24 0.61 0.00 1.12 0.00 0.00 29.99 32.06 2k5l n HIS 76 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2k5l h HIS 77 N 1.43 0.00 -0.25 4.41 6.17 -2.00 0.32 115.15 125.23 2k5l h HIS 77 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.07 2k5l h HIS 77 Cb 1.38 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.31 2k5l h HIS 77 CO 0.59 0.18 0.00 1.58 0.71 0.00 0.00 177.93 180.99 2k5l n HIS 78 N -3.70 0.47 0.05 5.26 -0.00 -1.26 -4.24 115.22 111.80 2k5l n HIS 78 Ca -0.02 -0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.50 2k5l n HIS 78 Cb 0.30 -0.07 0.00 0.00 -0.00 0.00 0.00 29.99 30.22 2k5l n HIS 78 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5l n HIS 79 N 0.26 -0.76 -3.13 1.57 8.25 -0.27 -5.10 115.22 116.03 2k5l n HIS 79 Ca 0.09 0.13 -0.16 0.00 -0.26 0.00 0.00 57.72 57.53 2k5l n HIS 79 Cb 0.33 0.31 0.02 0.00 1.12 0.00 0.00 29.99 31.76 2k5l n HIS 79 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k5l n HIS 80 N -3.01 -3.09 -0.50 4.41 -0.00 0.98 -5.15 115.22 108.86 2k5l n HIS 80 Ca 0.00 1.25 0.00 0.00 0.46 0.00 0.00 57.72 59.43 2k5l n HIS 80 Cb 0.00 -3.40 0.00 0.00 -0.12 0.00 0.00 29.99 26.47 2k5l n HIS 80 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38