#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 3.22 0.30 1.12 5.36 -1.26 -5.10 117.98 121.61 2k5l s PHE 2 Ca 0.00 -1.53 0.02 0.00 -0.96 0.00 0.00 56.93 54.46 2k5l s PHE 2 Cb 0.00 -2.19 -0.03 0.00 -0.34 0.00 0.00 43.02 40.46 2k5l s PHE 2 CO 0.00 -0.73 0.48 -1.12 -1.46 0.00 0.00 175.22 172.38 2k5l s SER 3 N 1.36 6.31 0.25 6.13 0.01 -1.26 -3.75 113.70 122.75 2k5l s SER 3 Ca -0.02 0.34 -0.05 0.00 1.31 0.00 0.00 55.95 57.53 2k5l s SER 3 Cb -0.19 -1.98 0.28 0.00 0.21 0.00 0.00 66.02 64.34 2k5l s SER 3 CO 0.01 -0.20 1.89 0.25 0.41 0.00 0.00 173.24 175.59 2k5l h LEU 4 N 1.03 1.08 -1.58 2.44 7.12 -1.17 0.04 115.31 124.26 2k5l h LEU 4 Ca -0.50 -0.08 0.30 0.00 0.13 0.00 0.00 57.88 57.73 2k5l h LEU 4 Cb 1.22 -0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 41.03 2k5l h LEU 4 CO 0.62 0.84 0.99 -0.09 -0.13 0.00 0.00 178.44 180.67 2k5l h ARG 5 N 1.23 0.00 -0.03 1.25 2.43 -1.09 0.22 114.38 118.40 2k5l h ARG 5 Ca 0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2k5l h ARG 5 Cb -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2k5l h ARG 5 CO -0.06 0.00 -0.06 -0.25 -1.51 0.00 0.00 179.97 178.10 2k5l n ASP 6 N -3.61 2.88 -4.80 -3.80 9.92 -0.01 -4.94 116.55 112.20 2k5l n ASP 6 Ca 0.22 -1.94 -0.34 0.00 -0.53 0.00 0.00 54.79 52.20 2k5l n ASP 6 Cb 1.31 0.06 -0.02 0.00 -0.64 0.00 0.00 41.12 41.83 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 -2.05 2.83 0.34 2.24 0.00 0.76 -4.98 121.76 120.92 2k5l s ALA 7 Ca 0.27 0.58 0.06 0.00 0.00 0.00 0.00 51.96 52.87 2k5l s ALA 7 Cb 0.20 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 2k5l s ALA 7 CO 0.33 -0.45 0.48 0.15 0.00 0.00 0.00 175.76 176.28 2k5l s LYS 8 N -3.40 3.11 0.00 0.00 3.01 -1.26 -4.96 119.74 116.24 2k5l s LYS 8 Ca 0.67 -0.97 0.00 0.00 -1.01 0.00 0.00 55.97 54.66 2k5l s LYS 8 Cb -0.17 -2.80 0.00 0.00 -1.01 0.00 0.00 37.83 33.85 2k5l s LYS 8 CO 0.24 0.04 0.77 0.00 0.51 0.00 0.00 175.35 176.91 2k5l n GLY 10 N 0.37 0.72 3.46 0.00 0.00 -1.23 -4.59 105.19 103.91 2k5l n GLY 10 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 2.24 -0.28 1.61 -0.21 -1.04 -5.04 119.66 116.95 2k5l s GLN 11 Ca 0.00 -0.87 -0.21 0.00 0.02 0.00 0.00 55.36 54.30 2k5l s GLN 11 Cb 0.00 -2.26 -0.01 0.00 1.00 0.00 0.00 33.01 31.74 2k5l s GLN 11 CO 0.00 0.57 0.66 0.99 -2.12 0.00 0.00 175.29 175.39 2k5l s THR 12 N -0.85 4.93 0.12 -0.19 2.01 -1.26 -3.08 115.64 117.32 2k5l s THR 12 Ca 0.13 1.04 0.08 0.00 0.31 0.00 0.00 61.69 63.26 2k5l s THR 12 Cb -0.11 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2k5l s THR 12 CO 0.03 -0.09 -0.13 0.68 -0.69 0.00 0.00 174.62 174.43 2k5l s VAL 13 N 2.63 3.18 -0.12 3.82 -7.23 0.26 -1.50 120.40 121.44 2k5l s VAL 13 Ca 0.27 -1.40 -0.00 0.00 -1.81 0.00 0.00 61.98 59.04 2k5l s VAL 13 Cb -0.15 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 34.33 2k5l s VAL 13 CO 0.10 0.08 -0.08 -0.75 -0.31 0.00 0.00 175.10 174.14 2k5l s LYS 14 N -2.27 1.60 0.04 4.82 2.20 0.14 -0.17 119.74 126.10 2k5l s LYS 14 Ca 0.21 -0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 55.19 2k5l s LYS 14 Cb -0.11 -1.71 -0.05 0.00 -1.51 0.00 0.00 37.83 34.45 2k5l s LYS 14 CO 0.13 -0.29 1.24 0.08 -0.36 0.00 0.00 175.35 176.15 2k5l s VAL 15 N 1.67 3.97 -0.07 4.02 1.01 -0.81 0.19 120.40 130.38 2k5l s VAL 15 Ca 0.04 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.42 2k5l s VAL 15 Cb -0.13 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2k5l s VAL 15 CO -0.08 0.08 -0.06 1.33 0.00 0.00 0.00 175.10 176.36 2k5l n VAL 16 N 4.11 0.40 -3.99 2.92 0.24 -0.09 0.59 118.33 122.52 2k5l n VAL 16 Ca 0.10 -0.15 -0.09 0.00 -2.04 0.00 0.00 64.34 62.16 2k5l n VAL 16 Cb 0.46 -0.77 -0.11 0.00 -1.47 0.00 0.00 33.84 31.95 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 0.38 -0.20 7.34 2.20 -0.59 -4.58 119.74 122.15 2k5l s LYS 17 Ca -0.09 -0.70 0.01 0.00 -0.36 0.00 0.00 55.97 54.83 2k5l s LYS 17 Cb 0.02 0.14 0.04 0.00 -1.51 0.00 0.00 37.83 36.52 2k5l s LYS 17 CO 0.16 -0.07 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.46 2k5l s LEU 18 N -1.71 2.35 0.60 5.43 1.43 -1.26 0.29 118.68 125.80 2k5l s LEU 18 Ca -0.12 -0.90 -0.03 0.00 -1.03 0.00 0.00 54.13 52.05 2k5l s LEU 18 Cb -0.07 -1.28 0.03 0.00 0.03 0.00 0.00 46.19 44.91 2k5l s LEU 18 CO -0.02 -0.14 0.87 -1.00 0.23 0.00 0.00 176.35 176.29 2k5l s HIS 19 N 1.37 3.02 -3.63 0.29 3.76 0.38 -4.95 115.29 115.52 2k5l s HIS 19 Ca -0.01 0.33 0.00 0.00 -0.15 0.00 0.00 55.06 55.22 2k5l s HIS 19 Cb -0.16 -2.83 0.00 0.00 1.11 0.00 0.00 32.58 30.70 2k5l s HIS 19 CO -0.08 -0.96 0.00 0.41 -0.85 0.00 0.00 174.74 173.25 2k5l n GLY 20 N -2.55 0.94 1.59 -2.22 0.00 -1.26 -4.42 105.19 97.27 2k5l n GLY 20 Ca 0.06 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 2k5l n GLY 20 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k5l n THR 21 N 0.07 2.08 0.00 2.61 -1.04 -1.26 -4.90 114.28 111.84 2k5l n THR 21 Ca 0.00 -0.95 0.00 0.00 -2.04 0.00 0.00 64.05 61.06 2k5l n THR 21 Cb 0.00 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 2k5l n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k5l n GLY 22 N -0.18 1.50 0.36 3.41 0.00 -1.26 -4.51 105.19 104.51 2k5l n GLY 22 Ca 0.27 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.31 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 1.54 -0.01 4.61 0.00 -1.99 0.15 119.26 123.56 2k5l h ALA 23 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2k5l h ALA 23 Cb 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.54 2k5l h ALA 23 CO 0.00 0.33 -0.39 1.25 0.00 0.00 0.00 179.25 180.44 2k5l h LEU 24 N 0.99 0.35 -1.27 0.00 7.12 -1.94 -2.41 115.31 118.15 2k5l h LEU 24 Ca 0.38 -0.76 -0.08 0.00 0.13 0.00 0.00 57.88 57.56 2k5l h LEU 24 Cb 0.21 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 2k5l h LEU 24 CO -0.14 1.06 -0.34 0.07 -0.13 0.00 0.00 178.44 178.96 2k5l h LYS 25 N -0.32 0.04 -0.16 1.25 5.09 -1.66 -1.42 116.57 119.38 2k5l h LYS 25 Ca -0.05 -0.02 -0.20 0.00 0.09 0.00 0.00 60.65 60.48 2k5l h LYS 25 Cb 1.12 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.45 2k5l h LYS 25 CO 0.08 0.38 -0.70 -0.09 -2.09 0.00 0.00 179.45 177.03 2k5l h ARG 26 N 0.04 0.69 -0.77 0.07 2.43 -0.80 -3.06 114.38 112.97 2k5l h ARG 26 Ca 0.00 -0.52 0.07 0.00 -0.81 0.00 0.00 59.98 58.72 2k5l h ARG 26 Cb 0.63 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 2k5l h ARG 26 CO 0.05 1.14 0.50 -0.09 -1.51 0.00 0.00 179.97 180.06 2k5l h ARG 27 N 0.49 0.77 -0.07 0.20 9.65 -0.76 0.18 114.38 124.85 2k5l h ARG 27 Ca -0.03 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 2k5l h ARG 27 Cb 1.30 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 29.71 2k5l h ARG 27 CO 0.14 0.51 0.02 0.82 2.80 0.00 0.00 179.97 184.26 2k5l h ILE 28 N 0.80 1.17 -0.19 1.20 2.04 -1.29 -3.02 117.51 118.22 2k5l h ILE 28 Ca 0.34 -0.50 -0.10 0.00 1.00 0.00 0.00 64.86 65.59 2k5l h ILE 28 Cb 0.28 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2k5l h ILE 28 CO -0.12 0.14 -0.32 0.24 0.00 0.00 0.00 178.15 178.10 2k5l h MET 29 N -0.08 0.37 0.00 2.37 2.86 -1.01 -2.36 114.93 117.08 2k5l h MET 29 Ca 0.02 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 2k5l h MET 29 Cb 0.21 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 2k5l h MET 29 CO -0.00 0.65 -0.03 0.22 1.06 0.00 0.00 176.91 178.81 2k5l h ASP 30 N 0.32 0.00 1.04 1.22 3.58 -0.59 -0.98 116.42 121.02 2k5l h ASP 30 Ca 0.04 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.40 2k5l h ASP 30 Cb 0.72 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 2k5l h ASP 30 CO 0.06 0.03 -1.00 0.24 -2.88 0.00 0.00 179.24 175.69 2k5l h MET 31 N 0.00 0.00 0.00 0.28 2.86 -1.31 -3.48 114.93 113.28 2k5l h MET 31 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k5l h MET 31 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2k5l h MET 31 CO 0.00 0.20 0.00 0.41 1.06 0.00 0.00 176.91 178.59 2k5l n GLY 32 N 1.27 1.40 3.55 8.32 0.00 -0.37 -5.08 105.19 114.28 2k5l n GLY 32 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.08 3.56 0.48 -0.61 1.09 -1.03 -4.84 121.20 119.76 2k5l s ILE 33 Ca 0.00 0.02 0.06 0.00 -1.10 0.00 0.00 60.65 59.62 2k5l s ILE 33 Cb 0.00 -4.40 -0.01 0.00 -1.06 0.00 0.00 42.46 37.00 2k5l s ILE 33 CO 0.00 -1.34 0.27 0.42 -0.10 0.00 0.00 174.94 174.19 2k5l s THR 34 N 7.72 1.96 -0.19 2.92 -4.23 -1.26 -2.44 115.64 120.12 2k5l s THR 34 Ca 0.55 -1.60 -0.29 0.00 -1.18 0.00 0.00 61.69 59.17 2k5l s THR 34 Cb -0.08 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2k5l s THR 34 CO 0.11 0.00 1.08 0.00 -0.54 0.00 0.00 174.62 175.27 2k5l s ARG 35 N -4.08 4.28 0.00 3.99 1.70 -1.26 -3.33 118.95 120.26 2k5l s ARG 35 Ca 0.35 1.44 0.00 0.00 -0.47 0.00 0.00 55.73 57.05 2k5l s ARG 35 Cb 0.00 -3.64 0.00 0.00 -0.57 0.00 0.00 34.95 30.74 2k5l s ARG 35 CO 0.20 -0.59 0.00 0.41 -1.08 0.00 0.00 175.30 174.25 2k5l n GLY 36 N 3.34 1.32 3.54 3.88 0.00 0.20 -4.97 105.19 112.50 2k5l n GLY 36 Ca 0.12 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.76 4.12 -0.03 0.00 2.02 -1.26 -1.92 118.70 118.86 2k5l s GLU 38 Ca 0.24 0.06 0.02 0.00 0.02 0.00 0.00 54.97 55.31 2k5l s GLU 38 Cb -0.09 -3.38 0.01 0.00 0.10 0.00 0.00 34.13 30.78 2k5l s GLU 38 CO 0.14 0.36 -0.07 0.42 0.02 0.00 0.00 175.26 176.12 2k5l s ILE 39 N 0.12 0.66 -0.25 -1.63 1.01 0.76 -2.06 121.20 119.81 2k5l s ILE 39 Ca 0.16 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.45 2k5l s ILE 39 Cb -0.13 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 2k5l s ILE 39 CO 0.04 0.23 0.13 -0.47 0.00 0.00 0.00 174.94 174.87 2k5l s TYR 40 N 0.44 3.20 -0.28 3.97 5.04 -0.60 -0.57 117.35 128.54 2k5l s TYR 40 Ca -0.06 -0.03 -0.29 0.00 -2.44 0.00 0.00 57.07 54.25 2k5l s TYR 40 Cb -0.10 -2.28 0.01 0.00 0.35 0.00 0.00 41.96 39.94 2k5l s TYR 40 CO 0.00 -0.14 1.06 0.42 -1.34 0.00 0.00 175.55 175.56 2k5l s ILE 41 N 1.42 4.57 -0.19 3.14 -1.09 -1.18 -1.46 121.20 126.42 2k5l s ILE 41 Ca 0.06 1.85 -0.18 0.00 -2.23 0.00 0.00 60.65 60.16 2k5l s ILE 41 Cb -0.15 -4.37 -0.20 0.00 -1.58 0.00 0.00 42.46 36.15 2k5l s ILE 41 CO 0.06 -0.36 0.22 -1.14 -1.23 0.00 0.00 174.94 172.49 2k5l n ARG 42 N 6.66 0.61 -3.63 2.79 3.00 0.10 -3.50 116.66 122.68 2k5l n ARG 42 Ca 0.12 0.50 -0.15 0.00 -0.00 0.00 0.00 57.85 58.31 2k5l n ARG 42 Cb 0.47 -1.73 -0.07 0.00 0.00 0.00 0.00 32.46 31.12 2k5l n ARG 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2k5l s LYS 43 N -2.41 0.83 -0.14 -0.14 1.02 -1.14 -4.71 119.74 113.05 2k5l s LYS 43 Ca -0.28 0.36 0.02 0.00 0.02 0.00 0.00 55.97 56.09 2k5l s LYS 43 Cb 0.06 0.39 0.01 0.00 -0.52 0.00 0.00 37.83 37.77 2k5l s LYS 43 CO 0.63 -0.21 -0.21 0.08 -0.92 0.00 0.00 175.35 174.72 2k5l s VAL 44 N -0.68 2.20 0.45 3.17 1.01 -1.26 -0.39 120.40 124.89 2k5l s VAL 44 Ca -0.08 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 60.73 2k5l s VAL 44 Cb -0.03 -1.89 -0.08 0.00 0.00 0.00 0.00 36.38 34.39 2k5l s VAL 44 CO 0.05 0.54 1.18 0.00 0.00 0.00 0.00 175.10 176.88 2k5l s ALA 45 N 0.78 3.03 0.54 5.51 0.00 -1.23 -4.92 121.76 125.46 2k5l s ALA 45 Ca -0.07 0.97 0.20 0.00 0.00 0.00 0.00 51.96 53.06 2k5l s ALA 45 Cb -0.16 -3.39 1.41 0.00 0.00 0.00 0.00 23.12 20.98 2k5l s ALA 45 CO -0.01 -0.66 2.16 -1.00 0.00 0.00 0.00 175.76 176.25 2k5l h PRO 46 N 2.20 0.00 -0.02 0.00 0.13 -1.95 -0.12 132.00 132.25 2k5l h PRO 46 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k5l h PRO 46 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k5l h PRO 46 CO 0.61 0.00 -0.07 1.47 -0.23 0.00 0.00 178.00 179.78 2k5l n LEU 47 N -4.36 1.64 0.00 1.56 -0.00 -1.26 -4.98 117.00 109.60 2k5l n LEU 47 Ca -0.02 -0.54 0.00 0.00 -0.00 0.00 0.00 56.01 55.45 2k5l n LEU 47 Cb 0.13 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.53 2k5l n LEU 47 CO 0.33 0.28 0.00 0.61 -0.00 0.00 0.00 177.39 178.61 2k5l n GLY 48 N 1.24 2.27 3.58 1.47 0.00 -0.06 -5.04 105.19 108.65 2k5l n GLY 48 Ca 0.17 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.70 3.97 0.28 1.61 1.47 -1.26 -3.55 116.67 118.48 2k5l s ASP 49 Ca 0.00 -1.03 -0.21 0.00 1.18 0.00 0.00 52.55 52.49 2k5l s ASP 49 Cb 0.00 -0.46 -0.09 0.00 -0.34 0.00 0.00 42.92 42.03 2k5l s ASP 49 CO 0.00 -0.16 0.79 -2.16 0.68 0.00 0.00 175.17 174.32 2k5l s PRO 50 N -3.64 4.29 -0.20 2.11 0.05 -1.26 -4.74 135.00 131.61 2k5l s PRO 50 Ca 0.33 0.96 -0.16 0.00 0.05 0.00 0.00 61.00 62.18 2k5l s PRO 50 Cb -0.01 -2.74 -0.04 0.00 0.05 0.00 0.00 34.50 31.76 2k5l s PRO 50 CO 0.18 0.30 0.41 0.42 0.05 0.00 0.00 177.00 178.36 2k5l s ILE 51 N -1.66 5.19 -0.45 0.56 1.09 0.75 -3.71 121.20 122.97 2k5l s ILE 51 Ca 0.48 0.74 -0.28 0.00 -1.10 0.00 0.00 60.65 60.49 2k5l s ILE 51 Cb -0.16 -3.74 0.03 0.00 -1.06 0.00 0.00 42.46 37.53 2k5l s ILE 51 CO 0.20 0.24 1.07 -1.10 -0.10 0.00 0.00 174.94 175.26 2k5l s GLN 52 N 1.33 3.74 0.13 2.79 -1.52 0.48 0.15 119.66 126.75 2k5l s GLN 52 Ca 0.20 0.56 0.09 0.00 -1.95 0.00 0.00 55.36 54.25 2k5l s GLN 52 Cb -0.15 -3.88 -0.04 0.00 -0.22 0.00 0.00 33.01 28.72 2k5l s GLN 52 CO 0.08 -1.26 -0.21 0.96 -0.25 0.00 0.00 175.29 174.62 2k5l s ILE 53 N 4.15 1.86 -0.25 1.08 -5.25 -0.29 0.01 121.20 122.51 2k5l s ILE 53 Ca 0.45 -1.73 0.02 0.00 -0.99 0.00 0.00 60.65 58.40 2k5l s ILE 53 Cb -0.09 -1.74 0.06 0.00 2.95 0.00 0.00 42.46 43.64 2k5l s ILE 53 CO 0.28 -0.13 -0.09 0.21 -1.79 0.00 0.00 174.94 173.42 2k5l s ASN 54 N -2.23 4.16 -0.18 4.36 3.84 -0.53 -0.54 114.94 123.82 2k5l s ASN 54 Ca 0.11 -1.29 -0.05 0.00 0.21 0.00 0.00 52.86 51.85 2k5l s ASN 54 Cb -0.08 -1.39 -0.03 0.00 -0.55 0.00 0.00 41.25 39.20 2k5l s ASN 54 CO 0.06 -0.20 -0.01 0.54 -2.79 0.00 0.00 177.10 174.70 2k5l s VAL 55 N 1.23 4.04 0.00 -5.21 0.11 0.20 -1.55 120.40 119.22 2k5l s VAL 55 Ca -0.07 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 2k5l s VAL 55 Cb -0.19 -2.80 0.00 0.00 -1.53 0.00 0.00 36.38 31.85 2k5l s VAL 55 CO -0.06 0.46 0.00 0.54 -3.33 0.00 0.00 175.10 172.71 2k5l n ARG 56 N 3.87 0.00 -1.94 1.54 5.12 -0.87 0.17 116.66 124.56 2k5l n ARG 56 Ca -0.17 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.74 2k5l n ARG 56 Cb 0.52 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.85 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 0.00 1.28 2.95 -0.13 0.00 -1.26 -4.99 105.19 103.05 2k5l n GLY 57 Ca 0.00 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.84 1.11 -0.26 1.61 5.04 0.13 -5.12 117.35 119.01 2k5l s TYR 58 Ca 0.18 -0.38 -0.08 0.00 -2.44 0.00 0.00 57.07 54.34 2k5l s TYR 58 Cb 0.28 -0.88 -0.03 0.00 0.35 0.00 0.00 41.96 41.69 2k5l s TYR 58 CO -0.09 -0.25 0.09 -1.83 -1.34 0.00 0.00 175.55 172.13 2k5l s GLU 59 N 0.85 3.61 0.30 4.97 -1.05 -1.26 0.62 118.70 126.74 2k5l s GLU 59 Ca -0.12 -0.51 0.02 0.00 -0.15 0.00 0.00 54.97 54.21 2k5l s GLU 59 Cb -0.15 -3.37 -0.05 0.00 -0.44 0.00 0.00 34.13 30.12 2k5l s GLU 59 CO 0.01 -0.23 0.10 -0.51 0.95 0.00 0.00 175.26 175.58 2k5l s LEU 60 N 1.62 1.84 -0.22 1.83 1.43 0.30 -4.97 118.68 120.50 2k5l s LEU 60 Ca 0.06 -1.44 -0.12 0.00 -1.03 0.00 0.00 54.13 51.61 2k5l s LEU 60 Cb -0.15 -0.09 -0.05 0.00 0.03 0.00 0.00 46.19 45.93 2k5l s LEU 60 CO 0.04 -0.74 0.21 -0.44 0.23 0.00 0.00 176.35 175.65 2k5l s SER 61 N -3.40 6.22 0.04 2.29 0.01 -1.26 -1.14 113.70 116.46 2k5l s SER 61 Ca 0.36 0.25 0.01 0.00 1.31 0.00 0.00 55.95 57.88 2k5l s SER 61 Cb 0.07 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 2k5l s SER 61 CO 0.15 0.07 0.09 -0.22 0.41 0.00 0.00 173.24 173.74 2k5l s LEU 62 N 0.88 3.87 0.52 2.44 2.96 0.12 -4.85 118.68 124.61 2k5l s LEU 62 Ca 0.11 0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 54.00 2k5l s LEU 62 Cb -0.13 -2.42 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 2k5l s LEU 62 CO 0.04 0.22 0.88 -0.60 -1.32 0.00 0.00 176.35 175.56 2k5l s ARG 63 N -2.11 3.65 0.08 1.98 6.06 -1.26 -0.18 118.95 127.16 2k5l s ARG 63 Ca 0.27 0.51 -0.22 0.00 -2.50 0.00 0.00 55.73 53.79 2k5l s ARG 63 Cb -0.12 -2.26 -0.12 0.00 0.06 0.00 0.00 34.95 32.51 2k5l s ARG 63 CO 0.19 -0.30 1.63 -0.22 -2.50 0.00 0.00 175.30 174.10 2k5l h LYS 64 N 0.31 0.15 -0.50 5.12 3.64 -1.93 0.00 116.57 123.35 2k5l h LYS 64 Ca -0.46 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 58.83 2k5l h LYS 64 Cb 1.19 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2k5l h LYS 64 CO 0.62 0.24 0.05 0.66 -2.27 0.00 0.00 179.45 178.75 2k5l h SER 65 N 0.03 0.83 -0.68 4.20 4.64 -1.98 -2.73 113.55 117.86 2k5l h SER 65 Ca 0.04 -0.28 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 2k5l h SER 65 Cb 0.14 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 2k5l h SER 65 CO -0.00 0.90 0.30 0.00 -0.87 0.00 0.00 176.83 177.15 2k5l h ALA 66 N 0.96 0.88 0.00 5.18 0.00 -1.93 -2.31 119.26 122.04 2k5l h ALA 66 Ca 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k5l h ALA 66 Cb 0.45 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k5l h ALA 66 CO 0.02 0.48 -0.12 0.00 0.00 0.00 0.00 179.25 179.62 2k5l h ALA 67 N 1.13 1.44 -0.02 0.00 0.00 -0.70 -1.02 119.26 120.09 2k5l h ALA 67 Ca 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k5l h ALA 67 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k5l h ALA 67 CO -0.02 0.15 -0.19 -0.85 0.00 0.00 0.00 179.25 178.34 2k5l n GLU 68 N -3.87 1.73 0.00 0.00 0.28 -1.04 -0.45 120.64 117.29 2k5l n GLU 68 Ca -0.02 -1.37 0.11 0.00 -0.16 0.00 0.00 57.16 55.72 2k5l n GLU 68 Cb 0.22 -1.47 -0.00 0.00 1.43 0.00 0.00 31.44 31.61 2k5l n GLU 68 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2k5l n MET 69 N 0.56 0.10 -3.20 3.44 2.81 -0.44 -4.89 117.12 115.49 2k5l n MET 69 Ca 0.13 -0.07 -0.40 0.00 -1.81 0.00 0.00 57.70 55.54 2k5l n MET 69 Cb 0.50 -1.50 -0.07 0.00 -0.71 0.00 0.00 33.22 31.45 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 -2.96 5.06 -0.42 2.02 1.01 -0.84 -0.47 121.20 124.60 2k5l s ILE 70 Ca 0.10 0.99 -0.29 0.00 0.00 0.00 0.00 60.65 61.45 2k5l s ILE 70 Cb 0.17 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.79 2k5l s ILE 70 CO 0.80 0.11 1.10 -0.70 0.00 0.00 0.00 174.94 176.25 2k5l s GLU 71 N 2.07 3.85 0.30 2.79 2.12 0.15 -3.28 118.70 126.69 2k5l s GLU 71 Ca 0.24 0.74 0.10 0.00 0.36 0.00 0.00 54.97 56.41 2k5l s GLU 71 Cb -0.16 -3.84 -0.06 0.00 0.26 0.00 0.00 34.13 30.34 2k5l s GLU 71 CO 0.09 -1.18 -0.15 0.14 -0.54 0.00 0.00 175.26 173.62 2k5l s VAL 72 N 4.10 2.29 -0.12 3.70 -7.23 -1.25 -0.92 120.40 120.98 2k5l s VAL 72 Ca 0.46 -2.31 0.01 0.00 -1.81 0.00 0.00 61.98 58.34 2k5l s VAL 72 Cb -0.09 -2.41 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 2k5l s VAL 72 CO 0.25 -0.34 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.83 2k5l s GLU 73 N -3.57 3.26 -0.47 4.82 2.56 0.13 -4.86 118.70 120.57 2k5l s GLU 73 Ca 0.30 -0.76 -0.28 0.00 0.00 0.00 0.00 54.97 54.23 2k5l s GLU 73 Cb -0.02 -2.51 0.03 0.00 2.00 0.00 0.00 34.13 33.64 2k5l s GLU 73 CO 0.15 0.20 1.10 -1.17 -0.56 0.00 0.00 175.26 174.98 2k5l s LEU 74 N 0.34 3.70 -0.41 2.70 1.98 -1.26 -0.69 118.68 125.04 2k5l s LEU 74 Ca -0.14 0.41 -0.28 0.00 -2.89 0.00 0.00 54.13 51.22 2k5l s LEU 74 Cb -0.17 -3.49 -0.00 0.00 0.66 0.00 0.00 46.19 43.19 2k5l s LEU 74 CO 0.07 -1.22 1.59 -0.70 -1.89 0.00 0.00 176.35 174.20 2k5l s GLU 75 N 4.33 3.38 0.67 1.98 2.56 -0.56 -4.96 118.70 126.10 2k5l s GLU 75 Ca 0.46 1.04 -0.12 0.00 0.00 0.00 0.00 54.97 56.35 2k5l s GLU 75 Cb -0.08 -4.13 -0.00 0.00 2.00 0.00 0.00 34.13 31.92 2k5l s GLU 75 CO 0.31 -1.81 1.06 -1.01 -0.56 0.00 0.00 175.26 173.25 2k5l s HIS 76 N 6.33 3.11 -0.52 5.30 3.76 -1.26 -4.66 115.29 127.35 2k5l s HIS 76 Ca 0.68 1.44 -0.15 0.00 -0.15 0.00 0.00 55.06 56.87 2k5l s HIS 76 Cb -0.16 -2.90 0.12 0.00 1.11 0.00 0.00 32.58 30.74 2k5l s HIS 76 CO 0.31 -1.18 0.46 -1.01 -0.85 0.00 0.00 174.74 172.47 2k5l s HIS 77 N -2.92 3.26 0.30 1.40 0.09 -1.26 -5.06 115.29 111.10 2k5l s HIS 77 Ca 0.59 -1.26 0.07 0.00 -0.00 0.00 0.00 55.06 54.46 2k5l s HIS 77 Cb -0.14 -3.62 -0.03 0.00 -0.00 0.00 0.00 32.58 28.79 2k5l s HIS 77 CO 0.51 -0.96 0.23 -3.38 -0.00 0.00 0.00 174.74 171.13 2k5l s HIS 78 N 1.59 2.96 0.01 1.40 -3.43 -1.26 -5.08 115.29 111.48 2k5l s HIS 78 Ca 0.03 -0.22 -0.30 0.00 -0.80 0.00 0.00 55.06 53.77 2k5l s HIS 78 Cb -0.28 -1.59 -0.05 0.00 -1.43 0.00 0.00 32.58 29.24 2k5l s HIS 78 CO 0.03 0.36 1.20 -1.01 -2.00 0.00 0.00 174.74 173.33 2k5l s HIS 79 N -2.24 3.31 0.82 0.38 3.76 -1.26 -5.03 115.29 115.04 2k5l s HIS 79 Ca 0.37 1.26 -0.11 0.00 -0.15 0.00 0.00 55.06 56.42 2k5l s HIS 79 Cb -0.06 -3.42 0.09 0.00 1.11 0.00 0.00 32.58 30.29 2k5l s HIS 79 CO 0.25 -1.31 1.09 -3.38 -0.85 0.00 0.00 174.74 170.55 2k5l s HIS 80 N 1.59 2.53 0.00 1.40 -3.43 -1.26 -5.30 115.29 110.82 2k5l s HIS 80 Ca 0.58 1.38 0.00 0.00 -0.80 0.00 0.00 55.06 56.21 2k5l s HIS 80 Cb -0.27 -3.09 0.00 0.00 -1.43 0.00 0.00 32.58 27.79 2k5l s HIS 80 CO 0.26 -2.01 0.43 0.72 -2.00 0.00 0.00 174.74 172.14