#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 1.91 0.65 1.12 2.19 -1.26 -5.08 117.98 117.52 2k5l s PHE 2 Ca 0.00 -1.85 -0.02 0.00 0.33 0.00 0.00 56.93 55.39 2k5l s PHE 2 Cb 0.00 -1.83 0.07 0.00 -1.31 0.00 0.00 43.02 39.96 2k5l s PHE 2 CO 0.00 -0.88 0.92 -1.54 1.83 0.00 0.00 175.22 175.55 2k5l s SER 3 N 1.55 4.81 0.56 6.13 1.04 -1.26 -1.51 113.70 125.01 2k5l s SER 3 Ca 0.10 0.02 0.31 0.00 0.48 0.00 0.00 55.95 56.85 2k5l s SER 3 Cb -0.17 -0.66 1.65 0.00 0.10 0.00 0.00 66.02 66.93 2k5l s SER 3 CO -0.23 -1.53 2.13 0.25 0.98 0.00 0.00 173.24 174.85 2k5l h LEU 4 N -0.34 0.00 -0.05 2.42 5.85 0.10 0.92 115.31 124.22 2k5l h LEU 4 Ca -0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 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 0.50 0.07 -0.15 -1.14 -0.34 0.00 0.00 178.44 177.38 2k5l n ARG 5 N -3.51 0.19 0.01 1.25 0.00 -0.93 -3.06 116.66 110.61 2k5l n ARG 5 Ca -0.02 -0.05 0.12 0.00 -0.00 0.00 0.00 57.85 57.90 2k5l n ARG 5 Cb 0.20 -1.50 0.20 0.00 0.00 0.00 0.00 32.46 31.36 2k5l n ARG 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2k5l n ASP 6 N -1.36 0.56 -4.66 6.15 9.92 0.31 -4.90 116.55 122.57 2k5l n ASP 6 Ca 0.09 -0.21 -0.29 0.00 -0.53 0.00 0.00 54.79 53.85 2k5l n ASP 6 Cb 0.32 0.32 0.13 0.00 -0.64 0.00 0.00 41.12 41.24 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 -3.05 2.35 0.18 2.24 0.00 -1.17 -4.95 121.76 117.35 2k5l s ALA 7 Ca 0.09 -0.77 0.09 0.00 0.00 0.00 0.00 51.96 51.36 2k5l s ALA 7 Cb 0.16 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2k5l s ALA 7 CO 0.72 -2.02 -0.18 0.15 0.00 0.00 0.00 175.76 174.43 2k5l s LYS 8 N -5.60 1.30 0.16 0.00 3.01 -1.26 -5.07 119.74 112.28 2k5l s LYS 8 Ca 0.65 -1.46 -0.31 0.00 -1.01 0.00 0.00 55.97 53.84 2k5l s LYS 8 Cb -0.10 -1.32 -0.10 0.00 -1.01 0.00 0.00 37.83 35.30 2k5l s LYS 8 CO 0.51 0.26 1.58 0.00 0.51 0.00 0.00 175.35 178.21 2k5l n GLY 10 N 3.79 0.96 3.50 0.00 0.00 0.40 -5.02 105.19 108.82 2k5l n GLY 10 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.86 1.99 -0.23 1.61 -0.21 -0.99 -4.98 119.66 116.00 2k5l s GLN 11 Ca 0.00 -1.06 -0.05 0.00 0.02 0.00 0.00 55.36 54.27 2k5l s GLN 11 Cb 0.00 -2.19 -0.02 0.00 1.00 0.00 0.00 33.01 31.80 2k5l s GLN 11 CO 0.00 0.51 0.01 0.99 -2.12 0.00 0.00 175.29 174.68 2k5l s THR 12 N -1.07 3.84 0.43 -0.19 2.01 -1.26 -0.84 115.64 118.56 2k5l s THR 12 Ca 0.17 -0.34 0.05 0.00 0.31 0.00 0.00 61.69 61.89 2k5l s THR 12 Cb -0.11 -2.77 -0.06 0.00 0.01 0.00 0.00 72.50 69.58 2k5l s THR 12 CO 0.09 0.39 0.01 0.68 -0.69 0.00 0.00 174.62 175.10 2k5l s VAL 13 N 1.43 1.68 0.07 3.82 -7.23 0.78 -1.66 120.40 119.28 2k5l s VAL 13 Ca 0.05 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.27 2k5l s VAL 13 Cb -0.15 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 2k5l s VAL 13 CO 0.00 0.00 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.13 2k5l s LYS 14 N -3.77 0.78 0.02 4.82 1.02 0.48 0.10 119.74 123.20 2k5l s LYS 14 Ca 0.27 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 55.01 2k5l s LYS 14 Cb 0.07 -0.70 -0.04 0.00 -0.52 0.00 0.00 37.83 36.64 2k5l s LYS 14 CO 0.14 0.15 0.96 0.08 -0.92 0.00 0.00 175.35 175.76 2k5l s VAL 15 N -1.44 4.79 0.00 3.17 1.01 -0.99 -0.21 120.40 126.72 2k5l s VAL 15 Ca -0.02 2.03 0.00 0.00 0.00 0.00 0.00 61.98 63.99 2k5l s VAL 15 Cb -0.09 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.98 2k5l s VAL 15 CO 0.02 0.20 0.00 1.33 0.00 0.00 0.00 175.10 176.65 2k5l n VAL 16 N 3.61 0.00 -3.86 2.92 0.24 -0.31 -0.24 118.33 120.70 2k5l n VAL 16 Ca 0.05 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.22 2k5l n VAL 16 Cb 0.51 -0.63 -0.14 0.00 -1.47 0.00 0.00 33.84 32.11 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 -2.00 0.01 -0.24 7.34 2.20 -1.09 -4.91 119.74 121.05 2k5l s LYS 17 Ca 0.00 0.04 -0.02 0.00 -0.36 0.00 0.00 55.97 55.62 2k5l s LYS 17 Cb 0.00 -0.01 0.02 0.00 -1.51 0.00 0.00 37.83 36.32 2k5l s LYS 17 CO 0.00 -0.02 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.41 2k5l s LEU 18 N 0.10 3.14 0.38 5.43 1.43 -1.26 -0.23 118.68 127.67 2k5l s LEU 18 Ca -0.01 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.24 2k5l s LEU 18 Cb -0.01 -1.69 -0.07 0.00 0.03 0.00 0.00 46.19 44.45 2k5l s LEU 18 CO -0.00 -0.11 0.75 -1.00 0.23 0.00 0.00 176.35 176.22 2k5l s HIS 19 N 1.37 3.46 0.00 0.29 3.76 -0.54 -4.96 115.29 118.67 2k5l s HIS 19 Ca 0.02 1.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.96 2k5l s HIS 19 Cb -0.16 -2.42 0.00 0.00 1.11 0.00 0.00 32.58 31.11 2k5l s HIS 19 CO -0.04 -0.06 0.00 0.41 -0.85 0.00 0.00 174.74 174.20 2k5l n GLY 20 N -1.14 3.62 1.37 -2.22 0.00 -1.26 -4.42 105.19 101.14 2k5l n GLY 20 Ca 0.02 -1.43 -0.05 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.75 1.72 0.00 2.61 -1.04 -1.26 -4.81 114.28 109.75 2k5l n THR 21 Ca 0.00 -0.54 0.00 0.00 -2.04 0.00 0.00 64.05 61.47 2k5l n THR 21 Cb 0.00 -1.12 0.00 0.00 -1.82 0.00 0.00 70.33 67.39 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 0.57 2.05 0.26 3.41 0.00 -1.26 -4.63 105.19 105.59 2k5l n GLY 22 Ca 0.10 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 0.85 -0.44 4.61 0.00 -1.99 0.62 119.26 122.91 2k5l h ALA 23 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2k5l h ALA 23 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2k5l h ALA 23 CO 0.00 0.21 0.26 1.25 0.00 0.00 0.00 179.25 180.96 2k5l h LEU 24 N 0.84 0.55 -0.28 0.00 7.12 -1.92 -0.71 115.31 120.91 2k5l h LEU 24 Ca 0.26 -0.07 0.02 0.00 0.13 0.00 0.00 57.88 58.21 2k5l h LEU 24 Cb -0.03 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 39.94 2k5l h LEU 24 CO -0.09 0.46 0.14 0.11 -0.13 0.00 0.00 178.44 178.93 2k5l h LYS 25 N 0.59 0.28 -0.49 1.25 1.57 -1.58 -1.27 116.57 116.92 2k5l h LYS 25 Ca 0.16 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 2k5l h LYS 25 Cb 0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2k5l h LYS 25 CO -0.03 0.19 0.14 -0.09 -0.57 0.00 0.00 179.45 179.09 2k5l h ARG 26 N 0.29 0.73 -0.61 3.15 1.12 -0.68 -1.70 114.38 116.68 2k5l h ARG 26 Ca 0.12 -0.13 -0.05 0.00 -1.11 0.00 0.00 59.98 58.81 2k5l h ARG 26 Cb 0.04 -0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 29.85 2k5l h ARG 26 CO -0.08 0.65 0.19 -0.09 -3.11 0.00 0.00 179.97 177.53 2k5l h ARG 27 N 0.71 0.95 -0.12 0.20 2.43 -0.55 0.54 114.38 118.54 2k5l h ARG 27 Ca 0.16 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2k5l h ARG 27 Cb 0.23 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2k5l h ARG 27 CO -0.01 0.85 0.07 0.82 -1.51 0.00 0.00 179.97 180.18 2k5l h ILE 28 N 0.88 1.01 -0.03 1.20 2.04 -0.61 -2.45 117.51 119.54 2k5l h ILE 28 Ca 0.20 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.94 2k5l h ILE 28 Cb 0.29 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2k5l h ILE 28 CO -0.01 0.03 -0.30 0.24 0.00 0.00 0.00 178.15 178.11 2k5l h MET 29 N 0.14 0.05 -0.46 2.37 2.86 -1.11 -2.51 114.93 116.26 2k5l h MET 29 Ca 0.05 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 2k5l h MET 29 Cb -0.00 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2k5l h MET 29 CO -0.02 0.35 0.13 0.22 1.06 0.00 0.00 176.91 178.65 2k5l h ASP 30 N 0.05 0.63 1.39 1.22 1.82 -0.43 -1.90 116.42 119.19 2k5l h ASP 30 Ca 0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 2k5l h ASP 30 Cb 0.55 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.40 2k5l h ASP 30 CO 0.04 0.61 0.00 0.24 -1.61 0.00 0.00 179.24 178.52 2k5l h MET 31 N 0.67 0.00 0.00 0.28 2.86 -1.14 -3.46 114.93 114.14 2k5l h MET 31 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 2k5l h MET 31 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2k5l h MET 31 CO -0.01 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.37 2k5l n GLY 32 N 0.46 1.35 3.52 8.32 0.00 -0.71 -5.07 105.19 113.06 2k5l n GLY 32 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.94 4.03 0.29 -0.61 1.09 -1.03 -4.90 121.20 118.13 2k5l s ILE 33 Ca 0.00 -0.29 0.11 0.00 -1.10 0.00 0.00 60.65 59.37 2k5l s ILE 33 Cb 0.00 -4.88 -0.05 0.00 -1.06 0.00 0.00 42.46 36.47 2k5l s ILE 33 CO 0.00 -1.74 -0.13 0.42 -0.10 0.00 0.00 174.94 173.39 2k5l s THR 34 N 4.80 2.64 0.38 2.92 -4.23 -1.26 -3.27 115.64 117.62 2k5l s THR 34 Ca 0.34 -2.25 -0.27 0.00 -1.18 0.00 0.00 61.69 58.33 2k5l s THR 34 Cb -0.08 -2.50 -0.10 0.00 1.34 0.00 0.00 72.50 71.17 2k5l s THR 34 CO 0.05 -0.35 1.35 0.00 -0.54 0.00 0.00 174.62 175.14 2k5l s ARG 35 N -3.57 4.10 0.00 3.99 1.70 -1.26 -2.38 118.95 121.52 2k5l s ARG 35 Ca 0.31 2.29 0.00 0.00 -0.47 0.00 0.00 55.73 57.86 2k5l s ARG 35 Cb -0.04 -2.89 0.00 0.00 -0.57 0.00 0.00 34.95 31.45 2k5l s ARG 35 CO 0.17 -0.43 0.00 0.41 -1.08 0.00 0.00 175.30 174.36 2k5l n GLY 36 N 0.66 0.94 3.84 3.88 0.00 0.67 -4.94 105.19 110.23 2k5l n GLY 36 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.76 4.47 -0.22 0.00 8.01 -1.26 -2.36 118.70 125.59 2k5l s GLU 38 Ca 0.35 1.03 0.02 0.00 0.01 0.00 0.00 54.97 56.38 2k5l s GLU 38 Cb -0.16 -3.43 0.04 0.00 -4.31 0.00 0.00 34.13 26.27 2k5l s GLU 38 CO 0.19 0.08 -0.15 0.42 0.01 0.00 0.00 175.26 175.81 2k5l s ILE 39 N 0.67 2.06 -0.24 -1.63 1.01 0.28 -4.19 121.20 119.15 2k5l s ILE 39 Ca 0.41 -1.25 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 2k5l s ILE 39 Cb -0.19 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 2k5l s ILE 39 CO 0.21 0.25 0.44 -0.47 0.00 0.00 0.00 174.94 175.37 2k5l s TYR 40 N 1.22 3.29 -0.63 3.97 5.04 -0.63 -0.16 117.35 129.46 2k5l s TYR 40 Ca -0.02 0.57 -0.27 0.00 -2.44 0.00 0.00 57.07 54.91 2k5l s TYR 40 Cb -0.16 -2.62 0.01 0.00 0.35 0.00 0.00 41.96 39.53 2k5l s TYR 40 CO -0.09 -0.19 1.51 0.42 -1.34 0.00 0.00 175.55 175.86 2k5l s ILE 41 N 1.94 3.63 -0.18 3.14 -1.09 -0.02 -0.55 121.20 128.08 2k5l s ILE 41 Ca 0.19 0.45 -0.16 0.00 -2.23 0.00 0.00 60.65 58.90 2k5l s ILE 41 Cb -0.15 -4.43 -0.12 0.00 -1.58 0.00 0.00 42.46 36.18 2k5l s ILE 41 CO 0.09 -1.29 0.05 -0.09 -1.23 0.00 0.00 174.94 172.47 2k5l h ARG 42 N 11.91 0.00 -4.09 2.79 2.43 -1.43 0.12 114.38 126.11 2k5l h ARG 42 Ca -0.27 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.62 2k5l h ARG 42 Cb 1.10 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 30.37 2k5l h ARG 42 CO 1.22 0.56 -0.74 0.15 -1.51 0.00 0.00 179.97 179.65 2k5l s LYS 43 N -2.29 0.26 -0.22 0.20 -0.14 -0.37 -4.61 119.74 112.57 2k5l s LYS 43 Ca -0.22 -0.14 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 2k5l s LYS 43 Cb 0.04 -0.24 0.03 0.00 -1.68 0.00 0.00 37.83 35.98 2k5l s LYS 43 CO 0.42 0.06 -0.13 0.08 -0.76 0.00 0.00 175.35 175.03 2k5l s VAL 44 N -0.14 2.38 0.43 3.17 1.01 -1.26 -0.13 120.40 125.86 2k5l s VAL 44 Ca 0.01 -1.11 -0.25 0.00 0.00 0.00 0.00 61.98 60.62 2k5l s VAL 44 Cb -0.02 -2.16 -0.08 0.00 0.00 0.00 0.00 36.38 34.12 2k5l s VAL 44 CO -0.00 0.30 1.32 0.00 0.00 0.00 0.00 175.10 176.72 2k5l s ALA 45 N 1.26 3.21 -1.18 5.51 0.00 -1.17 -4.87 121.76 124.53 2k5l s ALA 45 Ca 0.00 1.27 -0.22 0.00 0.00 0.00 0.00 51.96 53.01 2k5l s ALA 45 Cb -0.16 -3.51 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 2k5l s ALA 45 CO -0.08 -0.93 1.92 -2.30 0.00 0.00 0.00 175.76 174.37 2k5l n PRO 46 N -0.05 1.73 0.00 0.00 -0.02 -1.26 -2.31 135.00 133.09 2k5l n PRO 46 Ca 0.05 -2.51 0.00 0.00 -2.02 0.00 0.00 63.50 59.02 2k5l n PRO 46 Cb 0.44 -3.67 0.00 0.00 -0.02 0.00 0.00 33.50 30.24 2k5l n PRO 46 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2k5l n LEU 47 N 13.57 0.00 0.00 2.45 0.00 -1.26 -5.00 117.00 126.75 2k5l n LEU 47 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.46 2k5l n LEU 47 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.88 2k5l n LEU 47 CO 0.70 -0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.70 2k5l n GLY 48 N -0.59 1.27 3.23 -3.96 0.00 -0.98 -5.10 105.19 99.07 2k5l n GLY 48 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.29 -0.01 0.69 1.61 -4.77 -1.26 -4.52 116.67 108.12 2k5l s ASP 49 Ca 0.00 -0.42 -0.06 0.00 -3.30 0.00 0.00 52.55 48.77 2k5l s ASP 49 Cb 0.00 0.35 0.06 0.00 -1.09 0.00 0.00 42.92 42.24 2k5l s ASP 49 CO 0.00 -0.68 0.99 -2.16 0.70 0.00 0.00 175.17 174.03 2k5l s PRO 50 N -3.21 2.19 -0.32 2.11 0.04 -1.26 -4.71 135.00 129.84 2k5l s PRO 50 Ca -0.00 -0.33 -0.15 0.00 0.04 0.00 0.00 61.00 60.55 2k5l s PRO 50 Cb 0.02 -2.20 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 2k5l s PRO 50 CO -0.07 -1.21 0.39 0.42 0.04 0.00 0.00 177.00 176.56 2k5l s ILE 51 N -3.20 5.15 -0.39 0.56 -1.09 0.24 -3.03 121.20 119.42 2k5l s ILE 51 Ca 0.60 0.24 -0.22 0.00 -2.23 0.00 0.00 60.65 59.04 2k5l s ILE 51 Cb -0.10 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 36.98 2k5l s ILE 51 CO 0.44 -0.04 0.72 -1.58 -1.23 0.00 0.00 174.94 173.25 2k5l s GLN 52 N 2.09 3.58 0.28 2.79 0.74 0.81 -0.77 119.66 129.18 2k5l s GLN 52 Ca 0.14 0.03 0.11 0.00 0.05 0.00 0.00 55.36 55.68 2k5l s GLN 52 Cb -0.16 -3.86 -0.05 0.00 1.10 0.00 0.00 33.01 30.04 2k5l s GLN 52 CO 0.11 -0.90 -0.16 0.96 -0.55 0.00 0.00 175.29 174.75 2k5l s ILE 53 N 2.98 2.27 -0.32 -2.34 -4.36 0.56 -1.09 121.20 118.91 2k5l s ILE 53 Ca 0.28 -2.32 -0.05 0.00 -0.26 0.00 0.00 60.65 58.29 2k5l s ILE 53 Cb -0.13 -2.34 0.04 0.00 1.25 0.00 0.00 42.46 41.28 2k5l s ILE 53 CO 0.18 -0.39 0.06 0.20 0.24 0.00 0.00 174.94 175.23 2k5l s ASN 54 N -3.50 5.09 -0.04 4.36 0.02 0.29 -0.20 114.94 120.96 2k5l s ASN 54 Ca 0.29 -1.11 0.04 0.00 -1.02 0.00 0.00 52.86 51.07 2k5l s ASN 54 Cb -0.02 -1.81 -0.00 0.00 0.02 0.00 0.00 41.25 39.43 2k5l s ASN 54 CO 0.14 -0.28 -0.17 -0.69 0.02 0.00 0.00 177.10 176.12 2k5l s VAL 55 N 1.36 1.45 0.00 1.60 1.01 -1.04 -1.61 120.40 123.18 2k5l s VAL 55 Ca -0.02 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2k5l s VAL 55 Cb -0.19 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2k5l s VAL 55 CO 0.01 0.42 0.00 0.54 0.00 0.00 0.00 175.10 176.07 2k5l n ARG 56 N 3.09 0.00 -0.22 2.72 5.12 -1.26 -1.33 116.66 124.78 2k5l n ARG 56 Ca -0.18 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.74 2k5l n ARG 56 Cb 0.53 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.83 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 0.18 3.44 -0.13 0.00 -1.26 -5.11 105.19 102.31 2k5l n GLY 57 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 2.32 -0.45 1.61 1.51 -0.44 -5.09 117.35 116.81 2k5l s TYR 58 Ca 0.00 -0.35 -0.24 0.00 -1.01 0.00 0.00 57.07 55.47 2k5l s TYR 58 Cb 0.00 -1.13 0.02 0.00 -0.11 0.00 0.00 41.96 40.75 2k5l s TYR 58 CO 0.00 0.53 0.87 -1.21 -1.11 0.00 0.00 175.55 174.62 2k5l s GLU 59 N -2.79 3.52 0.11 -0.62 2.02 -1.26 -2.51 118.70 117.17 2k5l s GLU 59 Ca 0.22 0.10 0.08 0.00 0.02 0.00 0.00 54.97 55.38 2k5l s GLU 59 Cb -0.08 -3.92 -0.04 0.00 0.10 0.00 0.00 34.13 30.20 2k5l s GLU 59 CO 0.11 -1.15 -0.11 -0.51 0.02 0.00 0.00 175.26 173.62 2k5l s LEU 60 N 3.53 2.98 -0.30 1.80 1.43 0.71 -4.94 118.68 123.89 2k5l s LEU 60 Ca 0.34 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 2k5l s LEU 60 Cb -0.11 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.38 2k5l s LEU 60 CO 0.24 0.17 0.01 -0.94 0.23 0.00 0.00 176.35 176.06 2k5l s SER 61 N -2.23 4.88 -0.14 2.29 1.04 -1.26 -0.32 113.70 117.96 2k5l s SER 61 Ca 0.21 -1.19 -0.04 0.00 0.48 0.00 0.00 55.95 55.41 2k5l s SER 61 Cb -0.11 -1.73 -0.03 0.00 0.10 0.00 0.00 66.02 64.25 2k5l s SER 61 CO 0.13 -0.25 -0.00 -0.76 0.98 0.00 0.00 173.24 173.34 2k5l s LEU 62 N 1.29 3.49 0.51 2.42 2.01 0.05 -4.90 118.68 123.56 2k5l s LEU 62 Ca -0.04 0.01 -0.19 0.00 0.01 0.00 0.00 54.13 53.92 2k5l s LEU 62 Cb -0.19 -1.83 -0.07 0.00 0.01 0.00 0.00 46.19 44.10 2k5l s LEU 62 CO -0.01 0.25 1.06 -0.13 1.01 0.00 0.00 176.35 178.53 2k5l s ARG 63 N -0.08 3.63 0.46 1.70 3.00 -1.26 0.79 118.95 127.18 2k5l s ARG 63 Ca 0.04 1.40 0.12 0.00 0.00 0.00 0.00 55.73 57.29 2k5l s ARG 63 Cb -0.13 -2.06 1.04 0.00 0.00 0.00 0.00 34.95 33.80 2k5l s ARG 63 CO 0.02 -0.58 2.08 1.57 0.00 0.00 0.00 175.30 178.38 2k5l h LYS 64 N 1.33 0.23 -0.63 3.54 5.09 -1.94 0.13 116.57 124.32 2k5l h LYS 64 Ca -0.49 -0.02 -0.01 0.00 0.09 0.00 0.00 60.65 60.21 2k5l h LYS 64 Cb 1.23 -0.05 -0.03 0.00 0.10 0.00 0.00 32.23 33.48 2k5l h LYS 64 CO 0.58 0.19 0.34 0.77 -2.09 0.00 0.00 179.45 179.24 2k5l h SER 65 N 0.23 0.79 0.01 7.07 0.02 -1.94 -0.25 113.55 119.48 2k5l h SER 65 Ca 0.06 -0.10 -0.27 0.00 -0.84 0.00 0.00 61.79 60.64 2k5l h SER 65 Cb 0.05 -0.20 0.02 0.00 0.14 0.00 0.00 62.40 62.41 2k5l h SER 65 CO -0.01 0.66 -1.05 0.00 -1.14 0.00 0.00 176.83 175.29 2k5l h ALA 66 N 1.16 0.12 -0.61 3.77 0.00 -1.70 -3.30 119.26 118.70 2k5l h ALA 66 Ca 0.22 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2k5l h ALA 66 Cb 0.05 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2k5l h ALA 66 CO -0.03 0.69 0.39 0.00 0.00 0.00 0.00 179.25 180.29 2k5l h ALA 67 N 0.40 1.53 0.00 0.00 0.00 -0.48 -1.23 119.26 119.48 2k5l h ALA 67 Ca -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k5l h ALA 67 Cb 1.71 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2k5l h ALA 67 CO 0.21 0.42 0.00 -0.85 0.00 0.00 0.00 179.25 179.03 2k5l n GLU 68 N -4.43 0.99 0.00 0.00 0.28 -0.13 -0.98 120.64 116.38 2k5l n GLU 68 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 2k5l n GLU 68 Cb 0.06 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 31.64 2k5l n GLU 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k5l n MET 69 N -0.79 1.78 -3.48 3.44 0.00 -0.50 -4.82 117.12 112.75 2k5l n MET 69 Ca 0.14 -1.11 -0.40 0.00 0.00 0.00 0.00 57.70 56.33 2k5l n MET 69 Cb 0.06 -0.87 -0.10 0.00 0.00 0.00 0.00 33.22 32.31 2k5l n MET 69 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2k5l s ILE 70 N -0.63 5.23 -0.21 3.17 1.01 -0.99 -1.47 121.20 127.31 2k5l s ILE 70 Ca 0.00 0.13 -0.27 0.00 0.00 0.00 0.00 60.65 60.51 2k5l s ILE 70 Cb 0.00 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.77 2k5l s ILE 70 CO 0.00 0.07 0.91 -0.70 0.00 0.00 0.00 174.94 175.22 2k5l s GLU 71 N 1.89 4.26 0.30 2.79 2.56 0.68 -0.48 118.70 130.70 2k5l s GLU 71 Ca 0.10 1.13 0.06 0.00 0.00 0.00 0.00 54.97 56.26 2k5l s GLU 71 Cb -0.16 -3.62 -0.06 0.00 2.00 0.00 0.00 34.13 32.29 2k5l s GLU 71 CO 0.11 -0.49 -0.03 0.14 -0.56 0.00 0.00 175.26 174.43 2k5l s VAL 72 N 2.71 1.59 0.08 3.70 -7.23 -0.57 -1.16 120.40 119.52 2k5l s VAL 72 Ca 0.40 -2.09 0.06 0.00 -1.81 0.00 0.00 61.98 58.54 2k5l s VAL 72 Cb -0.16 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 2k5l s VAL 72 CO 0.09 -0.20 -0.16 -0.70 -0.31 0.00 0.00 175.10 173.81 2k5l s GLU 73 N -3.76 0.93 0.63 4.82 2.56 0.70 -4.78 118.70 119.80 2k5l s GLU 73 Ca 0.32 -0.99 -0.09 0.00 0.00 0.00 0.00 54.97 54.20 2k5l s GLU 73 Cb 0.05 -1.02 -0.01 0.00 2.00 0.00 0.00 34.13 35.16 2k5l s GLU 73 CO 0.13 0.23 0.99 -0.51 -0.56 0.00 0.00 175.26 175.55 2k5l s LEU 74 N -1.71 3.16 1.12 2.70 2.01 -1.26 -0.38 118.68 124.32 2k5l s LEU 74 Ca 0.01 1.09 -0.15 0.00 0.01 0.00 0.00 54.13 55.09 2k5l s LEU 74 Cb -0.10 -3.98 0.25 0.00 0.01 0.00 0.00 46.19 42.37 2k5l s LEU 74 CO 0.03 -1.05 1.08 -1.83 1.01 0.00 0.00 176.35 175.59 2k5l s GLU 75 N -5.15 -0.56 -0.36 1.70 -1.05 -0.66 -4.80 118.70 107.82 2k5l s GLU 75 Ca 0.55 0.33 0.01 0.00 -0.15 0.00 0.00 54.97 55.71 2k5l s GLU 75 Cb -0.11 -1.64 0.15 0.00 -0.44 0.00 0.00 34.13 32.09 2k5l s GLU 75 CO 0.50 -3.35 0.24 -1.01 0.95 0.00 0.00 175.26 172.59 2k5l s HIS 76 N -2.86 0.74 0.40 4.83 3.76 -1.26 -5.10 115.29 115.80 2k5l s HIS 76 Ca 0.68 -1.73 -0.19 0.00 -0.15 0.00 0.00 55.06 53.67 2k5l s HIS 76 Cb -0.16 -0.88 -0.10 0.00 1.11 0.00 0.00 32.58 32.54 2k5l s HIS 76 CO 0.58 -0.84 0.89 -1.01 -0.85 0.00 0.00 174.74 173.52 2k5l s HIS 77 N 0.88 3.33 -0.15 1.40 3.76 -1.26 -5.05 115.29 118.20 2k5l s HIS 77 Ca 0.21 1.49 -0.08 0.00 -0.15 0.00 0.00 55.06 56.53 2k5l s HIS 77 Cb -0.17 -2.76 -0.04 0.00 1.11 0.00 0.00 32.58 30.72 2k5l s HIS 77 CO -0.03 -0.07 0.13 -1.01 -0.85 0.00 0.00 174.74 172.91 2k5l s HIS 78 N -2.15 3.50 0.68 1.40 3.76 -1.26 -5.07 115.29 116.15 2k5l s HIS 78 Ca 0.60 0.42 -0.15 0.00 -0.15 0.00 0.00 55.06 55.78 2k5l s HIS 78 Cb -0.09 -2.02 0.01 0.00 1.11 0.00 0.00 32.58 31.59 2k5l s HIS 78 CO 0.15 0.54 1.15 -3.38 -0.85 0.00 0.00 174.74 172.35 2k5l s HIS 79 N -0.48 2.39 -0.34 1.40 -3.43 -1.26 -4.95 115.29 108.63 2k5l s HIS 79 Ca 0.12 1.57 0.22 0.00 -0.80 0.00 0.00 55.06 56.17 2k5l s HIS 79 Cb -0.12 -3.29 0.19 0.00 -1.43 0.00 0.00 32.58 27.93 2k5l s HIS 79 CO 0.02 -2.05 1.39 0.45 -2.00 0.00 0.00 174.74 172.54 2k5l h HIS 80 N -0.07 0.00 0.00 0.38 3.86 -2.08 -3.57 115.15 113.67 2k5l h HIS 80 Ca -0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 2k5l h HIS 80 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 2k5l h HIS 80 CO 0.51 0.07 0.00 1.58 0.86 0.00 0.00 177.93 180.95