#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 1.81 0.65 1.12 5.36 -1.26 -5.10 117.98 120.56 2k5l s PHE 2 Ca 0.00 -1.53 -0.07 0.00 -0.96 0.00 0.00 56.93 54.36 2k5l s PHE 2 Cb 0.00 -1.52 0.03 0.00 -0.34 0.00 0.00 43.02 41.18 2k5l s PHE 2 CO 0.00 -0.77 0.98 -1.54 -1.46 0.00 0.00 175.22 172.43 2k5l s SER 3 N 1.59 5.33 0.35 6.13 1.04 -1.26 -1.02 113.70 125.86 2k5l s SER 3 Ca 0.02 0.73 0.27 0.00 0.48 0.00 0.00 55.95 57.45 2k5l s SER 3 Cb -0.18 -1.58 1.13 0.00 0.10 0.00 0.00 66.02 65.49 2k5l s SER 3 CO -0.13 -1.28 1.80 0.25 0.98 0.00 0.00 173.24 174.86 2k5l h LEU 4 N -0.40 0.00 -0.27 2.42 5.85 -0.11 -0.91 115.31 121.88 2k5l h LEU 4 Ca -0.45 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.07 2k5l h LEU 4 Cb 1.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2k5l h LEU 4 CO 0.61 0.00 -0.64 -0.09 -0.34 0.00 0.00 178.44 177.98 2k5l h ARG 5 N 0.00 0.80 0.00 1.25 1.12 -1.76 -3.12 114.38 112.67 2k5l h ARG 5 Ca 0.00 -0.56 -0.02 0.00 -1.11 0.00 0.00 59.98 58.29 2k5l h ARG 5 Cb 0.38 0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 30.43 2k5l h ARG 5 CO 0.00 1.19 -0.09 -0.44 -3.11 0.00 0.00 179.97 177.51 2k5l h ASP 6 N 0.59 0.00 -4.21 -3.80 3.32 -1.48 -3.44 116.42 107.40 2k5l h ASP 6 Ca -0.01 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.52 2k5l h ASP 6 Cb 1.25 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.93 2k5l h ASP 6 CO 0.13 0.09 0.36 0.00 -1.72 0.00 0.00 179.24 178.11 2k5l s ALA 7 N -3.81 2.22 0.27 3.45 0.00 -1.03 -4.98 121.76 117.89 2k5l s ALA 7 Ca -0.00 0.64 0.09 0.00 0.00 0.00 0.00 51.96 52.68 2k5l s ALA 7 Cb 0.10 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2k5l s ALA 7 CO 0.57 -1.69 0.05 0.15 0.00 0.00 0.00 175.76 174.84 2k5l s LYS 8 N -4.17 2.44 0.30 0.00 -0.14 -1.26 -5.03 119.74 111.88 2k5l s LYS 8 Ca 0.69 -1.35 -0.29 0.00 -1.36 0.00 0.00 55.97 53.67 2k5l s LYS 8 Cb -0.23 -2.25 -0.09 0.00 -1.68 0.00 0.00 37.83 33.57 2k5l s LYS 8 CO 0.46 0.35 1.11 0.00 -0.76 0.00 0.00 175.35 176.51 2k5l n GLY 10 N 1.06 0.73 3.81 0.00 0.00 0.99 -5.00 105.19 106.78 2k5l n GLY 10 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.99 -0.14 1.61 -1.52 -1.12 -4.99 119.66 115.91 2k5l s GLN 11 Ca 0.00 -0.72 -0.02 0.00 -1.95 0.00 0.00 55.36 52.67 2k5l s GLN 11 Cb 0.00 -2.75 -0.02 0.00 -0.22 0.00 0.00 33.01 30.02 2k5l s GLN 11 CO 0.00 0.54 -0.08 0.99 -0.25 0.00 0.00 175.29 176.49 2k5l s THR 12 N -1.55 3.49 0.35 -0.19 2.01 -1.26 -2.16 115.64 116.33 2k5l s THR 12 Ca 0.31 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.84 2k5l s THR 12 Cb -0.11 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 2k5l s THR 12 CO 0.24 0.51 0.08 0.68 -0.69 0.00 0.00 174.62 175.43 2k5l s VAL 13 N 0.37 0.96 -0.05 3.82 -7.23 -0.09 -1.95 120.40 116.23 2k5l s VAL 13 Ca -0.07 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.12 2k5l s VAL 13 Cb -0.15 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.17 2k5l s VAL 13 CO 0.04 0.00 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.19 2k5l s LYS 14 N -3.85 1.38 -0.27 4.82 1.02 -0.69 0.17 119.74 122.31 2k5l s LYS 14 Ca 0.32 -0.35 -0.29 0.00 0.02 0.00 0.00 55.97 55.67 2k5l s LYS 14 Cb 0.07 -1.20 -0.01 0.00 -0.52 0.00 0.00 37.83 36.17 2k5l s LYS 14 CO 0.15 0.05 1.36 0.08 -0.92 0.00 0.00 175.35 176.06 2k5l s VAL 15 N 0.55 4.07 -0.15 3.17 1.01 -0.32 -0.54 120.40 128.18 2k5l s VAL 15 Ca -0.11 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.11 2k5l s VAL 15 Cb -0.14 -4.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.08 2k5l s VAL 15 CO 0.02 -0.41 -0.12 1.33 0.00 0.00 0.00 175.10 175.92 2k5l n VAL 16 N 6.17 0.90 -4.18 2.92 0.24 -0.20 -0.23 118.33 123.94 2k5l n VAL 16 Ca 0.15 -0.37 -0.14 0.00 -2.04 0.00 0.00 64.34 61.95 2k5l n VAL 16 Cb 0.46 -1.02 -0.11 0.00 -1.47 0.00 0.00 33.84 31.71 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 -2.31 0.87 -0.16 7.34 1.02 -0.75 -4.86 119.74 120.89 2k5l s LYS 17 Ca -0.20 -1.22 -0.00 0.00 0.02 0.00 0.00 55.97 54.57 2k5l s LYS 17 Cb 0.05 -0.49 0.04 0.00 -0.52 0.00 0.00 37.83 36.91 2k5l s LYS 17 CO 0.38 0.06 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.30 2k5l s LEU 18 N -2.63 1.64 0.39 3.17 1.43 -1.26 -1.01 118.68 120.40 2k5l s LEU 18 Ca 0.08 -0.62 -0.10 0.00 -1.03 0.00 0.00 54.13 52.45 2k5l s LEU 18 Cb -0.01 -0.96 -0.06 0.00 0.03 0.00 0.00 46.19 45.18 2k5l s LEU 18 CO -0.01 -0.16 0.74 -1.00 0.23 0.00 0.00 176.35 176.16 2k5l s HIS 19 N 1.60 3.47 0.00 0.29 3.76 0.15 -4.98 115.29 119.57 2k5l s HIS 19 Ca 0.01 1.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.93 2k5l s HIS 19 Cb -0.15 -2.41 0.00 0.00 1.11 0.00 0.00 32.58 31.13 2k5l s HIS 19 CO -0.08 -0.07 0.00 0.41 -0.85 0.00 0.00 174.74 174.15 2k5l n GLY 20 N -1.21 1.74 0.05 -2.22 0.00 -1.26 -4.68 105.19 97.61 2k5l n GLY 20 Ca 0.02 -2.08 -0.01 0.00 0.00 0.00 0.00 46.02 43.95 2k5l n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k5l h THR 21 N 1.46 0.00 0.00 2.61 1.35 -1.98 -3.48 112.91 112.87 2k5l h THR 21 Ca 0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 2k5l h THR 21 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2k5l h THR 21 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2k5l n GLY 22 N 1.71 -1.22 0.15 5.82 0.00 -1.26 -4.95 105.19 105.44 2k5l n GLY 22 Ca -0.00 0.37 -0.09 0.00 0.00 0.00 0.00 46.02 46.30 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 0.41 -0.91 4.61 0.00 -1.99 -0.55 119.26 120.83 2k5l h ALA 23 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2k5l h ALA 23 Cb 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 2k5l h ALA 23 CO 0.00 -0.13 0.56 1.25 0.00 0.00 0.00 179.25 180.93 2k5l h LEU 24 N 0.43 0.87 -0.05 0.00 7.12 -1.96 0.16 115.31 121.89 2k5l h LEU 24 Ca 0.12 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.15 2k5l h LEU 24 Cb -0.05 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 39.92 2k5l h LEU 24 CO -0.03 0.53 -0.00 0.11 -0.13 0.00 0.00 178.44 178.92 2k5l h LYS 25 N 0.99 0.08 -0.20 1.25 1.57 -1.65 -2.49 116.57 116.13 2k5l h LYS 25 Ca 0.41 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.13 2k5l h LYS 25 Cb 0.25 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2k5l h LYS 25 CO -0.20 0.37 -0.03 -0.09 -0.57 0.00 0.00 179.45 178.92 2k5l h ARG 26 N -0.22 0.29 -0.81 3.15 1.12 -0.86 -0.35 114.38 116.70 2k5l h ARG 26 Ca 0.01 -0.05 0.04 0.00 -1.11 0.00 0.00 59.98 58.87 2k5l h ARG 26 Cb 0.33 -0.05 -0.05 0.00 -0.01 0.00 0.00 29.97 30.19 2k5l h ARG 26 CO 0.00 0.35 0.51 -0.09 -3.11 0.00 0.00 179.97 177.64 2k5l h ARG 27 N 0.29 0.96 -0.28 0.20 2.43 -0.70 0.43 114.38 117.71 2k5l h ARG 27 Ca 0.07 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 2k5l h ARG 27 Cb 0.25 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2k5l h ARG 27 CO 0.01 0.63 -0.42 0.82 -1.51 0.00 0.00 179.97 179.51 2k5l h ILE 28 N 0.99 1.30 -0.12 1.20 2.04 -0.87 -3.15 117.51 118.90 2k5l h ILE 28 Ca 0.33 -1.61 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 2k5l h ILE 28 Cb 0.04 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2k5l h ILE 28 CO -0.13 0.52 -0.10 0.24 0.00 0.00 0.00 178.15 178.68 2k5l h MET 29 N 0.52 0.18 -0.38 2.37 2.86 -0.38 -2.13 114.93 117.97 2k5l h MET 29 Ca 0.03 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 2k5l h MET 29 Cb 1.01 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 2k5l h MET 29 CO 0.10 0.30 0.26 0.22 1.06 0.00 0.00 176.91 178.84 2k5l h ASP 30 N 0.18 0.28 -0.00 1.22 1.82 -0.12 -0.04 116.42 119.76 2k5l h ASP 30 Ca 0.04 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2k5l h ASP 30 Cb 0.29 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.24 2k5l h ASP 30 CO 0.02 0.19 -0.00 0.23 -1.61 0.00 0.00 179.24 178.07 2k5l n MET 31 N -4.48 1.29 0.00 0.28 2.81 -0.82 -4.86 117.12 111.35 2k5l n MET 31 Ca 0.04 -0.43 0.00 0.00 -1.81 0.00 0.00 57.70 55.50 2k5l n MET 31 Cb 0.22 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 2k5l n MET 31 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k5l n GLY 32 N 1.08 0.43 3.51 3.03 0.00 -0.03 -4.94 105.19 108.27 2k5l n GLY 32 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 4.54 0.35 -0.61 1.01 -1.10 -4.93 121.20 118.46 2k5l s ILE 33 Ca 0.00 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.81 2k5l s ILE 33 Cb 0.00 -4.44 0.00 0.00 0.01 0.00 0.00 42.46 38.03 2k5l s ILE 33 CO 0.00 -0.95 0.46 0.28 0.00 0.00 0.00 174.94 174.73 2k5l s THR 34 N 3.54 0.00 0.20 2.92 -1.32 -1.26 -2.85 115.64 116.86 2k5l s THR 34 Ca 0.27 -1.63 -0.32 0.00 -1.21 0.00 0.00 61.69 58.81 2k5l s THR 34 Cb -0.14 -2.64 -0.11 0.00 -1.51 0.00 0.00 72.50 68.10 2k5l s THR 34 CO 0.19 0.00 1.68 -0.13 -2.21 0.00 0.00 174.62 174.15 2k5l s ARG 35 N -3.04 4.15 0.00 7.08 3.00 -1.26 -1.62 118.95 127.26 2k5l s ARG 35 Ca 0.31 2.55 0.00 0.00 0.00 0.00 0.00 55.73 58.59 2k5l s ARG 35 Cb -0.00 -3.09 0.00 0.00 0.00 0.00 0.00 34.95 31.86 2k5l s ARG 35 CO 0.21 -0.71 0.00 0.41 0.00 0.00 0.00 175.30 175.21 2k5l n GLY 36 N 3.87 0.72 3.77 -3.53 0.00 0.68 -5.00 105.19 105.70 2k5l n GLY 36 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.18 4.23 -0.25 0.00 2.02 -1.26 -1.17 118.70 121.09 2k5l s GLU 38 Ca 0.37 0.36 -0.04 0.00 0.02 0.00 0.00 54.97 55.68 2k5l s GLU 38 Cb -0.24 -3.51 0.01 0.00 0.10 0.00 0.00 34.13 30.49 2k5l s GLU 38 CO 0.28 -0.02 -0.02 0.42 0.02 0.00 0.00 175.26 175.94 2k5l s ILE 39 N 1.21 3.37 -0.49 -1.63 -1.09 0.13 -4.72 121.20 117.97 2k5l s ILE 39 Ca 0.23 -0.69 -0.18 0.00 -2.23 0.00 0.00 60.65 57.78 2k5l s ILE 39 Cb -0.15 -2.63 0.06 0.00 -1.58 0.00 0.00 42.46 38.15 2k5l s ILE 39 CO 0.09 0.28 0.58 -0.47 -1.23 0.00 0.00 174.94 174.19 2k5l s TYR 40 N 1.44 3.09 -0.48 3.97 5.04 -1.14 -0.91 117.35 128.35 2k5l s TYR 40 Ca 0.03 -0.58 -0.28 0.00 -2.44 0.00 0.00 57.07 53.80 2k5l s TYR 40 Cb -0.16 -3.44 0.01 0.00 0.35 0.00 0.00 41.96 38.73 2k5l s TYR 40 CO -0.02 -0.97 1.40 0.42 -1.34 0.00 0.00 175.55 175.04 2k5l s ILE 41 N 2.45 3.87 -0.07 3.14 1.09 -0.92 -0.23 121.20 130.52 2k5l s ILE 41 Ca 0.13 0.82 -0.11 0.00 -1.10 0.00 0.00 60.65 60.39 2k5l s ILE 41 Cb -0.20 -4.33 -0.29 0.00 -1.06 0.00 0.00 42.46 36.58 2k5l s ILE 41 CO 0.11 -0.96 0.59 -0.09 -0.10 0.00 0.00 174.94 174.50 2k5l h ARG 42 N 10.82 0.34 -2.27 2.79 1.12 -1.27 0.28 114.38 126.20 2k5l h ARG 42 Ca -0.27 -0.58 -0.06 0.00 -1.11 0.00 0.00 59.98 57.96 2k5l h ARG 42 Cb 1.10 0.22 -0.22 0.00 -0.01 0.00 0.00 29.97 31.05 2k5l h ARG 42 CO 1.13 1.28 -0.02 0.21 -3.11 0.00 0.00 179.97 179.46 2k5l s LYS 43 N -2.55 0.68 -0.13 0.20 2.36 -0.71 -4.37 119.74 115.22 2k5l s LYS 43 Ca -0.18 0.89 -0.00 0.00 -2.55 0.00 0.00 55.97 54.13 2k5l s LYS 43 Cb 0.05 0.29 -0.02 0.00 -1.05 0.00 0.00 37.83 37.11 2k5l s LYS 43 CO 0.82 -0.10 -0.13 0.08 1.55 0.00 0.00 175.35 177.57 2k5l s VAL 44 N 0.59 3.05 0.42 4.02 1.01 -1.26 0.44 120.40 128.65 2k5l s VAL 44 Ca -0.02 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.04 2k5l s VAL 44 Cb -0.05 -2.28 -0.08 0.00 0.00 0.00 0.00 36.38 33.97 2k5l s VAL 44 CO -0.03 0.53 1.28 0.00 0.00 0.00 0.00 175.10 176.88 2k5l s ALA 45 N 0.32 3.20 0.53 5.51 0.00 -0.84 -4.90 121.76 125.57 2k5l s ALA 45 Ca -0.10 1.19 0.20 0.00 0.00 0.00 0.00 51.96 53.24 2k5l s ALA 45 Cb -0.16 -3.47 1.35 0.00 0.00 0.00 0.00 23.12 20.84 2k5l s ALA 45 CO 0.06 -0.81 2.11 -1.35 0.00 0.00 0.00 175.76 175.76 2k5l h PRO 46 N 2.57 0.00 -0.00 0.00 0.11 -1.90 0.08 132.00 132.85 2k5l h PRO 46 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2k5l h PRO 46 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2k5l h PRO 46 CO 0.62 0.00 -0.14 -0.11 -0.21 0.00 0.00 178.00 178.16 2k5l n LEU 47 N -4.43 0.60 0.00 2.35 7.94 -1.26 -4.91 117.00 117.29 2k5l n LEU 47 Ca 0.01 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 2k5l n LEU 47 Cb 0.26 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.04 2k5l n LEU 47 CO 0.34 0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.34 2k5l n GLY 48 N 1.29 3.26 2.93 -3.96 0.00 0.01 -5.01 105.19 103.71 2k5l n GLY 48 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.07 0.86 0.40 1.61 2.15 -1.26 -4.45 116.67 115.91 2k5l s ASP 49 Ca 0.00 -0.12 0.01 0.00 0.43 0.00 0.00 52.55 52.86 2k5l s ASP 49 Cb 0.00 -0.31 0.04 0.00 -0.30 0.00 0.00 42.92 42.35 2k5l s ASP 49 CO 0.00 -0.00 0.27 -0.81 -0.17 0.00 0.00 175.17 174.46 2k5l n PRO 50 N 3.60 0.53 -4.80 4.34 -0.04 -1.26 -4.79 135.00 132.59 2k5l n PRO 50 Ca -0.21 -0.81 -0.33 0.00 -0.04 0.00 0.00 63.50 62.11 2k5l n PRO 50 Cb 0.53 -0.16 -0.15 0.00 -0.04 0.00 0.00 33.50 33.68 2k5l n PRO 50 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2k5l s ILE 51 N -0.54 2.71 -0.43 0.52 1.09 -0.23 -1.99 121.20 122.34 2k5l s ILE 51 Ca 0.19 -0.77 -0.19 0.00 -1.10 0.00 0.00 60.65 58.77 2k5l s ILE 51 Cb -0.01 -2.12 0.02 0.00 -1.06 0.00 0.00 42.46 39.29 2k5l s ILE 51 CO 0.12 0.53 0.53 -1.10 -0.10 0.00 0.00 174.94 174.92 2k5l s GLN 52 N 0.49 3.20 0.05 2.79 1.11 0.17 -1.17 119.66 126.29 2k5l s GLN 52 Ca -0.11 -0.57 0.09 0.00 0.01 0.00 0.00 55.36 54.78 2k5l s GLN 52 Cb -0.16 -3.95 -0.03 0.00 -1.01 0.00 0.00 33.01 27.86 2k5l s GLN 52 CO 0.05 -0.92 -0.25 0.96 0.01 0.00 0.00 175.29 175.14 2k5l s ILE 53 N 2.45 2.05 -0.34 1.08 -4.36 0.07 -0.76 121.20 121.38 2k5l s ILE 53 Ca 0.17 -1.37 -0.10 0.00 -0.26 0.00 0.00 60.65 59.09 2k5l s ILE 53 Cb -0.16 -1.76 0.01 0.00 1.25 0.00 0.00 42.46 41.81 2k5l s ILE 53 CO 0.16 0.32 0.18 0.21 0.24 0.00 0.00 174.94 176.05 2k5l s ASN 54 N -1.26 5.64 -0.16 4.36 3.84 0.68 0.07 114.94 128.11 2k5l s ASN 54 Ca 0.11 -0.75 0.00 0.00 0.21 0.00 0.00 52.86 52.44 2k5l s ASN 54 Cb -0.10 -2.01 0.03 0.00 -0.55 0.00 0.00 41.25 38.61 2k5l s ASN 54 CO 0.02 -0.29 -0.14 -0.69 -2.79 0.00 0.00 177.10 173.22 2k5l s VAL 55 N 1.59 1.62 -1.72 -5.21 1.01 0.15 -2.89 120.40 114.95 2k5l s VAL 55 Ca 0.03 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2k5l s VAL 55 Cb -0.18 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.65 2k5l s VAL 55 CO 0.06 0.42 0.00 0.54 0.00 0.00 0.00 175.10 176.12 2k5l n ARG 56 N 4.75 -1.46 0.00 2.72 1.74 -1.26 -0.79 116.66 122.35 2k5l n ARG 56 Ca -0.17 0.98 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 2k5l n ARG 56 Cb 0.49 -5.47 0.00 0.00 -1.02 0.00 0.00 32.46 26.46 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 -0.92 2.57 3.72 -0.13 0.00 -1.26 -5.03 105.19 104.14 2k5l n GLY 57 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.34 3.52 -0.31 1.61 6.14 0.03 -5.04 117.35 120.95 2k5l s TYR 58 Ca 0.00 0.92 -0.15 0.00 0.64 0.00 0.00 57.07 58.48 2k5l s TYR 58 Cb 0.00 -2.57 -0.02 0.00 0.42 0.00 0.00 41.96 39.78 2k5l s TYR 58 CO 0.00 0.16 0.38 -2.00 0.64 0.00 0.00 175.55 174.73 2k5l s GLU 59 N 0.64 3.77 0.06 4.97 2.12 -1.26 0.34 118.70 129.34 2k5l s GLU 59 Ca 0.27 -0.20 0.07 0.00 0.36 0.00 0.00 54.97 55.47 2k5l s GLU 59 Cb -0.15 -3.74 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 2k5l s GLU 59 CO 0.11 -0.43 -0.17 -0.51 -0.54 0.00 0.00 175.26 173.72 2k5l s LEU 60 N 2.07 2.69 -0.33 2.70 1.43 0.11 -4.94 118.68 122.41 2k5l s LEU 60 Ca 0.14 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.76 2k5l s LEU 60 Cb -0.16 -1.56 0.05 0.00 0.03 0.00 0.00 46.19 44.55 2k5l s LEU 60 CO 0.11 0.23 0.06 -0.44 0.23 0.00 0.00 176.35 176.55 2k5l s SER 61 N -1.67 5.08 0.13 2.29 0.01 -1.26 -0.75 113.70 117.55 2k5l s SER 61 Ca 0.16 -1.32 0.04 0.00 1.31 0.00 0.00 55.95 56.14 2k5l s SER 61 Cb -0.11 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.30 2k5l s SER 61 CO 0.07 -0.32 0.12 -0.76 0.41 0.00 0.00 173.24 172.76 2k5l s LEU 62 N 1.29 3.83 0.51 2.44 1.43 -0.32 -4.85 118.68 123.01 2k5l s LEU 62 Ca -0.02 -0.08 -0.22 0.00 -1.03 0.00 0.00 54.13 52.78 2k5l s LEU 62 Cb -0.20 -2.46 -0.06 0.00 0.03 0.00 0.00 46.19 43.50 2k5l s LEU 62 CO -0.00 0.10 1.24 -0.13 0.23 0.00 0.00 176.35 177.79 2k5l s ARG 63 N -2.86 3.43 0.25 1.70 3.00 -1.26 -1.07 118.95 122.14 2k5l s ARG 63 Ca 0.31 1.94 -0.03 0.00 0.00 0.00 0.00 55.73 57.94 2k5l s ARG 63 Cb -0.11 -2.28 0.44 0.00 0.00 0.00 0.00 34.95 33.00 2k5l s ARG 63 CO 0.23 -0.87 1.80 -0.22 0.00 0.00 0.00 175.30 176.25 2k5l h LYS 64 N 1.67 0.76 -0.26 3.54 3.11 -1.93 -0.91 116.57 122.54 2k5l h LYS 64 Ca -0.50 -0.05 -0.02 0.00 -2.81 0.00 0.00 60.65 57.28 2k5l h LYS 64 Cb 1.27 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 32.32 2k5l h LYS 64 CO 0.58 0.50 0.09 0.77 -2.81 0.00 0.00 179.45 178.59 2k5l h SER 65 N 0.79 0.33 0.33 4.20 0.02 -1.92 -2.26 113.55 115.03 2k5l h SER 65 Ca 0.42 -0.03 -0.22 0.00 -0.84 0.00 0.00 61.79 61.13 2k5l h SER 65 Cb 0.43 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2k5l h SER 65 CO -0.27 0.32 -0.90 0.00 -1.14 0.00 0.00 176.83 174.84 2k5l h ALA 66 N 1.73 0.41 0.00 3.77 0.00 -1.55 -3.10 119.26 120.51 2k5l h ALA 66 Ca 0.09 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 2k5l h ALA 66 Cb 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k5l h ALA 66 CO -0.01 0.81 -0.10 0.00 0.00 0.00 0.00 179.25 179.96 2k5l h ALA 67 N 0.78 1.05 -0.08 0.00 0.00 -0.84 -2.18 119.26 117.98 2k5l h ALA 67 Ca -0.07 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2k5l h ALA 67 Cb 1.53 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 2k5l h ALA 67 CO 0.16 0.12 -0.34 0.93 0.00 0.00 0.00 179.25 180.12 2k5l h GLU 68 N 0.00 0.16 0.00 0.00 5.08 -1.38 -1.89 114.58 116.55 2k5l h GLU 68 Ca -0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2k5l h GLU 68 Cb 0.54 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2k5l h GLU 68 CO 0.01 0.48 -0.30 0.52 -1.00 0.00 0.00 179.01 178.73 2k5l h MET 69 N 0.14 0.00 -6.47 2.33 2.86 -1.47 -3.44 114.93 108.88 2k5l h MET 69 Ca 0.02 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.08 2k5l h MET 69 Cb 0.67 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.24 2k5l h MET 69 CO 0.05 0.03 0.80 0.42 1.06 0.00 0.00 176.91 179.27 2k5l s ILE 70 N -3.23 4.29 -0.39 -1.22 1.01 -1.17 0.29 121.20 120.79 2k5l s ILE 70 Ca 0.05 0.98 -0.22 0.00 0.00 0.00 0.00 60.65 61.46 2k5l s ILE 70 Cb 0.06 -4.56 0.01 0.00 0.01 0.00 0.00 42.46 37.99 2k5l s ILE 70 CO 0.71 -0.99 0.73 -0.70 0.00 0.00 0.00 174.94 174.68 2k5l s GLU 71 N 4.24 3.60 0.29 2.79 2.56 -0.18 -0.72 118.70 131.27 2k5l s GLU 71 Ca 0.43 0.06 0.09 0.00 0.00 0.00 0.00 54.97 55.55 2k5l s GLU 71 Cb -0.08 -3.86 -0.06 0.00 2.00 0.00 0.00 34.13 32.13 2k5l s GLU 71 CO 0.29 -0.90 -0.12 0.14 -0.56 0.00 0.00 175.26 174.11 2k5l s VAL 72 N 3.00 2.07 0.01 3.70 -7.23 -0.19 -1.03 120.40 120.74 2k5l s VAL 72 Ca 0.28 -2.24 0.03 0.00 -1.81 0.00 0.00 61.98 58.25 2k5l s VAL 72 Cb -0.13 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 2k5l s VAL 72 CO 0.18 -0.33 -0.05 -1.83 -0.31 0.00 0.00 175.10 172.75 2k5l s GLU 73 N -3.62 2.57 -0.38 4.82 -1.05 0.30 -4.51 118.70 116.83 2k5l s GLU 73 Ca 0.30 -0.72 -0.29 0.00 -0.15 0.00 0.00 54.97 54.11 2k5l s GLU 73 Cb 0.00 -2.52 0.00 0.00 -0.44 0.00 0.00 34.13 31.18 2k5l s GLU 73 CO 0.14 0.60 1.46 -1.17 0.95 0.00 0.00 175.26 177.23 2k5l s LEU 74 N -1.52 3.63 0.85 1.83 1.98 -1.26 -1.71 118.68 122.48 2k5l s LEU 74 Ca 0.18 0.98 -0.12 0.00 -2.89 0.00 0.00 54.13 52.28 2k5l s LEU 74 Cb -0.11 -3.54 0.10 0.00 0.66 0.00 0.00 46.19 43.30 2k5l s LEU 74 CO 0.09 -1.42 1.16 1.21 -1.89 0.00 0.00 176.35 175.51 2k5l n GLU 75 N 8.01 -0.05 -1.67 1.98 0.00 -0.82 -4.83 120.64 123.25 2k5l n GLU 75 Ca 0.17 0.06 -0.43 0.00 0.00 0.00 0.00 57.16 56.97 2k5l n GLU 75 Cb 0.47 -2.40 -0.03 0.00 0.00 0.00 0.00 31.44 29.48 2k5l n GLU 75 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2k5l s HIS 76 N -2.30 1.27 -1.20 4.31 3.76 -1.26 -4.81 115.29 115.06 2k5l s HIS 76 Ca 0.71 0.59 0.02 0.00 -0.15 0.00 0.00 55.06 56.23 2k5l s HIS 76 Cb -0.27 -3.95 0.10 0.00 1.11 0.00 0.00 32.58 29.57 2k5l s HIS 76 CO 0.54 -3.84 0.77 -2.39 -0.85 0.00 0.00 174.74 168.97 2k5l n HIS 77 N 11.62 0.23 -0.67 1.40 1.44 -1.26 -4.97 115.22 123.03 2k5l n HIS 77 Ca 0.29 -0.09 0.02 0.00 -2.01 0.00 0.00 57.72 55.94 2k5l n HIS 77 Cb 0.46 -0.11 -0.01 0.00 0.12 0.00 0.00 29.99 30.44 2k5l n HIS 77 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2k5l n HIS 78 N 0.00 -1.81 -2.90 -1.40 8.25 -1.26 -4.98 115.22 111.12 2k5l n HIS 78 Ca 0.04 0.99 -0.00 0.00 -0.26 0.00 0.00 57.72 58.48 2k5l n HIS 78 Cb 0.30 -1.75 0.00 0.00 1.12 0.00 0.00 29.99 29.66 2k5l n HIS 78 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k5l n HIS 79 N -2.32 -2.70 0.21 4.41 -0.00 -1.26 -4.95 115.22 108.61 2k5l n HIS 79 Ca -0.01 1.03 0.11 0.00 -0.00 0.00 0.00 57.72 58.85 2k5l n HIS 79 Cb 0.24 -3.86 -0.05 0.00 -0.00 0.00 0.00 29.99 26.32 2k5l n HIS 79 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k5l n HIS 80 N -1.66 0.43 -0.24 1.57 -0.00 -1.26 -5.24 115.22 108.81 2k5l n HIS 80 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 2k5l n HIS 80 Cb 0.50 -0.64 0.00 0.00 -0.00 0.00 0.00 29.99 29.85 2k5l n HIS 80 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92