#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 3.00 0.27 3.17 5.36 -1.26 -5.03 117.98 123.49 2k5l s PHE 2 Ca 0.00 0.51 -0.12 0.00 -0.96 0.00 0.00 56.93 56.35 2k5l s PHE 2 Cb 0.00 -3.78 -0.08 0.00 -0.34 0.00 0.00 43.02 38.81 2k5l s PHE 2 CO 0.00 -0.97 0.64 0.45 -1.46 0.00 0.00 175.22 173.89 2k5l s SER 3 N 2.09 6.71 0.62 6.13 0.15 -1.26 -1.00 113.70 127.13 2k5l s SER 3 Ca 0.36 1.10 0.39 0.00 0.70 0.00 0.00 55.95 58.50 2k5l s SER 3 Cb -0.11 -2.30 2.00 0.00 -1.71 0.00 0.00 66.02 63.90 2k5l s SER 3 CO 0.23 -0.13 2.23 0.25 1.20 0.00 0.00 173.24 177.01 2k5l h LEU 4 N 2.44 0.00 -0.16 3.45 5.85 -1.06 -2.38 115.31 123.45 2k5l h LEU 4 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2k5l h LEU 4 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 2k5l h LEU 4 CO 0.67 0.01 0.00 0.08 -0.34 0.00 0.00 178.44 178.87 2k5l h ARG 5 N 0.00 0.00 0.00 1.25 0.11 -1.86 -3.15 114.38 110.74 2k5l h ARG 5 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k5l h ARG 5 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 2k5l h ARG 5 CO 0.00 0.00 -0.62 0.22 0.10 0.00 0.00 179.97 179.67 2k5l h ASP 6 N 0.00 0.00 -4.18 0.08 1.82 -1.77 -3.47 116.42 108.90 2k5l h ASP 6 Ca 0.00 -0.14 -0.53 0.00 -0.39 0.00 0.00 57.03 55.97 2k5l h ASP 6 Cb 0.72 0.00 0.15 0.00 0.68 0.00 0.00 39.33 40.88 2k5l h ASP 6 CO 0.00 0.07 0.39 0.00 -1.61 0.00 0.00 179.24 178.09 2k5l s ALA 7 N -3.21 2.16 0.40 -0.78 0.00 -1.19 -5.04 121.76 114.11 2k5l s ALA 7 Ca 0.05 0.83 0.07 0.00 0.00 0.00 0.00 51.96 52.92 2k5l s ALA 7 Cb 0.12 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 2k5l s ALA 7 CO 0.72 -1.80 0.10 0.15 0.00 0.00 0.00 175.76 174.93 2k5l s LYS 8 N -3.94 2.11 -0.28 0.00 -0.14 -1.26 -4.96 119.74 111.26 2k5l s LYS 8 Ca 0.73 -1.94 -0.28 0.00 -1.36 0.00 0.00 55.97 53.12 2k5l s LYS 8 Cb -0.28 -1.85 -0.03 0.00 -1.68 0.00 0.00 37.83 34.00 2k5l s LYS 8 CO 0.45 -0.06 1.90 0.00 -0.76 0.00 0.00 175.35 176.88 2k5l n GLY 10 N 5.45 1.33 3.82 0.00 0.00 0.14 -4.98 105.19 110.97 2k5l n GLY 10 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.29 4.20 -0.12 1.61 -1.52 -0.33 -4.89 119.66 118.31 2k5l s GLN 11 Ca 0.00 0.83 -0.02 0.00 -1.95 0.00 0.00 55.36 54.22 2k5l s GLN 11 Cb 0.00 -2.77 -0.03 0.00 -0.22 0.00 0.00 33.01 29.99 2k5l s GLN 11 CO 0.00 0.33 -0.04 0.99 -0.25 0.00 0.00 175.29 176.32 2k5l s THR 12 N -1.64 3.88 0.05 -0.19 2.01 -1.26 -1.37 115.64 117.12 2k5l s THR 12 Ca 0.46 -0.38 0.03 0.00 0.31 0.00 0.00 61.69 62.11 2k5l s THR 12 Cb -0.15 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 2k5l s THR 12 CO 0.20 0.54 -0.10 0.68 -0.69 0.00 0.00 174.62 175.25 2k5l s VAL 13 N -0.13 0.70 -0.17 3.82 -7.23 -0.01 -0.49 120.40 116.89 2k5l s VAL 13 Ca 0.03 -1.13 -0.02 0.00 -1.81 0.00 0.00 61.98 59.04 2k5l s VAL 13 Cb -0.13 -0.74 -0.01 0.00 0.56 0.00 0.00 36.38 36.06 2k5l s VAL 13 CO 0.03 -0.33 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.66 2k5l s LYS 14 N -1.60 3.44 0.08 4.82 2.20 -0.03 0.53 119.74 129.18 2k5l s LYS 14 Ca -0.07 -0.63 -0.31 0.00 -0.36 0.00 0.00 55.97 54.60 2k5l s LYS 14 Cb -0.10 -2.84 -0.07 0.00 -1.51 0.00 0.00 37.83 33.31 2k5l s LYS 14 CO 0.01 0.05 1.31 0.08 -0.36 0.00 0.00 175.35 176.44 2k5l s VAL 15 N 0.82 3.65 -0.04 4.02 1.01 -1.12 -1.23 120.40 127.50 2k5l s VAL 15 Ca -0.03 1.17 -0.01 0.00 0.00 0.00 0.00 61.98 63.11 2k5l s VAL 15 Cb -0.15 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2k5l s VAL 15 CO 0.01 0.08 -0.05 1.33 0.00 0.00 0.00 175.10 176.47 2k5l n VAL 16 N 4.03 0.24 -4.25 2.92 0.24 -0.12 -0.79 118.33 120.61 2k5l n VAL 16 Ca 0.11 -0.07 -0.16 0.00 -2.04 0.00 0.00 64.34 62.17 2k5l n VAL 16 Cb 0.44 -1.23 -0.11 0.00 -1.47 0.00 0.00 33.84 31.48 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 -2.08 1.05 -0.12 7.34 3.01 -0.56 -4.86 119.74 123.52 2k5l s LYS 17 Ca -0.06 -1.33 -0.01 0.00 -1.01 0.00 0.00 55.97 53.56 2k5l s LYS 17 Cb 0.02 -0.80 0.03 0.00 -1.01 0.00 0.00 37.83 36.08 2k5l s LYS 17 CO 0.08 0.13 -0.05 -0.51 0.51 0.00 0.00 175.35 175.52 2k5l s LEU 18 N -2.76 1.15 0.72 3.17 1.43 -1.26 -0.70 118.68 120.42 2k5l s LEU 18 Ca 0.12 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2k5l s LEU 18 Cb -0.02 -0.76 0.12 0.00 0.03 0.00 0.00 46.19 45.56 2k5l s LEU 18 CO 0.02 -0.16 1.00 -1.00 0.23 0.00 0.00 176.35 176.44 2k5l s HIS 19 N 1.76 1.86 -0.23 0.29 3.76 -0.43 -4.99 115.29 117.31 2k5l s HIS 19 Ca 0.04 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 2k5l s HIS 19 Cb -0.13 -3.07 0.00 0.00 1.11 0.00 0.00 32.58 30.48 2k5l s HIS 19 CO -0.07 -1.66 0.00 0.41 -0.85 0.00 0.00 174.74 172.57 2k5l n GLY 20 N -2.86 0.70 0.00 -2.22 0.00 -1.26 -4.73 105.19 94.82 2k5l n GLY 20 Ca 0.14 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.85 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 -0.61 0.00 0.16 2.61 -2.24 -1.26 -5.00 114.28 107.93 2k5l n THR 21 Ca 0.00 0.36 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 2k5l n THR 21 Cb 0.00 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 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 1.67 -1.57 0.27 3.38 0.00 -1.26 -4.94 105.19 102.74 2k5l n GLY 22 Ca 0.00 0.39 0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 1.48 -0.66 4.61 0.00 -1.99 -1.22 119.26 121.48 2k5l h ALA 23 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.78 2k5l h ALA 23 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2k5l h ALA 23 CO 0.00 0.38 0.41 1.25 0.00 0.00 0.00 179.25 181.28 2k5l h LEU 24 N 0.45 0.66 -0.55 0.00 5.85 -1.96 0.33 115.31 120.09 2k5l h LEU 24 Ca 0.10 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2k5l h LEU 24 Cb 0.25 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2k5l h LEU 24 CO 0.00 0.45 0.26 0.11 -0.34 0.00 0.00 178.44 178.92 2k5l h LYS 25 N 0.79 0.80 -0.42 1.25 1.57 -1.54 -0.35 116.57 118.67 2k5l h LYS 25 Ca 0.27 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 2k5l h LYS 25 Cb 0.05 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 2k5l h LYS 25 CO -0.12 0.66 0.20 -0.09 -0.57 0.00 0.00 179.45 179.53 2k5l h ARG 26 N 0.74 0.38 -0.33 3.15 9.65 -0.89 0.65 114.38 127.74 2k5l h ARG 26 Ca 0.19 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.06 2k5l h ARG 26 Cb 0.13 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 2k5l h ARG 26 CO -0.02 0.25 0.19 -0.09 2.80 0.00 0.00 179.97 183.10 2k5l h ARG 27 N 0.40 0.38 -0.58 0.20 9.65 -0.45 0.11 114.38 124.08 2k5l h ARG 27 Ca 0.18 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 59.00 2k5l h ARG 27 Cb 0.11 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 2k5l h ARG 27 CO -0.14 0.25 0.22 0.82 2.80 0.00 0.00 179.97 183.92 2k5l h ILE 28 N 0.39 1.23 0.01 1.20 2.04 -0.79 -1.88 117.51 119.71 2k5l h ILE 28 Ca 0.13 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 2k5l h ILE 28 Cb 0.00 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2k5l h ILE 28 CO -0.06 0.28 -0.00 0.24 0.00 0.00 0.00 178.15 178.61 2k5l h MET 29 N 0.81 -0.01 -0.08 2.37 2.86 -0.46 -1.76 114.93 118.66 2k5l h MET 29 Ca 0.19 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.79 2k5l h MET 29 Cb 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 2k5l h MET 29 CO -0.01 0.22 -0.18 0.22 1.06 0.00 0.00 176.91 178.22 2k5l h ASP 30 N -0.24 0.12 0.23 1.22 1.82 -0.77 -0.94 116.42 117.85 2k5l h ASP 30 Ca -0.00 -0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.60 2k5l h ASP 30 Cb 0.24 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.22 2k5l h ASP 30 CO 0.00 0.31 -0.09 -0.03 -1.61 0.00 0.00 179.24 177.81 2k5l h MET 31 N 0.12 0.00 0.00 0.28 4.05 -1.14 -3.46 114.93 114.78 2k5l h MET 31 Ca 0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2k5l h MET 31 Cb 0.38 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 2k5l h MET 31 CO 0.03 0.09 0.00 0.41 0.23 0.00 0.00 176.91 177.67 2k5l n GLY 32 N -0.92 1.68 3.55 1.39 0.00 -0.36 -5.03 105.19 105.49 2k5l n GLY 32 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.25 3.99 0.28 -0.61 1.09 -0.68 -4.96 121.20 119.05 2k5l s ILE 33 Ca 0.00 0.53 0.02 0.00 -1.10 0.00 0.00 60.65 60.09 2k5l s ILE 33 Cb 0.00 -4.77 -0.05 0.00 -1.06 0.00 0.00 42.46 36.59 2k5l s ILE 33 CO 0.00 -1.50 0.11 0.42 -0.10 0.00 0.00 174.94 173.86 2k5l s THR 34 N 5.01 0.56 0.02 2.92 -4.23 -1.26 -3.36 115.64 115.30 2k5l s THR 34 Ca 0.36 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.57 2k5l s THR 34 Cb -0.09 -2.62 -0.05 0.00 1.34 0.00 0.00 72.50 71.08 2k5l s THR 34 CO 0.19 0.00 1.31 -0.13 -0.54 0.00 0.00 174.62 175.46 2k5l s ARG 35 N -3.98 4.33 0.00 3.99 0.52 -1.26 -2.60 118.95 119.96 2k5l s ARG 35 Ca 0.37 1.88 0.00 0.00 -0.52 0.00 0.00 55.73 57.46 2k5l s ARG 35 Cb 0.07 -3.48 0.00 0.00 0.52 0.00 0.00 34.95 32.06 2k5l s ARG 35 CO 0.14 -0.46 0.00 0.41 0.02 0.00 0.00 175.30 175.41 2k5l n GLY 36 N 3.48 0.24 3.82 -3.53 0.00 0.03 -5.01 105.19 104.23 2k5l n GLY 36 Ca 0.12 0.00 -0.36 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 -1.97 4.19 -0.32 0.00 2.02 -1.26 -2.78 118.70 118.58 2k5l s GLU 38 Ca 0.42 0.87 -0.10 0.00 0.02 0.00 0.00 54.97 56.18 2k5l s GLU 38 Cb -0.16 -3.63 -0.00 0.00 0.10 0.00 0.00 34.13 30.43 2k5l s GLU 38 CO 0.21 -0.46 0.16 0.42 0.02 0.00 0.00 175.26 175.61 2k5l s ILE 39 N 2.64 4.62 -0.39 -1.63 -1.09 0.19 -4.85 121.20 120.69 2k5l s ILE 39 Ca 0.34 -0.48 -0.19 0.00 -2.23 0.00 0.00 60.65 58.08 2k5l s ILE 39 Cb -0.15 -3.39 0.01 0.00 -1.58 0.00 0.00 42.46 37.34 2k5l s ILE 39 CO 0.08 0.02 0.55 -0.47 -1.23 0.00 0.00 174.94 173.89 2k5l s TYR 40 N 1.61 3.14 -0.46 3.97 5.04 -1.22 -0.83 117.35 128.60 2k5l s TYR 40 Ca 0.04 0.01 -0.25 0.00 -2.44 0.00 0.00 57.07 54.43 2k5l s TYR 40 Cb -0.17 -3.06 0.03 0.00 0.35 0.00 0.00 41.96 39.10 2k5l s TYR 40 CO 0.06 -0.68 0.93 0.42 -1.34 0.00 0.00 175.55 174.94 2k5l s ILE 41 N 2.50 4.47 -0.07 3.14 -1.09 -0.47 -0.70 121.20 128.98 2k5l s ILE 41 Ca 0.19 0.76 0.18 0.00 -2.23 0.00 0.00 60.65 59.55 2k5l s ILE 41 Cb -0.15 -4.43 -0.27 0.00 -1.58 0.00 0.00 42.46 36.02 2k5l s ILE 41 CO 0.15 -0.83 0.31 -2.11 -1.23 0.00 0.00 174.94 171.23 2k5l n ARG 42 N 7.16 0.74 -3.69 2.79 1.85 -0.73 0.27 116.66 125.05 2k5l n ARG 42 Ca 0.06 -0.12 -0.10 0.00 -1.00 0.00 0.00 57.85 56.69 2k5l n ARG 42 Cb 0.48 -1.46 -0.11 0.00 -1.05 0.00 0.00 32.46 30.33 2k5l n ARG 42 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2k5l s LYS 43 N -3.05 0.35 -0.13 2.89 2.20 -1.14 -4.62 119.74 116.23 2k5l s LYS 43 Ca -0.08 0.82 0.01 0.00 -0.36 0.00 0.00 55.97 56.36 2k5l s LYS 43 Cb 0.10 0.04 0.02 0.00 -1.51 0.00 0.00 37.83 36.48 2k5l s LYS 43 CO 0.78 -0.19 -0.15 0.08 -0.36 0.00 0.00 175.35 175.52 2k5l s VAL 44 N 1.71 1.55 0.42 4.02 1.01 -1.26 -0.36 120.40 127.49 2k5l s VAL 44 Ca -0.07 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.03 2k5l s VAL 44 Cb -0.10 -1.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.76 2k5l s VAL 44 CO -0.12 0.45 1.15 0.00 0.00 0.00 0.00 175.10 176.59 2k5l s ALA 45 N 1.30 3.07 0.55 5.51 0.00 -1.15 -4.92 121.76 126.12 2k5l s ALA 45 Ca 0.01 0.92 0.23 0.00 0.00 0.00 0.00 51.96 53.12 2k5l s ALA 45 Cb -0.14 -3.37 1.51 0.00 0.00 0.00 0.00 23.12 21.13 2k5l s ALA 45 CO -0.07 -0.54 2.15 -1.35 0.00 0.00 0.00 175.76 175.94 2k5l h PRO 46 N 2.38 0.00 -0.51 0.00 0.11 -1.92 0.92 132.00 132.97 2k5l h PRO 46 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2k5l h PRO 46 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2k5l h PRO 46 CO 0.61 0.00 0.00 1.47 -0.21 0.00 0.00 178.00 179.87 2k5l n LEU 47 N -4.19 3.65 0.00 2.35 -0.00 -1.26 -4.96 117.00 112.59 2k5l n LEU 47 Ca -0.01 -1.67 0.00 0.00 -0.00 0.00 0.00 56.01 54.34 2k5l n LEU 47 Cb 0.20 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.29 2k5l n LEU 47 CO 0.31 0.83 0.00 0.61 -0.00 0.00 0.00 177.39 179.14 2k5l n GLY 48 N 1.56 2.87 3.27 1.47 0.00 0.32 -5.01 105.19 109.67 2k5l n GLY 48 Ca 0.21 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 0.40 3.36 0.54 1.61 2.15 -1.26 -3.87 116.67 119.60 2k5l s ASP 49 Ca 0.00 -0.49 0.05 0.00 0.43 0.00 0.00 52.55 52.54 2k5l s ASP 49 Cb 0.00 -1.43 0.05 0.00 -0.30 0.00 0.00 42.92 41.24 2k5l s ASP 49 CO 0.00 0.17 0.75 -2.16 -0.17 0.00 0.00 175.17 173.76 2k5l s PRO 50 N 0.31 2.45 -0.14 4.34 0.04 -1.26 -4.79 135.00 135.95 2k5l s PRO 50 Ca -0.16 -1.13 -0.03 0.00 0.04 0.00 0.00 61.00 59.72 2k5l s PRO 50 Cb -0.17 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 2k5l s PRO 50 CO 0.08 -0.72 -0.02 0.42 0.04 0.00 0.00 177.00 176.80 2k5l s ILE 51 N -2.68 4.06 -0.33 0.56 1.01 -0.69 -2.94 121.20 120.19 2k5l s ILE 51 Ca 0.59 -0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.80 2k5l s ILE 51 Cb -0.09 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.60 2k5l s ILE 51 CO 0.38 0.52 0.23 -1.58 0.00 0.00 0.00 174.94 174.49 2k5l s GLN 52 N 0.02 3.55 -0.03 2.79 2.00 0.51 -1.30 119.66 127.20 2k5l s GLN 52 Ca 0.01 -0.61 0.08 0.00 -2.00 0.00 0.00 55.36 52.85 2k5l s GLN 52 Cb -0.13 -3.79 -0.02 0.00 0.80 0.00 0.00 33.01 29.87 2k5l s GLN 52 CO 0.02 -0.41 -0.26 0.96 -0.50 0.00 0.00 175.29 175.10 2k5l s ILE 53 N 1.73 2.06 -0.41 -2.34 -4.36 -0.46 -1.77 121.20 115.64 2k5l s ILE 53 Ca 0.06 -1.10 -0.18 0.00 -0.26 0.00 0.00 60.65 59.17 2k5l s ILE 53 Cb -0.17 -1.71 0.02 0.00 1.25 0.00 0.00 42.46 41.85 2k5l s ILE 53 CO 0.11 0.58 0.48 0.20 0.24 0.00 0.00 174.94 176.54 2k5l s ASN 54 N -0.55 6.23 -0.04 4.36 0.02 0.13 0.24 114.94 125.34 2k5l s ASN 54 Ca 0.08 -0.51 0.01 0.00 -1.02 0.00 0.00 52.86 51.42 2k5l s ASN 54 Cb -0.11 -2.25 0.02 0.00 0.02 0.00 0.00 41.25 38.94 2k5l s ASN 54 CO -0.00 -0.59 -0.03 -0.69 0.02 0.00 0.00 177.10 175.80 2k5l s VAL 55 N 2.29 0.42 -1.93 1.60 1.01 0.08 -3.41 120.40 120.45 2k5l s VAL 55 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2k5l s VAL 55 Cb -0.16 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.76 2k5l s VAL 55 CO 0.14 0.19 0.00 0.54 0.00 0.00 0.00 175.10 175.98 2k5l n ARG 56 N 3.98 -1.42 0.00 2.72 5.12 -1.26 -1.09 116.66 124.70 2k5l n ARG 56 Ca -0.25 1.10 0.00 0.00 -1.93 0.00 0.00 57.85 56.77 2k5l n ARG 56 Cb 0.51 -5.52 0.00 0.00 -1.16 0.00 0.00 32.46 26.29 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 -0.73 1.52 3.95 -0.13 0.00 -1.26 -5.04 105.19 103.51 2k5l n GLY 57 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.37 3.47 -0.37 1.61 2.02 -0.25 -5.08 117.35 116.39 2k5l s TYR 58 Ca 0.00 0.09 -0.14 0.00 -0.37 0.00 0.00 57.07 56.65 2k5l s TYR 58 Cb 0.00 -1.65 -0.00 0.00 -0.40 0.00 0.00 41.96 39.90 2k5l s TYR 58 CO 0.00 0.45 0.29 -1.83 -1.57 0.00 0.00 175.55 172.89 2k5l s GLU 59 N -3.61 3.31 -0.20 -0.62 -1.05 -1.26 -0.74 118.70 114.53 2k5l s GLU 59 Ca 0.35 -0.74 -0.08 0.00 -0.15 0.00 0.00 54.97 54.35 2k5l s GLU 59 Cb -0.10 -3.87 -0.04 0.00 -0.44 0.00 0.00 34.13 29.67 2k5l s GLU 59 CO 0.29 -0.58 0.09 -0.51 0.95 0.00 0.00 175.26 175.50 2k5l s LEU 60 N 1.78 3.91 -0.45 1.83 1.43 0.14 -4.89 118.68 122.42 2k5l s LEU 60 Ca 0.07 0.09 -0.22 0.00 -1.03 0.00 0.00 54.13 53.04 2k5l s LEU 60 Cb -0.18 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.06 2k5l s LEU 60 CO 0.11 0.14 0.70 -0.94 0.23 0.00 0.00 176.35 176.59 2k5l s SER 61 N 0.59 6.35 -0.09 2.29 1.04 -1.26 -1.36 113.70 121.26 2k5l s SER 61 Ca 0.05 -0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 2k5l s SER 61 Cb -0.13 -2.34 -0.03 0.00 0.10 0.00 0.00 66.02 63.62 2k5l s SER 61 CO 0.01 -0.84 0.01 -0.22 0.98 0.00 0.00 173.24 173.17 2k5l s LEU 62 N 3.00 3.60 0.30 2.42 2.96 -0.42 -4.94 118.68 125.60 2k5l s LEU 62 Ca 0.25 0.15 -0.29 0.00 -0.22 0.00 0.00 54.13 54.02 2k5l s LEU 62 Cb -0.14 -1.83 -0.10 0.00 0.50 0.00 0.00 46.19 44.62 2k5l s LEU 62 CO 0.20 0.37 1.44 -0.60 -1.32 0.00 0.00 176.35 176.44 2k5l s ARG 63 N -0.86 4.24 0.38 1.98 6.06 -1.26 -1.71 118.95 127.78 2k5l s ARG 63 Ca 0.13 2.38 0.09 0.00 -2.50 0.00 0.00 55.73 55.83 2k5l s ARG 63 Cb -0.11 -3.06 0.84 0.00 0.06 0.00 0.00 34.95 32.68 2k5l s ARG 63 CO 0.02 -0.42 1.92 1.57 -2.50 0.00 0.00 175.30 175.90 2k5l h LYS 64 N 4.18 0.63 -0.33 5.12 2.10 -1.94 0.08 116.57 126.42 2k5l h LYS 64 Ca -0.48 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.12 2k5l h LYS 64 Cb 1.22 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 32.40 2k5l h LYS 64 CO 0.72 0.42 0.16 1.03 -2.00 0.00 0.00 179.45 179.77 2k5l h SER 65 N 0.65 0.40 -0.03 7.07 0.87 -1.92 -0.91 113.55 119.68 2k5l h SER 65 Ca 0.37 -0.03 -0.26 0.00 -1.23 0.00 0.00 61.79 60.65 2k5l h SER 65 Cb 0.55 -0.10 0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2k5l h SER 65 CO -0.14 0.35 -0.99 0.00 -0.53 0.00 0.00 176.83 175.52 2k5l h ALA 66 N 1.72 0.15 -0.57 6.23 0.00 -1.38 -3.05 119.26 122.36 2k5l h ALA 66 Ca 0.12 -0.68 0.04 0.00 0.00 0.00 0.00 54.91 54.39 2k5l h ALA 66 Cb 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2k5l h ALA 66 CO -0.02 0.68 0.31 0.00 0.00 0.00 0.00 179.25 180.22 2k5l h ALA 67 N 0.42 0.74 0.00 0.00 0.00 -0.48 0.57 119.26 120.51 2k5l h ALA 67 Ca -0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k5l h ALA 67 Cb 1.64 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2k5l h ALA 67 CO 0.20 -0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.60 2k5l n GLU 68 N -4.82 0.84 0.00 0.00 0.28 -0.43 -1.93 120.64 114.58 2k5l n GLU 68 Ca 0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.10 2k5l n GLU 68 Cb 0.12 -1.45 0.03 0.00 1.43 0.00 0.00 31.44 31.57 2k5l n GLU 68 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 2k5l n MET 69 N -0.95 0.79 -4.01 3.44 1.56 0.06 -4.95 117.12 113.06 2k5l n MET 69 Ca 0.18 -0.96 -0.34 0.00 -0.27 0.00 0.00 57.70 56.31 2k5l n MET 69 Cb 0.08 -1.16 -0.10 0.00 2.15 0.00 0.00 33.22 34.20 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 -0.93 4.80 -0.32 1.12 1.01 -0.45 -1.32 121.20 125.11 2k5l s ILE 70 Ca 0.11 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.58 2k5l s ILE 70 Cb 0.08 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 2k5l s ILE 70 CO 0.15 0.47 0.32 -0.70 0.00 0.00 0.00 174.94 175.17 2k5l s GLU 71 N 0.31 3.69 0.37 2.79 2.12 0.12 -2.38 118.70 125.72 2k5l s GLU 71 Ca 0.03 -0.36 0.04 0.00 0.36 0.00 0.00 54.97 55.04 2k5l s GLU 71 Cb -0.12 -3.76 -0.01 0.00 0.26 0.00 0.00 34.13 30.50 2k5l s GLU 71 CO 0.00 -0.42 0.14 1.33 -0.54 0.00 0.00 175.26 175.77 2k5l n VAL 72 N 5.17 0.00 -4.01 3.70 0.24 -0.17 -0.94 118.33 122.32 2k5l n VAL 72 Ca -0.10 -2.15 -0.12 0.00 -2.04 0.00 0.00 64.34 59.92 2k5l n VAL 72 Cb 0.50 0.78 -0.13 0.00 -1.47 0.00 0.00 33.84 33.52 2k5l n VAL 72 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2k5l s GLU 73 N -3.40 0.30 -0.25 7.34 2.56 -0.36 -4.37 118.70 120.52 2k5l s GLU 73 Ca 0.19 -0.36 -0.29 0.00 0.00 0.00 0.00 54.97 54.51 2k5l s GLU 73 Cb 0.01 -0.14 -0.02 0.00 2.00 0.00 0.00 34.13 35.98 2k5l s GLU 73 CO 0.14 0.03 1.66 -1.17 -0.56 0.00 0.00 175.26 175.35 2k5l s LEU 74 N -0.74 3.80 -0.54 2.70 1.98 -1.26 -0.85 118.68 123.77 2k5l s LEU 74 Ca -0.06 1.54 -0.26 0.00 -2.89 0.00 0.00 54.13 52.46 2k5l s LEU 74 Cb -0.05 -3.53 -0.05 0.00 0.66 0.00 0.00 46.19 43.22 2k5l s LEU 74 CO -0.00 -1.36 2.13 -1.61 -1.89 0.00 0.00 176.35 173.62 2k5l s GLU 75 N 4.90 2.39 -0.19 1.98 0.41 0.36 -4.90 118.70 123.65 2k5l s GLU 75 Ca 0.73 1.05 -0.29 0.00 -0.41 0.00 0.00 54.97 56.06 2k5l s GLU 75 Cb -0.24 -4.48 -0.05 0.00 -1.78 0.00 0.00 34.13 27.58 2k5l s GLU 75 CO 0.31 -2.97 2.03 -1.01 -0.49 0.00 0.00 175.26 173.13 2k5l s HIS 76 N 10.55 1.40 -0.74 1.61 3.76 -1.26 -4.70 115.29 125.90 2k5l s HIS 76 Ca 0.83 0.38 -0.03 0.00 -0.15 0.00 0.00 55.06 56.08 2k5l s HIS 76 Cb -0.15 -4.02 0.19 0.00 1.11 0.00 0.00 32.58 29.70 2k5l s HIS 76 CO 0.24 -4.03 0.59 -3.38 -0.85 0.00 0.00 174.74 167.31 2k5l s HIS 77 N 7.03 3.61 0.00 1.40 -3.43 -1.26 -4.64 115.29 118.00 2k5l s HIS 77 Ca 0.92 -2.77 0.00 0.00 -0.80 0.00 0.00 55.06 52.40 2k5l s HIS 77 Cb -0.32 -3.27 0.00 0.00 -1.43 0.00 0.00 32.58 27.56 2k5l s HIS 77 CO 0.35 -0.81 0.00 1.58 -2.00 0.00 0.00 174.74 173.86 2k5l n HIS 78 N 3.10 0.00 -3.50 0.38 -0.00 -1.26 -5.05 115.22 108.88 2k5l n HIS 78 Ca 0.13 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.60 2k5l n HIS 78 Cb 0.38 0.00 0.04 0.00 -0.00 0.00 0.00 29.99 30.42 2k5l n HIS 78 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k5l n HIS 79 N -2.25 -2.36 -3.56 1.57 -0.00 -1.26 -4.95 115.22 102.41 2k5l n HIS 79 Ca 0.00 0.79 -0.01 0.00 0.46 0.00 0.00 57.72 58.96 2k5l n HIS 79 Cb 0.44 -4.38 -0.05 0.00 -0.12 0.00 0.00 29.99 25.87 2k5l n HIS 79 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k5l s HIS 80 N -3.23 -0.69 -2.48 1.57 2.46 -1.26 -5.32 115.29 106.34 2k5l s HIS 80 Ca 0.51 1.28 0.28 0.00 0.47 0.00 0.00 55.06 57.61 2k5l s HIS 80 Cb -0.24 0.41 1.09 0.00 -0.13 0.00 0.00 32.58 33.71 2k5l s HIS 80 CO 0.63 -0.34 1.77 1.58 -2.47 0.00 0.00 174.74 175.91