#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2j n LYS 9 N 0.00 -0.90 -2.71 1.97 4.01 -1.26 -4.89 118.16 114.38 2k2j n LYS 9 Ca 0.00 0.59 -0.23 0.00 -0.51 0.00 0.00 58.31 58.17 2k2j n LYS 9 Cb 0.00 -1.10 0.11 0.00 -0.51 0.00 0.00 35.03 33.53 2k2j n LYS 9 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2k2j s ASP 10 N -4.91 4.41 -0.04 4.39 1.11 -1.26 -5.08 116.67 115.30 2k2j s ASP 10 Ca 0.00 -0.58 -0.02 0.00 0.18 0.00 0.00 52.55 52.14 2k2j s ASP 10 Cb 0.00 0.24 -0.01 0.00 1.07 0.00 0.00 42.92 44.22 2k2j s ASP 10 CO 0.00 -1.84 -0.03 -0.33 1.18 0.00 0.00 175.17 174.15 2k2j h GLU 11 N -0.42 0.00 -4.62 8.23 4.39 -2.09 -3.49 114.58 116.58 2k2j h GLU 11 Ca -0.33 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.11 2k2j h GLU 11 Cb 1.27 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 29.73 2k2j h GLU 11 CO 0.38 0.00 -0.72 -1.01 -1.16 0.00 0.00 179.01 176.50 2k2j s HIS 12 N -1.28 0.76 0.03 4.33 3.76 -1.26 -5.16 115.29 116.47 2k2j s HIS 12 Ca -0.03 -0.64 0.08 0.00 -0.15 0.00 0.00 55.06 54.32 2k2j s HIS 12 Cb 0.00 -0.45 -0.02 0.00 1.11 0.00 0.00 32.58 33.22 2k2j s HIS 12 CO 0.04 -0.10 -0.23 0.15 -0.85 0.00 0.00 174.74 173.75 2k2j s LYS 13 N -2.34 1.60 0.25 1.40 -0.14 -1.26 -5.12 119.74 114.13 2k2j s LYS 13 Ca -0.02 -0.95 -0.30 0.00 -1.36 0.00 0.00 55.97 53.34 2k2j s LYS 13 Cb -0.05 -1.69 -0.09 0.00 -1.68 0.00 0.00 37.83 34.32 2k2j s LYS 13 CO -0.01 0.44 1.12 -0.65 -0.76 0.00 0.00 175.35 175.49 2k2j s GLN 14 N -1.02 4.60 -0.29 1.68 -1.52 -1.26 -4.96 119.66 116.89 2k2j s GLN 14 Ca 0.09 1.82 -0.22 0.00 -1.95 0.00 0.00 55.36 55.09 2k2j s GLN 14 Cb -0.09 -3.21 0.13 0.00 -0.22 0.00 0.00 33.01 29.63 2k2j s GLN 14 CO 0.01 0.13 1.04 -1.14 -0.25 0.00 0.00 175.29 175.08 2k2j s GLN 15 N -1.09 0.44 0.00 2.91 0.74 -1.26 -0.98 119.66 120.41 2k2j s GLN 15 Ca 0.47 0.59 0.00 0.00 0.05 0.00 0.00 55.36 56.46 2k2j s GLN 15 Cb -0.32 0.18 0.00 0.00 1.10 0.00 0.00 33.01 33.97 2k2j s GLN 15 CO 0.40 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.49 2k2j n GLY 16 N 2.62 -0.69 3.05 2.59 0.00 -0.54 -4.99 105.19 107.23 2k2j n GLY 16 Ca -0.14 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 2k2j n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2j s GLU 17 N -0.55 1.58 0.33 1.61 2.02 -1.26 -0.90 118.70 121.53 2k2j s GLU 17 Ca 0.00 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 54.57 2k2j s GLU 17 Cb 0.00 -1.35 -0.05 0.00 0.10 0.00 0.00 34.13 32.83 2k2j s GLU 17 CO 0.00 0.11 0.08 -0.51 0.02 0.00 0.00 175.26 174.96 2k2j s LEU 18 N 0.38 2.03 -0.04 1.80 1.43 -0.79 -4.89 118.68 118.60 2k2j s LEU 18 Ca -0.09 -1.46 0.06 0.00 -1.03 0.00 0.00 54.13 51.61 2k2j s LEU 18 Cb -0.13 -0.23 -0.01 0.00 0.03 0.00 0.00 46.19 45.84 2k2j s LEU 18 CO 0.03 -0.72 -0.23 -0.31 0.23 0.00 0.00 176.35 175.35 2k2j s TYR 19 N -3.36 2.17 -0.00 0.29 1.51 -1.17 -1.77 117.35 115.01 2k2j s TYR 19 Ca 0.33 -0.56 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 2k2j s TYR 19 Cb 0.07 -1.42 -0.01 0.00 -0.11 0.00 0.00 41.96 40.49 2k2j s TYR 19 CO 0.15 -0.15 -0.09 -1.64 -1.11 0.00 0.00 175.55 172.72 2k2j s MET 20 N -0.25 0.69 0.20 -0.62 -1.94 -1.26 -1.28 119.30 114.85 2k2j s MET 20 Ca 0.01 -0.36 -0.32 0.00 -1.71 0.00 0.00 55.69 53.30 2k2j s MET 20 Cb -0.12 -0.66 -0.13 0.00 2.01 0.00 0.00 34.83 35.93 2k2j s MET 20 CO 0.02 0.18 1.61 1.87 -0.01 0.00 0.00 175.02 178.68 2k2j n TRP 21 N 2.72 2.49 -3.85 -0.03 -0.00 -0.97 -4.21 117.44 113.60 2k2j n TRP 21 Ca -0.14 0.21 -0.35 0.00 -0.00 0.00 0.00 57.50 57.22 2k2j n TRP 21 Cb 0.57 -2.58 -0.13 0.00 -0.00 0.00 0.00 31.31 29.17 2k2j n TRP 21 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2k2j s ASP 22 N 0.87 5.11 0.00 5.87 1.01 -0.87 -4.83 116.67 123.84 2k2j s ASP 22 Ca 0.75 -2.03 0.18 0.00 0.71 0.00 0.00 52.55 52.15 2k2j s ASP 22 Cb -0.60 -1.77 0.85 0.00 1.01 0.00 0.00 42.92 42.41 2k2j s ASP 22 CO 0.39 -0.49 1.57 -1.54 0.21 0.00 0.00 175.17 175.31 2k2j n SER 23 N 4.50 0.00 0.16 0.27 3.41 -1.26 0.38 113.62 121.08 2k2j n SER 23 Ca -0.01 0.27 -0.12 0.00 -0.26 0.00 0.00 58.87 58.75 2k2j n SER 23 Cb 0.42 -0.40 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 2k2j n SER 23 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2k2j h ILE 24 N 0.00 0.59 -0.02 -1.33 2.04 -1.94 -3.33 117.51 113.52 2k2j h ILE 24 Ca 0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 2k2j h ILE 24 Cb 0.25 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2k2j h ILE 24 CO 0.00 0.12 -0.00 0.47 0.00 0.00 0.00 178.15 178.73 2k2j n ASP 25 N -5.11 2.17 -3.25 1.72 9.92 -1.21 -5.02 116.55 115.76 2k2j n ASP 25 Ca -0.09 -1.59 -0.08 0.00 -0.53 0.00 0.00 54.79 52.50 2k2j n ASP 25 Cb 0.27 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.76 2k2j n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k2j n GLN 26 N 0.79 -1.43 -3.85 -1.24 1.13 0.16 -5.02 117.38 107.92 2k2j n GLN 26 Ca 0.08 1.24 -0.02 0.00 -1.94 0.00 0.00 57.00 56.37 2k2j n GLN 26 Cb 0.35 -5.01 0.01 0.00 0.11 0.00 0.00 30.24 25.70 2k2j n GLN 26 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 2k2j s LYS 27 N -3.67 1.04 -0.15 -1.09 -2.85 -0.96 -5.00 119.74 107.06 2k2j s LYS 27 Ca 0.07 -0.65 -0.06 0.00 -1.00 0.00 0.00 55.97 54.33 2k2j s LYS 27 Cb -0.02 0.30 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 2k2j s LYS 27 CO 0.78 -0.49 0.07 -1.58 0.10 0.00 0.00 175.35 174.24 2k2j s TRP 28 N -2.34 3.31 0.38 1.78 0.52 -1.26 -2.04 118.94 119.29 2k2j s TRP 28 Ca 0.21 0.20 0.07 0.00 0.02 0.00 0.00 56.10 56.60 2k2j s TRP 28 Cb -0.01 -1.99 -0.07 0.00 -1.15 0.00 0.00 33.47 30.24 2k2j s TRP 28 CO 0.03 0.35 -0.00 0.95 0.02 0.00 0.00 176.95 178.30 2k2j s THR 29 N -0.20 1.92 -0.25 2.01 -4.23 -1.26 -5.05 115.64 108.58 2k2j s THR 29 Ca 0.08 -2.04 -0.13 0.00 -1.18 0.00 0.00 61.69 58.42 2k2j s THR 29 Cb -0.12 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 2k2j s THR 29 CO 0.01 -0.04 0.27 -0.60 -0.54 0.00 0.00 174.62 173.71 2k2j s ARG 30 N -3.72 4.04 0.28 3.99 3.52 -1.26 -4.19 118.95 121.61 2k2j s ARG 30 Ca 0.35 -0.12 0.11 0.00 -0.13 0.00 0.00 55.73 55.94 2k2j s ARG 30 Cb 0.08 -3.60 -0.05 0.00 -1.56 0.00 0.00 34.95 29.82 2k2j s ARG 30 CO 0.17 -0.11 -0.18 -1.01 -0.81 0.00 0.00 175.30 173.35 2k2j s HIS 31 N 1.57 2.25 -0.54 5.12 3.76 -0.73 -3.62 115.29 123.11 2k2j s HIS 31 Ca 0.11 -0.37 -0.06 0.00 -0.15 0.00 0.00 55.06 54.59 2k2j s HIS 31 Cb -0.15 -1.02 0.14 0.00 1.11 0.00 0.00 32.58 32.66 2k2j s HIS 31 CO 0.08 0.67 0.37 -0.47 -0.85 0.00 0.00 174.74 174.55 2k2j s TYR 32 N -2.56 3.50 0.50 1.40 5.04 -1.26 -1.89 117.35 122.08 2k2j s TYR 32 Ca 0.30 -2.31 -0.04 0.00 -2.44 0.00 0.00 57.07 52.58 2k2j s TYR 32 Cb -0.04 -3.35 -0.01 0.00 0.35 0.00 0.00 41.96 38.91 2k2j s TYR 32 CO 0.14 -0.94 0.78 0.00 -1.34 0.00 0.00 175.55 174.20 2k2j s ALA 34 N -2.75 -2.86 0.03 0.00 0.00 -1.18 -1.47 121.76 113.53 2k2j s ALA 34 Ca 0.49 1.86 -0.20 0.00 0.00 0.00 0.00 51.96 54.11 2k2j s ALA 34 Cb -0.10 -2.19 -0.06 0.00 0.00 0.00 0.00 23.12 20.77 2k2j s ALA 34 CO 0.42 -1.13 0.59 0.42 0.00 0.00 0.00 175.76 176.07 2k2j s ILE 35 N 2.64 4.83 -0.28 0.00 1.01 -0.16 -2.58 121.20 126.66 2k2j s ILE 35 Ca 0.00 1.26 -0.20 0.00 0.00 0.00 0.00 60.65 61.71 2k2j s ILE 35 Cb -0.08 -3.93 0.12 0.00 0.01 0.00 0.00 42.46 38.58 2k2j s ILE 35 CO -0.16 0.47 0.91 0.00 0.00 0.00 0.00 174.94 176.16 2k2j s ALA 36 N -0.53 -2.04 -1.38 9.38 0.00 0.20 -4.38 121.76 123.00 2k2j s ALA 36 Ca 0.31 2.11 -0.09 0.00 0.00 0.00 0.00 51.96 54.29 2k2j s ALA 36 Cb -0.19 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.45 2k2j s ALA 36 CO 0.18 -0.31 1.11 -0.25 0.00 0.00 0.00 175.76 176.49 2k2j n ASP 37 N 3.19 -5.46 -1.76 0.00 8.00 -1.26 -1.18 116.55 118.08 2k2j n ASP 37 Ca -0.16 -0.61 -0.20 0.00 0.71 0.00 0.00 54.79 54.52 2k2j n ASP 37 Cb 0.57 -4.76 -0.07 0.00 -0.02 0.00 0.00 41.12 36.84 2k2j n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k2j n ALA 38 N -4.84 -0.39 -3.03 2.24 0.00 -1.26 -4.97 120.51 108.27 2k2j n ALA 38 Ca -0.02 0.29 -0.21 0.00 0.00 0.00 0.00 53.44 53.50 2k2j n ALA 38 Cb 0.57 -2.06 -0.16 0.00 0.00 0.00 0.00 19.45 17.80 2k2j n ALA 38 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2k2j s LYS 39 N -4.06 1.04 -0.28 0.00 1.02 -0.33 -4.06 119.74 113.07 2k2j s LYS 39 Ca 0.00 -0.33 -0.07 0.00 0.02 0.00 0.00 55.97 55.59 2k2j s LYS 39 Cb 0.00 -0.96 -0.01 0.00 -0.52 0.00 0.00 37.83 36.35 2k2j s LYS 39 CO 0.00 0.12 0.08 -1.17 -0.92 0.00 0.00 175.35 173.46 2k2j s LEU 40 N 0.19 3.67 -0.26 3.17 2.96 -0.89 -0.63 118.68 126.89 2k2j s LEU 40 Ca -0.03 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 2k2j s LEU 40 Cb -0.09 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.71 2k2j s LEU 40 CO 0.01 -0.13 -0.00 -0.44 -1.32 0.00 0.00 176.35 174.47 2k2j s SER 41 N 1.55 4.62 -0.16 3.68 0.01 -1.06 -0.38 113.70 121.95 2k2j s SER 41 Ca 0.04 -0.67 -0.06 0.00 1.31 0.00 0.00 55.95 56.57 2k2j s SER 41 Cb -0.16 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 2k2j s SER 41 CO 0.03 -0.12 0.06 0.72 0.41 0.00 0.00 173.24 174.34 2k2j s PHE 42 N 1.43 3.27 0.47 2.43 -0.71 -0.78 -3.09 117.98 121.01 2k2j s PHE 42 Ca 0.03 0.14 -0.03 0.00 -1.04 0.00 0.00 56.93 56.02 2k2j s PHE 42 Cb -0.16 -2.01 -0.02 0.00 -1.21 0.00 0.00 43.02 39.62 2k2j s PHE 42 CO -0.02 0.28 0.75 -1.54 -1.34 0.00 0.00 175.22 173.35 2k2j s SER 43 N -0.04 6.07 1.02 1.98 1.04 -1.04 -1.06 113.70 121.67 2k2j s SER 43 Ca 0.06 0.70 -0.12 0.00 0.48 0.00 0.00 55.95 57.08 2k2j s SER 43 Cb -0.12 -1.99 0.20 0.00 0.10 0.00 0.00 66.02 64.21 2k2j s SER 43 CO 0.01 -0.64 1.08 1.51 0.98 0.00 0.00 173.24 176.18 2k2j s ASP 44 N -4.15 2.25 0.33 7.02 -4.77 -1.06 -4.07 116.67 112.22 2k2j s ASP 44 Ca 0.47 1.68 -0.25 0.00 -3.30 0.00 0.00 52.55 51.15 2k2j s ASP 44 Cb -0.10 -2.32 -0.14 0.00 -1.09 0.00 0.00 42.92 39.27 2k2j s ASP 44 CO 0.42 -3.44 0.68 0.47 0.70 0.00 0.00 175.17 174.01 2k2j n ASP 45 N -4.42 -0.30 -0.07 2.11 8.00 -1.26 -4.65 116.55 115.96 2k2j n ASP 45 Ca 0.07 1.05 -0.05 0.00 0.71 0.00 0.00 54.79 56.56 2k2j n ASP 45 Cb 0.54 -1.13 -0.14 0.00 -0.02 0.00 0.00 41.12 40.38 2k2j n ASP 45 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2k2j n ILE 46 N -0.31 0.94 0.00 0.53 -5.35 -1.24 -4.45 119.36 109.48 2k2j n ILE 46 Ca 0.12 -0.66 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 2k2j n ILE 46 Cb 0.34 -0.42 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 2k2j n ILE 46 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2k2j n GLU 47 N -2.53 2.76 0.26 6.28 0.28 -1.26 -4.83 120.64 121.59 2k2j n GLU 47 Ca -0.23 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.66 2k2j n GLU 47 Cb 0.94 -0.97 -0.05 0.00 1.43 0.00 0.00 31.44 32.79 2k2j n GLU 47 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 2k2j h GLN 48 N 0.00 -0.69 -4.42 3.44 5.75 -1.89 -3.50 115.11 113.81 2k2j h GLN 48 Ca 0.00 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 2k2j h GLN 48 Cb 0.94 0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.64 2k2j h GLN 48 CO 0.00 -0.46 -0.68 0.25 -2.65 0.00 0.00 178.83 175.30 2k2j n THR 49 N -5.11 -9.30 1.16 2.39 -2.24 -1.26 -4.88 114.28 95.03 2k2j n THR 49 Ca -0.09 2.23 0.13 0.00 -2.27 0.00 0.00 64.05 64.05 2k2j n THR 49 Cb 0.28 -4.54 0.33 0.00 -2.10 0.00 0.00 70.33 64.30 2k2j n THR 49 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2k2j n MET 50 N 1.89 1.98 -2.85 -0.78 0.00 -1.26 -4.91 117.12 111.20 2k2j n MET 50 Ca 0.00 -1.44 -0.40 0.00 0.00 0.00 0.00 57.70 55.86 2k2j n MET 50 Cb 0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 33.22 31.70 2k2j n MET 50 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2k2j s GLU 51 N -1.91 4.69 0.01 0.03 2.02 -1.26 -5.00 118.70 117.28 2k2j s GLU 51 Ca 0.34 1.33 -0.09 0.00 0.02 0.00 0.00 54.97 56.57 2k2j s GLU 51 Cb 0.20 -3.31 -0.05 0.00 0.10 0.00 0.00 34.13 31.08 2k2j s GLU 51 CO 0.31 0.44 0.91 1.49 0.02 0.00 0.00 175.26 178.43 2k2j h GLU 52 N 4.70 -0.30 -0.19 1.61 4.81 -2.02 -3.36 114.58 119.82 2k2j h GLU 52 Ca -0.45 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2k2j h GLU 52 Cb 1.20 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2k2j h GLU 52 CO 0.69 -0.20 0.00 -0.25 -0.73 0.00 0.00 179.01 178.52 2k2j n ASP 53 N -3.02 2.90 -3.23 1.04 8.00 -1.26 -5.01 116.55 115.97 2k2j n ASP 53 Ca -0.04 -2.45 -0.07 0.00 0.71 0.00 0.00 54.79 52.93 2k2j n ASP 53 Cb 0.12 -0.30 0.01 0.00 -0.02 0.00 0.00 41.12 40.93 2k2j n ASP 53 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2k2j n ASN 54 N -0.29 -7.07 -0.09 -2.24 5.15 -1.26 -4.93 115.26 104.53 2k2j n ASN 54 Ca 0.12 -0.34 -0.12 0.00 -0.60 0.00 0.00 54.58 53.65 2k2j n ASN 54 Cb 0.55 -4.62 0.01 0.00 -0.53 0.00 0.00 39.78 35.19 2k2j n ASN 54 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2k2j h PRO 55 N 0.03 0.86 -0.74 1.20 0.11 -1.95 -3.43 132.00 128.07 2k2j h PRO 55 Ca -0.21 -0.45 0.11 0.00 0.11 0.00 0.00 66.00 65.57 2k2j h PRO 55 Cb 1.12 0.02 -0.20 0.00 0.11 0.00 0.00 31.00 32.04 2k2j h PRO 55 CO 0.34 1.09 -0.20 -1.17 -0.21 0.00 0.00 178.00 177.85 2k2j s LEU 56 N -8.80 -1.15 -0.75 2.35 0.20 -1.26 -5.10 118.68 104.18 2k2j s LEU 56 Ca -0.10 0.32 0.02 0.00 0.69 0.00 0.00 54.13 55.06 2k2j s LEU 56 Cb 0.11 1.80 0.18 0.00 -0.43 0.00 0.00 46.19 47.86 2k2j s LEU 56 CO 0.87 -0.21 0.57 -0.83 -0.29 0.00 0.00 176.35 176.45 2k2j s GLY 57 N 2.88 2.91 0.48 7.98 0.00 -1.26 -5.08 107.32 115.22 2k2j s GLY 57 Ca 0.15 -3.74 -0.24 0.00 0.00 0.00 0.00 44.72 40.89 2k2j s GLY 57 CO -0.22 1.11 1.35 -1.35 0.00 0.00 0.00 173.10 173.99 2k2j s SER 58 N -0.71 5.76 0.00 1.64 1.04 -1.26 -4.98 113.70 115.19 2k2j s SER 58 Ca 0.24 2.74 0.00 0.00 0.48 0.00 0.00 55.95 59.41 2k2j s SER 58 Cb -0.09 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2k2j s SER 58 CO -0.12 -1.24 0.63 -0.11 0.98 0.00 0.00 173.24 173.38 2k2j n LEU 59 N -0.49 0.00 -4.54 2.42 0.00 -1.26 -4.37 117.00 108.76 2k2j n LEU 59 Ca 0.07 0.63 -0.39 0.00 0.00 0.00 0.00 56.01 56.32 2k2j n LEU 59 Cb 0.44 -0.13 -0.05 0.00 0.00 0.00 0.00 43.42 43.68 2k2j n LEU 59 CO 0.55 -0.13 2.01 0.00 0.00 0.00 0.00 177.39 179.82 2k2j h ARG 61 N 17.39 0.34 -2.72 0.00 9.65 -1.31 -3.48 114.38 134.26 2k2j h ARG 61 Ca -0.24 -0.59 0.09 0.00 -1.10 0.00 0.00 59.98 58.14 2k2j h ARG 61 Cb 1.28 0.22 -0.09 0.00 -1.39 0.00 0.00 29.97 29.99 2k2j h ARG 61 CO 1.15 1.25 0.33 0.20 2.80 0.00 0.00 179.97 185.70 2k2j s GLY 62 N -4.81 -0.29 -0.02 2.80 0.00 -1.05 -5.02 107.32 98.93 2k2j s GLY 62 Ca -0.08 0.16 -0.02 0.00 0.00 0.00 0.00 44.72 44.78 2k2j s GLY 62 CO 0.88 0.05 0.06 -0.42 0.00 0.00 0.00 173.10 173.67 2k2j s ILE 63 N -3.60 -0.00 -0.37 0.90 1.01 -1.26 -1.87 121.20 116.00 2k2j s ILE 63 Ca 0.08 0.02 -0.08 0.00 0.00 0.00 0.00 60.65 60.67 2k2j s ILE 63 Cb -0.03 -0.09 0.05 0.00 0.01 0.00 0.00 42.46 42.40 2k2j s ILE 63 CO -0.01 0.01 0.18 -0.76 0.00 0.00 0.00 174.94 174.36 2k2j s LEU 64 N 0.11 4.70 0.64 2.97 2.01 0.48 -4.92 118.68 124.68 2k2j s LEU 64 Ca -0.01 -1.26 0.33 0.00 0.01 0.00 0.00 54.13 53.20 2k2j s LEU 64 Cb -0.01 -1.94 1.81 0.00 0.01 0.00 0.00 46.19 46.06 2k2j s LEU 64 CO -0.00 -0.41 2.08 -0.78 1.01 0.00 0.00 176.35 178.24 2k2j h ASP 65 N 8.32 0.00 0.00 2.29 1.82 -1.88 -2.37 116.42 124.59 2k2j h ASP 65 Ca -0.23 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 2k2j h ASP 65 Cb 1.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.09 2k2j h ASP 65 CO 0.67 0.00 0.00 0.18 -1.61 0.00 0.00 179.24 178.48 2k2j n LEU 66 N -3.27 0.94 -0.16 2.28 4.77 -1.26 -4.55 117.00 115.74 2k2j n LEU 66 Ca -0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.03 2k2j n LEU 66 Cb 0.32 -2.36 -0.03 0.00 -2.33 0.00 0.00 43.42 39.02 2k2j n LEU 66 CO 0.20 -0.93 0.13 0.59 -1.33 0.00 0.00 177.39 176.05 2k2j n ASN 67 N -0.93 1.03 -2.83 -1.43 5.03 -1.26 -4.08 115.26 110.80 2k2j n ASN 67 Ca 0.00 -1.02 -0.12 0.00 0.87 0.00 0.00 54.58 54.31 2k2j n ASN 67 Cb 0.46 0.69 0.01 0.00 -1.02 0.00 0.00 39.78 39.92 2k2j n ASN 67 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2k2j n THR 68 N -0.64 0.67 -3.98 3.41 -2.24 -1.26 -4.99 114.28 105.24 2k2j n THR 68 Ca 0.04 -3.59 -0.09 0.00 -2.27 0.00 0.00 64.05 58.13 2k2j n THR 68 Cb 0.23 0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.72 2k2j n THR 68 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2k2j s TYR 69 N -2.91 0.35 -0.02 4.78 2.02 -1.26 -0.78 117.35 119.52 2k2j s TYR 69 Ca 0.32 -0.71 0.01 0.00 -0.37 0.00 0.00 57.07 56.31 2k2j s TYR 69 Cb 0.42 0.17 0.02 0.00 -0.40 0.00 0.00 41.96 42.17 2k2j s TYR 69 CO -0.00 -0.96 -0.00 -0.80 -1.57 0.00 0.00 175.55 172.21 2k2j s ASN 70 N -3.01 0.39 -0.12 2.29 0.01 0.83 -4.79 114.94 110.53 2k2j s ASN 70 Ca 0.22 -0.03 -0.13 0.00 -0.71 0.00 0.00 52.86 52.21 2k2j s ASN 70 Cb -0.00 -0.18 -0.05 0.00 0.41 0.00 0.00 41.25 41.43 2k2j s ASN 70 CO 0.08 -0.08 0.29 -0.69 -1.51 0.00 0.00 177.10 175.19 2k2j s VAL 71 N 0.81 5.28 -0.06 1.60 1.01 -1.26 -0.21 120.40 127.58 2k2j s VAL 71 Ca -0.08 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 2k2j s VAL 71 Cb -0.11 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2k2j s VAL 71 CO -0.01 0.47 0.01 0.68 0.00 0.00 0.00 175.10 176.25 2k2j s VAL 72 N -0.12 0.25 -0.55 2.92 -7.23 -0.62 -4.98 120.40 110.07 2k2j s VAL 72 Ca 0.18 0.19 -0.28 0.00 -1.81 0.00 0.00 61.98 60.26 2k2j s VAL 72 Cb -0.14 -0.42 0.00 0.00 0.56 0.00 0.00 36.38 36.39 2k2j s VAL 72 CO 0.06 0.23 1.54 -0.75 -0.31 0.00 0.00 175.10 175.87 2k2j s LYS 73 N 1.93 3.19 -0.19 4.82 2.20 -1.26 -1.45 119.74 128.98 2k2j s LYS 73 Ca 0.04 0.58 -0.29 0.00 -0.36 0.00 0.00 55.97 55.94 2k2j s LYS 73 Cb -0.12 -4.18 -0.00 0.00 -1.51 0.00 0.00 37.83 32.02 2k2j s LYS 73 CO -0.04 -2.07 1.12 0.00 -0.36 0.00 0.00 175.35 173.99 2k2j s ALA 74 N 6.68 3.64 -0.11 3.13 0.00 0.33 -4.95 121.76 130.48 2k2j s ALA 74 Ca 0.58 0.31 -0.22 0.00 0.00 0.00 0.00 51.96 52.63 2k2j s ALA 74 Cb -0.12 -3.56 -0.19 0.00 0.00 0.00 0.00 23.12 19.25 2k2j s ALA 74 CO 0.25 -1.03 0.66 -1.00 0.00 0.00 0.00 175.76 174.64 2k2j h PRO 75 N 7.65 -0.03 -0.10 0.00 0.13 -1.82 -2.92 132.00 134.91 2k2j h PRO 75 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2k2j h PRO 75 Cb 1.09 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2k2j h PRO 75 CO 0.96 0.63 0.00 1.04 -0.23 0.00 0.00 178.00 180.40 2k2j n GLN 76 N -4.71 1.00 0.00 0.86 6.02 -1.26 -4.56 117.38 114.72 2k2j n GLN 76 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 2k2j n GLN 76 Cb 0.33 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.54 2k2j n GLN 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k2j n GLY 77 N 0.45 1.42 2.12 1.08 0.00 -0.98 -4.67 105.19 104.60 2k2j n GLY 77 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2k2j n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k2j n LYS 78 N 12.58 0.00 -3.63 1.61 3.00 -1.26 -4.84 118.16 125.62 2k2j n LYS 78 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 2k2j n LYS 78 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 34.88 2k2j n LYS 78 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2k2j s ASN 79 N -3.52 3.46 -1.00 3.14 0.01 -1.26 -4.82 114.94 110.95 2k2j s ASN 79 Ca 0.00 -1.25 0.00 0.00 -0.71 0.00 0.00 52.86 50.90 2k2j s ASN 79 Cb 0.00 -0.52 0.00 0.00 0.41 0.00 0.00 41.25 41.14 2k2j s ASN 79 CO 0.00 -0.40 0.00 0.00 -1.51 0.00 0.00 177.10 175.19 2k2j n GLN 80 N 5.11 -1.73 -4.34 -0.60 6.02 -1.26 -4.94 117.38 115.65 2k2j n GLN 80 Ca -0.05 0.80 -0.24 0.00 -0.01 0.00 0.00 57.00 57.49 2k2j n GLN 80 Cb 0.44 -5.16 -0.08 0.00 1.02 0.00 0.00 30.24 26.45 2k2j n GLN 80 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2k2j s LYS 81 N -2.72 2.08 -0.07 -1.09 -0.14 -1.26 -5.07 119.74 111.47 2k2j s LYS 81 Ca 0.00 -1.72 -0.04 0.00 -1.36 0.00 0.00 55.97 52.85 2k2j s LYS 81 Cb 0.00 -1.94 -0.03 0.00 -1.68 0.00 0.00 37.83 34.18 2k2j s LYS 81 CO 0.00 0.16 -0.10 0.43 -0.76 0.00 0.00 175.35 175.08 2k2j n SER 82 N -0.94 0.67 -4.38 2.83 7.64 -1.26 -3.92 113.62 114.26 2k2j n SER 82 Ca -0.04 0.11 -0.45 0.00 1.01 0.00 0.00 58.87 59.50 2k2j n SER 82 Cb 0.62 -0.27 -0.07 0.00 -1.01 0.00 0.00 64.21 63.49 2k2j n SER 82 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2k2j s PHE 83 N -2.16 3.18 0.08 1.43 0.08 -1.26 -2.32 117.98 117.01 2k2j s PHE 83 Ca -0.11 -0.92 0.04 0.00 0.12 0.00 0.00 56.93 56.07 2k2j s PHE 83 Cb 0.04 -3.43 -0.03 0.00 -0.57 0.00 0.00 43.02 39.02 2k2j s PHE 83 CO 0.14 -0.93 -0.11 0.08 -0.10 0.00 0.00 175.22 174.30 2k2j s VAL 84 N 1.93 0.94 -0.07 -0.44 1.01 -1.10 -4.03 120.40 118.63 2k2j s VAL 84 Ca 0.07 -1.43 -0.00 0.00 0.00 0.00 0.00 61.98 60.61 2k2j s VAL 84 Cb -0.24 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.03 2k2j s VAL 84 CO 0.07 -0.41 -0.03 -0.36 0.00 0.00 0.00 175.10 174.37 2k2j s PHE 85 N -1.86 0.89 -0.11 5.22 0.40 -1.01 0.12 117.98 121.64 2k2j s PHE 85 Ca 0.00 -0.31 -0.05 0.00 -0.60 0.00 0.00 56.93 55.97 2k2j s PHE 85 Cb -0.07 -0.87 -0.04 0.00 0.51 0.00 0.00 43.02 42.56 2k2j s PHE 85 CO 0.01 -0.33 0.07 0.42 0.70 0.00 0.00 175.22 176.09 2k2j s ILE 86 N 1.60 4.94 -0.19 0.64 1.01 -0.53 -1.50 121.20 127.17 2k2j s ILE 86 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.55 2k2j s ILE 86 Cb -0.13 -3.13 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 2k2j s ILE 86 CO -0.04 0.60 0.12 -0.76 0.00 0.00 0.00 174.94 174.86 2k2j s LEU 87 N -0.88 4.14 -0.27 2.97 1.43 -0.20 -1.60 118.68 124.27 2k2j s LEU 87 Ca 0.14 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 2k2j s LEU 87 Cb -0.12 -2.06 0.05 0.00 0.03 0.00 0.00 46.19 44.09 2k2j s LEU 87 CO 0.03 0.20 -0.07 -1.61 0.23 0.00 0.00 176.35 175.13 2k2j s GLU 88 N 0.23 2.43 0.24 1.70 2.02 0.71 -2.34 118.70 123.69 2k2j s GLU 88 Ca 0.08 -1.24 -0.31 0.00 0.02 0.00 0.00 54.97 53.51 2k2j s GLU 88 Cb -0.11 -3.00 -0.11 0.00 0.10 0.00 0.00 34.13 31.00 2k2j s GLU 88 CO -0.01 -0.55 1.63 -1.25 0.02 0.00 0.00 175.26 175.10 2k2j s PRO 89 N 1.20 4.14 0.00 0.39 0.04 -1.26 -0.12 135.00 139.39 2k2j s PRO 89 Ca -0.06 2.54 0.18 0.00 0.04 0.00 0.00 61.00 63.70 2k2j s PRO 89 Cb -0.19 -3.06 0.72 0.00 0.04 0.00 0.00 34.50 32.01 2k2j s PRO 89 CO -0.04 -0.66 1.51 1.63 0.04 0.00 0.00 177.00 179.48 2k2j n LYS 90 N 3.11 1.54 0.00 4.56 5.02 0.04 -3.45 118.16 128.98 2k2j n LYS 90 Ca 0.12 -0.82 0.13 0.00 -2.02 0.00 0.00 58.31 55.71 2k2j n LYS 90 Cb 0.37 -1.33 0.34 0.00 -0.02 0.00 0.00 35.03 34.39 2k2j n LYS 90 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2k2j n GLN 91 N 0.07 0.44 -1.33 1.97 6.02 -1.26 -5.01 117.38 118.28 2k2j n GLN 91 Ca 0.14 -0.25 0.04 0.00 -0.01 0.00 0.00 57.00 56.92 2k2j n GLN 91 Cb 0.25 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.99 2k2j n GLN 91 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2k2j n GLN 92 N -1.06 -3.38 0.00 -1.09 6.02 -1.22 -4.69 117.38 111.95 2k2j n GLN 92 Ca 0.09 2.66 0.00 0.00 -0.01 0.00 0.00 57.00 59.74 2k2j n GLN 92 Cb 0.34 -3.44 0.00 0.00 1.02 0.00 0.00 30.24 28.16 2k2j n GLN 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k2j n GLY 93 N -2.88 1.80 3.82 1.08 0.00 -1.26 -4.95 105.19 102.80 2k2j n GLY 93 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2k2j n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k2j s ASP 94 N -0.62 5.87 0.39 1.61 1.11 -1.26 -5.05 116.67 118.71 2k2j s ASP 94 Ca 0.00 1.69 -0.14 0.00 0.18 0.00 0.00 52.55 54.28 2k2j s ASP 94 Cb 0.00 -2.51 -0.08 0.00 1.07 0.00 0.00 42.92 41.39 2k2j s ASP 94 CO 0.00 -1.11 0.80 -2.16 1.18 0.00 0.00 175.17 173.88 2k2j s PRO 95 N -4.40 3.93 0.68 8.23 0.04 -1.26 -4.78 135.00 137.45 2k2j s PRO 95 Ca 0.61 0.67 -0.07 0.00 0.04 0.00 0.00 61.00 62.25 2k2j s PRO 95 Cb -0.14 -2.35 0.05 0.00 0.04 0.00 0.00 34.50 32.09 2k2j s PRO 95 CO 0.42 0.01 1.01 -1.25 0.04 0.00 0.00 177.00 177.22 2k2j s PRO 96 N -3.46 2.40 -0.09 0.56 0.04 -1.26 -4.62 135.00 128.57 2k2j s PRO 96 Ca 0.54 -0.11 -0.01 0.00 0.04 0.00 0.00 61.00 61.46 2k2j s PRO 96 Cb -0.10 -2.17 0.03 0.00 0.04 0.00 0.00 34.50 32.30 2k2j s PRO 96 CO 0.24 -1.12 -0.04 0.08 0.04 0.00 0.00 177.00 176.20 2k2j s VAL 97 N -3.22 0.71 0.10 -0.36 1.01 -0.99 -4.95 120.40 112.70 2k2j s VAL 97 Ca 0.59 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.32 2k2j s VAL 97 Cb -0.11 -0.79 -0.06 0.00 0.00 0.00 0.00 36.38 35.42 2k2j s VAL 97 CO 0.46 0.31 0.50 -1.61 0.00 0.00 0.00 175.10 174.76 2k2j s GLU 98 N 1.75 3.96 0.14 2.72 8.01 -1.26 -1.03 118.70 132.98 2k2j s GLU 98 Ca 0.03 0.45 0.05 0.00 0.01 0.00 0.00 54.97 55.52 2k2j s GLU 98 Cb -0.13 -3.03 -0.04 0.00 -4.31 0.00 0.00 34.13 26.63 2k2j s GLU 98 CO -0.06 0.55 -0.12 -0.06 0.01 0.00 0.00 175.26 175.58 2k2j s PHE 99 N -1.35 1.35 0.04 1.61 0.40 -0.56 -2.28 117.98 117.20 2k2j s PHE 99 Ca 0.34 -0.66 -0.25 0.00 -0.60 0.00 0.00 56.93 55.76 2k2j s PHE 99 Cb -0.16 -0.69 0.06 0.00 0.51 0.00 0.00 43.02 42.75 2k2j s PHE 99 CO 0.18 0.14 0.58 0.00 0.70 0.00 0.00 175.22 176.82 2k2j s ALA 100 N -2.84 -1.51 0.10 5.36 0.00 -0.40 -2.40 121.76 120.06 2k2j s ALA 100 Ca 0.14 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.90 2k2j s ALA 100 Cb -0.01 0.37 -0.00 0.00 0.00 0.00 0.00 23.12 23.48 2k2j s ALA 100 CO 0.02 -0.52 0.03 0.25 0.00 0.00 0.00 175.76 175.54 2k2j n THR 101 N 0.40 0.00 -0.12 0.00 -2.24 -1.26 -3.06 114.28 108.00 2k2j n THR 101 Ca -0.18 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2k2j n THR 101 Cb 0.60 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 2k2j n THR 101 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k2j n ASP 102 N -1.69 1.16 -3.87 3.42 9.92 -1.26 -4.94 116.55 119.28 2k2j n ASP 102 Ca -0.02 -1.28 -0.09 0.00 -0.53 0.00 0.00 54.79 52.87 2k2j n ASP 102 Cb 0.15 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.55 2k2j n ASP 102 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2k2j s ARG 103 N -0.28 0.80 0.16 -1.24 0.52 -1.26 -5.05 118.95 112.60 2k2j s ARG 103 Ca 0.00 -0.91 0.08 0.00 -0.52 0.00 0.00 55.73 54.37 2k2j s ARG 103 Cb 0.00 0.32 -0.06 0.00 0.52 0.00 0.00 34.95 35.74 2k2j s ARG 103 CO 0.00 -0.24 1.37 -0.24 0.02 0.00 0.00 175.30 176.20 2k2j h VAL 104 N 2.92 1.64 0.09 3.52 3.04 -1.99 -2.90 116.25 122.57 2k2j h VAL 104 Ca -0.34 -3.06 -0.00 0.00 -1.01 0.00 0.00 66.70 62.29 2k2j h VAL 104 Cb 1.19 2.66 0.00 0.00 -2.01 0.00 0.00 31.29 33.13 2k2j h VAL 104 CO 0.55 0.88 -0.04 -0.33 -1.01 0.00 0.00 177.57 177.61 2k2j h GLU 105 N 0.00 -0.12 -0.05 4.17 5.08 -1.99 -2.69 114.58 118.99 2k2j h GLU 105 Ca -0.01 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2k2j h GLU 105 Cb 1.59 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.86 2k2j h GLU 105 CO 0.12 0.37 0.04 0.93 -1.00 0.00 0.00 179.01 179.47 2k2j h GLU 106 N -0.68 0.00 0.46 2.33 4.39 -1.99 -0.83 114.58 118.26 2k2j h GLU 106 Ca -0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2k2j h GLU 106 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2k2j h GLU 106 CO 0.02 0.00 -0.22 1.25 -1.16 0.00 0.00 179.01 178.90 2k2j h LEU 107 N 0.00 -0.52 -1.49 1.33 5.85 -1.43 -1.83 115.31 117.22 2k2j h LEU 107 Ca 0.02 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 2k2j h LEU 107 Cb 0.11 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2k2j h LEU 107 CO -0.00 -0.15 -0.25 0.15 -0.34 0.00 0.00 178.44 177.84 2k2j h PHE 108 N -0.95 0.00 0.31 1.25 3.57 -1.14 -1.15 116.94 118.83 2k2j h PHE 108 Ca -0.06 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 2k2j h PHE 108 Cb 0.58 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.32 2k2j h PHE 108 CO 0.01 0.25 -0.15 1.49 -2.23 0.00 0.00 178.31 177.69 2k2j h GLU 109 N 0.00 -0.40 -0.04 1.11 4.57 -1.14 -2.39 114.58 116.29 2k2j h GLU 109 Ca -0.00 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2k2j h GLU 109 Cb 0.54 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2k2j h GLU 109 CO 0.03 -0.15 -0.02 -1.49 -1.18 0.00 0.00 179.01 176.21 2k2j h TRP 110 N -1.04 0.10 -0.33 0.92 4.06 -1.36 -2.84 115.95 115.45 2k2j h TRP 110 Ca -0.04 -0.02 -0.10 0.00 2.06 0.00 0.00 58.89 60.78 2k2j h TRP 110 Cb 0.43 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 2k2j h TRP 110 CO 0.03 0.48 -0.22 0.74 -3.56 0.00 0.00 178.44 175.90 2k2j h PHE 111 N -0.31 0.71 -0.25 0.49 0.04 -1.38 -1.47 116.94 114.78 2k2j h PHE 111 Ca 0.01 -0.15 -0.07 0.00 2.80 0.00 0.00 57.97 60.56 2k2j h PHE 111 Cb 0.45 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2k2j h PHE 111 CO 0.07 0.80 -0.14 0.37 -0.60 0.00 0.00 178.31 178.81 2k2j h GLN 112 N 0.56 0.43 -0.20 1.51 -0.00 -1.48 -1.21 115.11 114.72 2k2j h GLN 112 Ca 0.08 -0.12 -0.06 0.00 -0.00 0.00 0.00 58.65 58.55 2k2j h GLN 112 Cb 0.68 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 28.11 2k2j h GLN 112 CO 0.05 0.56 -0.11 0.77 0.00 0.00 0.00 178.83 180.10 2k2j h SER 113 N 0.40 0.45 -0.66 -0.69 0.02 -1.20 0.18 113.55 112.05 2k2j h SER 113 Ca 0.07 -0.42 0.06 0.00 -0.84 0.00 0.00 61.79 60.66 2k2j h SER 113 Cb 0.48 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 2k2j h SER 113 CO 0.03 0.77 0.43 0.40 -1.14 0.00 0.00 176.83 177.33 2k2j h ILE 114 N 0.13 1.02 0.00 3.27 2.04 -0.96 0.24 117.51 123.25 2k2j h ILE 114 Ca 0.04 -0.23 -0.16 0.00 1.00 0.00 0.00 64.86 65.51 2k2j h ILE 114 Cb 0.61 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2k2j h ILE 114 CO 0.03 0.12 -0.74 0.03 0.00 0.00 0.00 178.15 177.60 2k2j h ARG 115 N 0.68 0.00 0.00 2.37 3.08 -0.98 -2.38 114.38 117.14 2k2j h ARG 115 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2k2j h ARG 115 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2k2j h ARG 115 CO -0.09 0.74 0.00 0.93 -1.07 0.00 0.00 179.97 180.48 2k2j h GLU 116 N 0.00 0.00 0.00 0.04 4.39 0.15 0.48 114.58 119.64 2k2j h GLU 116 Ca -0.01 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.47 2k2j h GLU 116 Cb 1.39 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.00 2k2j h GLU 116 CO 0.10 0.00 -1.82 -0.89 -1.16 0.00 0.00 179.01 175.24 2k2j n ILE 117 N -2.91 0.82 -0.08 3.13 5.41 -1.11 -4.33 119.36 120.29 2k2j n ILE 117 Ca -0.02 -0.48 -0.07 0.00 1.00 0.00 0.00 62.75 63.17 2k2j n ILE 117 Cb 0.13 -0.72 -0.02 0.00 -0.71 0.00 0.00 39.64 38.31 2k2j n ILE 117 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2k2j n THR 118 N -2.50 1.26 0.26 1.39 -2.24 -0.90 -4.50 114.28 107.05 2k2j n THR 118 Ca -0.20 0.20 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 2k2j n THR 118 Cb 0.87 -2.21 0.86 0.00 -2.10 0.00 0.00 70.33 67.75 2k2j n THR 118 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 2k2j h TRP 119 N -0.84 0.00 -4.13 4.78 2.91 -0.43 -3.41 115.95 114.83 2k2j h TRP 119 Ca 0.00 0.00 -0.69 0.00 1.13 0.00 0.00 58.89 59.33 2k2j h TRP 119 Cb 0.83 0.00 -0.24 0.00 -0.51 0.00 0.00 29.16 29.23 2k2j h TRP 119 CO -0.36 0.00 -0.81 0.15 -1.03 0.00 0.00 178.44 176.40 2k2j s LYS 120 N -4.69 2.28 -0.40 2.65 -0.14 0.88 -4.99 119.74 115.34 2k2j s LYS 120 Ca -0.05 -0.83 -0.00 0.00 -1.36 0.00 0.00 55.97 53.72 2k2j s LYS 120 Cb 0.15 -2.25 0.11 0.00 -1.68 0.00 0.00 37.83 34.16 2k2j s LYS 120 CO 0.57 0.58 0.16 0.42 -0.76 0.00 0.00 175.35 176.32 2k2j s ILE 121 N -0.77 2.92 -0.51 2.17 1.09 -1.26 -4.28 121.20 120.56 2k2j s ILE 121 Ca 0.12 -2.23 -0.24 0.00 -1.10 0.00 0.00 60.65 57.20 2k2j s ILE 121 Cb -0.10 -3.05 0.04 0.00 -1.06 0.00 0.00 42.46 38.28 2k2j s ILE 121 CO 0.02 -0.67 0.92 -1.81 -0.10 0.00 0.00 174.94 173.30 2k2j s ASP 122 N 1.39 6.39 0.16 3.58 1.01 -1.26 -4.99 116.67 122.96 2k2j s ASP 122 Ca 0.10 -0.19 -0.23 0.00 0.71 0.00 0.00 52.55 52.94 2k2j s ASP 122 Cb -0.21 -2.44 0.07 0.00 1.01 0.00 0.00 42.92 41.35 2k2j s ASP 122 CO -0.05 -1.15 0.60 0.28 0.21 0.00 0.00 175.17 175.06 2k2j s THR 123 N 3.83 0.00 0.00 -1.27 -1.32 -1.26 -5.22 115.64 110.40 2k2j s THR 123 Ca 0.32 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 2k2j s THR 123 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2k2j s THR 123 CO 0.22 -0.01 0.00 2.29 -2.21 0.00 0.00 174.62 174.91