#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 -4.58 -0.02 1.97 5.02 -1.26 -4.91 118.16 114.37 2k2j n LYS 9 Ca 0.00 3.45 -0.11 0.00 -2.02 0.00 0.00 58.31 59.64 2k2j n LYS 9 Cb 0.00 -5.04 0.04 0.00 -0.02 0.00 0.00 35.03 30.00 2k2j n LYS 9 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2k2j h ASP 10 N 4.13 0.72 -3.24 4.39 5.19 -2.14 -3.41 116.42 122.06 2k2j h ASP 10 Ca -0.56 -0.37 -0.51 0.00 -0.62 0.00 0.00 57.03 54.97 2k2j h ASP 10 Cb 1.27 -0.20 -0.40 0.00 0.18 0.00 0.00 39.33 40.17 2k2j h ASP 10 CO 0.01 1.11 -0.76 -1.61 -3.12 0.00 0.00 179.24 174.87 2k2j s GLU 11 N -4.08 0.56 -0.25 3.56 2.02 -1.26 -5.09 118.70 114.16 2k2j s GLU 11 Ca -0.08 -0.37 -0.02 0.00 0.02 0.00 0.00 54.97 54.52 2k2j s GLU 11 Cb 0.11 -2.06 0.13 0.00 0.10 0.00 0.00 34.13 32.42 2k2j s GLU 11 CO 0.85 -0.64 0.36 -1.58 0.02 0.00 0.00 175.26 174.27 2k2j s HIS 12 N 1.90 -0.76 -0.11 1.61 2.46 -1.26 -5.15 115.29 113.99 2k2j s HIS 12 Ca -0.00 0.61 -0.05 0.00 0.47 0.00 0.00 55.06 56.08 2k2j s HIS 12 Cb -0.17 -0.09 -0.04 0.00 -0.13 0.00 0.00 32.58 32.15 2k2j s HIS 12 CO -0.08 -0.76 0.08 0.21 -2.47 0.00 0.00 174.74 171.72 2k2j s LYS 13 N 2.50 3.29 -0.33 2.88 2.20 -1.26 -5.08 119.74 123.94 2k2j s LYS 13 Ca 0.11 -0.25 -0.14 0.00 -0.36 0.00 0.00 55.97 55.33 2k2j s LYS 13 Cb -0.15 -3.03 -0.02 0.00 -1.51 0.00 0.00 37.83 33.12 2k2j s LYS 13 CO -0.19 0.72 0.31 -1.14 -0.36 0.00 0.00 175.35 174.69 2k2j s GLN 14 N -0.88 3.58 0.00 4.03 2.00 -1.26 -5.06 119.66 122.08 2k2j s GLN 14 Ca 0.14 -0.47 0.00 0.00 -2.00 0.00 0.00 55.36 53.02 2k2j s GLN 14 Cb -0.12 -3.79 -0.00 0.00 0.80 0.00 0.00 33.01 29.90 2k2j s GLN 14 CO 0.03 -0.46 -0.01 -0.65 -0.50 0.00 0.00 175.29 173.70 2k2j s GLN 15 N 1.90 0.08 0.00 1.67 -0.21 -1.26 -2.21 119.66 119.62 2k2j s GLN 15 Ca 0.10 -0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.34 2k2j s GLN 15 Cb -0.17 0.02 0.00 0.00 1.00 0.00 0.00 33.01 33.86 2k2j s GLN 15 CO 0.11 -0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.68 2k2j n GLY 16 N 2.75 -0.52 3.19 3.09 0.00 -0.72 -5.00 105.19 107.97 2k2j n GLY 16 Ca -0.15 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.89 0.12 1.61 2.02 -1.26 -0.99 118.70 121.09 2k2j s GLU 17 Ca 0.00 -1.36 -0.25 0.00 0.02 0.00 0.00 54.97 53.38 2k2j s GLU 17 Cb 0.00 -0.30 0.08 0.00 0.10 0.00 0.00 34.13 34.01 2k2j s GLU 17 CO 0.00 0.00 0.65 -0.51 0.02 0.00 0.00 175.26 175.42 2k2j s LEU 18 N -3.07 -0.55 -0.11 1.80 1.43 -0.51 -4.79 118.68 112.88 2k2j s LEU 18 Ca 0.13 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2k2j s LEU 18 Cb 0.05 2.51 -0.03 0.00 0.03 0.00 0.00 46.19 48.74 2k2j s LEU 18 CO -0.04 -0.88 -0.05 -0.31 0.23 0.00 0.00 176.35 175.30 2k2j s TYR 19 N -3.42 3.00 -0.01 0.29 1.51 -1.19 -1.72 117.35 115.81 2k2j s TYR 19 Ca 0.01 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 2k2j s TYR 19 Cb -0.01 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 2k2j s TYR 19 CO -0.10 0.18 -0.10 -1.64 -1.11 0.00 0.00 175.55 172.77 2k2j s MET 20 N -0.28 0.82 -0.35 -0.62 -1.94 -1.25 -1.56 119.30 114.12 2k2j s MET 20 Ca 0.05 -0.36 -0.31 0.00 -1.71 0.00 0.00 55.69 53.36 2k2j s MET 20 Cb -0.13 -0.79 -0.09 0.00 2.01 0.00 0.00 34.83 35.83 2k2j s MET 20 CO 0.02 0.21 2.26 1.87 -0.01 0.00 0.00 175.02 179.38 2k2j n TRP 21 N 2.84 1.66 -2.51 -0.03 -0.00 -0.98 -4.36 117.44 114.06 2k2j n TRP 21 Ca -0.14 0.11 -0.41 0.00 -0.00 0.00 0.00 57.50 57.06 2k2j n TRP 21 Cb 0.56 -2.61 -0.03 0.00 -0.00 0.00 0.00 31.31 29.23 2k2j n TRP 21 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 2k2j s ASP 22 N 8.48 6.10 0.00 5.87 2.15 -0.81 -4.83 116.67 133.63 2k2j s ASP 22 Ca 1.06 -0.45 0.21 0.00 0.43 0.00 0.00 52.55 53.80 2k2j s ASP 22 Cb -0.58 -2.56 1.23 0.00 -0.30 0.00 0.00 42.92 40.71 2k2j s ASP 22 CO 0.41 -1.87 1.62 -1.20 -0.17 0.00 0.00 175.17 173.95 2k2j n SER 23 N 9.66 0.00 -0.05 -0.34 7.64 -1.26 0.22 113.62 129.48 2k2j n SER 23 Ca 0.06 -0.67 -0.03 0.00 1.01 0.00 0.00 58.87 59.25 2k2j n SER 23 Cb 0.49 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 2k2j n SER 23 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2k2j h ILE 24 N 0.00 0.00 -0.01 0.44 2.04 -1.95 -3.39 117.51 114.63 2k2j h ILE 24 Ca 0.00 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.06 2k2j h ILE 24 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 2k2j h ILE 24 CO 0.00 0.00 -0.39 0.47 0.00 0.00 0.00 178.15 178.23 2k2j n ASP 25 N -4.15 1.32 -3.08 1.72 9.92 -1.24 -5.00 116.55 116.04 2k2j n ASP 25 Ca -0.05 -1.06 -0.05 0.00 -0.53 0.00 0.00 54.79 53.10 2k2j n ASP 25 Cb 0.17 0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 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 -0.55 -1.63 -3.68 -1.24 3.00 0.13 -5.04 117.38 108.38 2k2j n GLN 26 Ca 0.10 1.60 -0.01 0.00 -0.01 0.00 0.00 57.00 58.68 2k2j n GLN 26 Cb 0.39 -5.34 -0.01 0.00 0.00 0.00 0.00 30.24 25.27 2k2j n GLN 26 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2k2j s LYS 27 N -3.04 0.77 -0.14 -1.09 -2.85 -1.09 -4.99 119.74 107.31 2k2j s LYS 27 Ca 0.08 -0.42 -0.12 0.00 -1.00 0.00 0.00 55.97 54.50 2k2j s LYS 27 Cb -0.02 0.27 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 2k2j s LYS 27 CO 0.77 -0.35 0.26 -1.58 0.10 0.00 0.00 175.35 174.55 2k2j s TRP 28 N -2.84 3.51 0.14 1.78 0.52 -1.26 -1.93 118.94 118.87 2k2j s TRP 28 Ca 0.13 0.60 0.01 0.00 0.02 0.00 0.00 56.10 56.86 2k2j s TRP 28 Cb 0.02 -2.24 -0.04 0.00 -1.15 0.00 0.00 33.47 30.05 2k2j s TRP 28 CO -0.01 0.39 -0.01 0.95 0.02 0.00 0.00 176.95 178.29 2k2j s THR 29 N -0.01 0.58 -0.16 2.01 -4.23 -1.26 -5.04 115.64 107.53 2k2j s THR 29 Ca 0.16 -1.95 -0.15 0.00 -1.18 0.00 0.00 61.69 58.57 2k2j s THR 29 Cb -0.13 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 2k2j s THR 29 CO 0.04 -0.59 0.34 -0.60 -0.54 0.00 0.00 174.62 173.27 2k2j s ARG 30 N -3.91 4.26 0.16 3.99 3.52 -1.26 -3.96 118.95 121.75 2k2j s ARG 30 Ca 0.20 0.17 0.07 0.00 -0.13 0.00 0.00 55.73 56.04 2k2j s ARG 30 Cb 0.06 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 2k2j s ARG 30 CO 0.01 0.18 -0.15 -1.01 -0.81 0.00 0.00 175.30 173.52 2k2j s HIS 31 N 0.62 1.59 -0.56 5.12 3.76 -0.70 -3.77 115.29 121.35 2k2j s HIS 31 Ca 0.18 -0.56 -0.17 0.00 -0.15 0.00 0.00 55.06 54.37 2k2j s HIS 31 Cb -0.14 -0.79 0.12 0.00 1.11 0.00 0.00 32.58 32.88 2k2j s HIS 31 CO 0.06 0.25 0.58 -0.47 -0.85 0.00 0.00 174.74 174.30 2k2j s TYR 32 N -2.46 3.15 0.43 1.40 5.04 -1.26 -1.43 117.35 122.23 2k2j s TYR 32 Ca 0.15 -1.16 -0.00 0.00 -2.44 0.00 0.00 57.07 53.63 2k2j s TYR 32 Cb -0.03 -3.87 -0.01 0.00 0.35 0.00 0.00 41.96 38.39 2k2j s TYR 32 CO 0.05 -1.12 0.65 0.00 -1.34 0.00 0.00 175.55 173.79 2k2j s ALA 34 N -2.52 -2.50 -0.19 0.00 0.00 -0.82 -1.75 121.76 113.98 2k2j s ALA 34 Ca 0.46 2.13 -0.21 0.00 0.00 0.00 0.00 51.96 54.35 2k2j s ALA 34 Cb -0.10 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.09 2k2j s ALA 34 CO 0.38 -0.75 0.65 0.42 0.00 0.00 0.00 175.76 176.46 2k2j s ILE 35 N 2.11 5.01 -0.11 0.00 1.01 -0.94 -1.69 121.20 126.60 2k2j s ILE 35 Ca -0.05 1.22 -0.09 0.00 0.00 0.00 0.00 60.65 61.73 2k2j s ILE 35 Cb -0.06 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.48 2k2j s ILE 35 CO -0.17 0.11 0.29 0.00 0.00 0.00 0.00 174.94 175.17 2k2j s ALA 36 N 1.91 -0.71 -1.31 9.38 0.00 0.60 -4.60 121.76 127.03 2k2j s ALA 36 Ca 0.29 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 53.07 2k2j s ALA 36 Cb -0.16 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.46 2k2j s ALA 36 CO 0.11 -0.15 1.02 -0.25 0.00 0.00 0.00 175.76 176.49 2k2j n ASP 37 N 3.12 -3.79 -0.81 0.00 8.00 -1.26 -1.15 116.55 120.67 2k2j n ASP 37 Ca -0.15 -0.64 -0.11 0.00 0.71 0.00 0.00 54.79 54.61 2k2j n ASP 37 Cb 0.57 -4.78 -0.05 0.00 -0.02 0.00 0.00 41.12 36.85 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 -4.53 -0.16 -2.57 2.24 0.00 -1.26 -4.94 120.51 109.28 2k2j n ALA 38 Ca -0.14 0.17 -0.26 0.00 0.00 0.00 0.00 53.44 53.21 2k2j n ALA 38 Cb 0.61 -1.73 -0.10 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.85 1.87 -0.13 0.00 1.02 -0.30 -4.32 119.74 115.03 2k2j s LYS 39 Ca 0.00 -2.08 -0.01 0.00 0.02 0.00 0.00 55.97 53.90 2k2j s LYS 39 Cb 0.00 -1.26 0.03 0.00 -0.52 0.00 0.00 37.83 36.08 2k2j s LYS 39 CO 0.00 -0.17 -0.04 -1.17 -0.92 0.00 0.00 175.35 173.05 2k2j s LEU 40 N -3.64 1.22 -0.20 3.17 2.96 -0.89 -0.29 118.68 121.01 2k2j s LEU 40 Ca 0.31 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 2k2j s LEU 40 Cb 0.08 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 2k2j s LEU 40 CO 0.15 -0.17 0.04 -0.94 -1.32 0.00 0.00 176.35 174.11 2k2j s SER 41 N 1.75 5.25 -0.11 3.68 1.04 -0.68 -0.53 113.70 124.09 2k2j s SER 41 Ca 0.03 -0.08 -0.01 0.00 0.48 0.00 0.00 55.95 56.38 2k2j s SER 41 Cb -0.14 -1.91 -0.02 0.00 0.10 0.00 0.00 66.02 64.05 2k2j s SER 41 CO -0.07 0.09 -0.08 0.72 0.98 0.00 0.00 173.24 174.88 2k2j s PHE 42 N 0.83 2.90 0.79 5.02 -0.71 -0.50 -1.94 117.98 124.37 2k2j s PHE 42 Ca 0.02 -0.30 -0.06 0.00 -1.04 0.00 0.00 56.93 55.56 2k2j s PHE 42 Cb -0.14 -1.82 0.14 0.00 -1.21 0.00 0.00 43.02 39.99 2k2j s PHE 42 CO 0.02 0.04 1.09 -1.54 -1.34 0.00 0.00 175.22 173.49 2k2j s SER 43 N -0.08 4.04 0.63 1.98 1.04 -0.94 -1.86 113.70 118.51 2k2j s SER 43 Ca -0.00 -0.11 -0.07 0.00 0.48 0.00 0.00 55.95 56.25 2k2j s SER 43 Cb -0.13 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.81 2k2j s SER 43 CO 0.03 -2.09 0.95 1.51 0.98 0.00 0.00 173.24 174.62 2k2j s ASP 44 N -4.76 5.42 -0.42 7.02 -4.77 -1.26 -4.41 116.67 113.48 2k2j s ASP 44 Ca 0.68 0.71 -0.43 0.00 -3.30 0.00 0.00 52.55 50.20 2k2j s ASP 44 Cb -0.05 -1.61 -0.18 0.00 -1.09 0.00 0.00 42.92 39.99 2k2j s ASP 44 CO 0.47 -1.20 1.81 0.47 0.70 0.00 0.00 175.17 177.41 2k2j n ASP 45 N -2.70 1.55 0.06 2.11 9.92 -1.26 -4.63 116.55 121.60 2k2j n ASP 45 Ca 0.05 0.98 -0.17 0.00 -0.53 0.00 0.00 54.79 55.12 2k2j n ASP 45 Cb 0.58 -1.00 -0.14 0.00 -0.64 0.00 0.00 41.12 39.92 2k2j n ASP 45 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 2k2j h ILE 46 N 5.68 1.07 0.00 0.53 3.07 -1.92 -3.34 117.51 122.59 2k2j h ILE 46 Ca -0.36 -2.72 -0.06 0.00 1.55 0.00 0.00 64.86 63.27 2k2j h ILE 46 Cb 1.36 2.72 -0.01 0.00 -0.27 0.00 0.00 36.82 40.62 2k2j h ILE 46 CO 1.00 0.81 -1.28 -1.84 -1.05 0.00 0.00 178.15 175.79 2k2j n GLU 47 N -3.45 2.53 -0.76 0.16 0.28 -1.26 -4.60 120.64 113.54 2k2j n GLU 47 Ca -0.18 -0.01 -0.15 0.00 -0.16 0.00 0.00 57.16 56.65 2k2j n GLU 47 Cb 1.05 -1.11 0.10 0.00 1.43 0.00 0.00 31.44 32.91 2k2j n GLU 47 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2k2j n GLN 48 N -2.04 1.77 -1.61 3.44 1.13 -1.26 -4.96 117.38 113.85 2k2j n GLN 48 Ca -0.06 -1.82 -0.55 0.00 -1.94 0.00 0.00 57.00 52.63 2k2j n GLN 48 Cb 0.52 -1.71 -0.07 0.00 0.11 0.00 0.00 30.24 29.08 2k2j n GLN 48 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2k2j n THR 49 N -0.45 0.29 1.08 5.09 -2.24 -1.25 -4.82 114.28 111.98 2k2j n THR 49 Ca 0.36 -0.11 0.12 0.00 -2.27 0.00 0.00 64.05 62.15 2k2j n THR 49 Cb 1.16 -1.37 0.29 0.00 -2.10 0.00 0.00 70.33 68.32 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 6.44 2.06 -2.40 -0.78 2.81 -1.26 -4.94 117.12 119.04 2k2j n MET 50 Ca 0.32 -1.56 -0.35 0.00 -1.81 0.00 0.00 57.70 54.30 2k2j n MET 50 Cb 0.16 -1.47 -0.02 0.00 -0.71 0.00 0.00 33.22 31.19 2k2j n MET 50 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2k2j s GLU 51 N -1.89 3.72 0.04 0.03 2.02 -1.26 -4.97 118.70 116.39 2k2j s GLU 51 Ca 0.34 1.55 -0.25 0.00 0.02 0.00 0.00 54.97 56.62 2k2j s GLU 51 Cb 0.20 -2.21 -0.17 0.00 0.10 0.00 0.00 34.13 32.05 2k2j s GLU 51 CO 0.31 -0.53 1.49 0.93 0.02 0.00 0.00 175.26 177.48 2k2j h GLU 52 N 1.72 -0.20 0.00 1.61 5.08 -2.04 -3.37 114.58 117.38 2k2j h GLU 52 Ca -0.49 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2k2j h GLU 52 Cb 1.24 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2k2j h GLU 52 CO 0.59 0.03 -0.37 -0.25 -1.00 0.00 0.00 179.01 178.01 2k2j n ASP 53 N -5.09 0.21 -3.26 1.42 9.92 -1.26 -5.04 116.55 113.45 2k2j n ASP 53 Ca -0.09 -1.92 -0.10 0.00 -0.53 0.00 0.00 54.79 52.15 2k2j n ASP 53 Cb 0.18 -0.18 0.02 0.00 -0.64 0.00 0.00 41.12 40.50 2k2j n ASP 53 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2k2j n ASN 54 N -0.12 -6.91 0.39 -2.24 3.02 -1.26 -4.96 115.26 103.18 2k2j n ASN 54 Ca 0.01 -0.45 -0.16 0.00 -0.03 0.00 0.00 54.58 53.96 2k2j n ASN 54 Cb 0.66 -4.71 -0.07 0.00 -0.61 0.00 0.00 39.78 35.04 2k2j n ASN 54 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2k2j h PRO 55 N -0.33 -0.98 -2.79 3.52 0.11 -1.96 -3.44 132.00 126.14 2k2j h PRO 55 Ca -0.31 0.07 -0.38 0.00 0.11 0.00 0.00 66.00 65.49 2k2j h PRO 55 Cb 1.17 0.22 -0.38 0.00 0.11 0.00 0.00 31.00 32.12 2k2j h PRO 55 CO 0.37 -0.65 -0.68 -1.17 -0.21 0.00 0.00 178.00 175.65 2k2j s LEU 56 N -9.33 0.10 -0.48 2.35 2.96 -1.26 -5.09 118.68 107.93 2k2j s LEU 56 Ca -0.15 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2k2j s LEU 56 Cb 0.01 0.10 0.15 0.00 0.50 0.00 0.00 46.19 46.95 2k2j s LEU 56 CO 0.45 -0.33 0.31 -0.83 -1.32 0.00 0.00 176.35 174.62 2k2j s GLY 57 N 2.24 1.77 0.54 7.98 0.00 -1.26 -5.11 107.32 113.47 2k2j s GLY 57 Ca 0.05 -2.76 -0.21 0.00 0.00 0.00 0.00 44.72 41.80 2k2j s GLY 57 CO -0.10 1.61 1.24 -0.56 0.00 0.00 0.00 173.10 175.28 2k2j s SER 58 N -0.01 5.48 0.49 1.64 0.01 -1.26 -4.90 113.70 115.15 2k2j s SER 58 Ca 0.22 2.47 0.32 0.00 1.31 0.00 0.00 55.95 60.28 2k2j s SER 58 Cb -0.15 -2.61 1.40 0.00 0.21 0.00 0.00 66.02 64.87 2k2j s SER 58 CO -0.07 -1.40 1.95 0.25 0.41 0.00 0.00 173.24 174.38 2k2j h LEU 59 N 1.37 0.00 -7.80 2.44 5.85 -1.99 -3.38 115.31 111.80 2k2j h LEU 59 Ca -0.50 0.00 -0.74 0.00 0.84 0.00 0.00 57.88 57.48 2k2j h LEU 59 Cb 1.28 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 42.01 2k2j h LEU 59 CO 0.57 0.00 -0.24 0.00 -0.34 0.00 0.00 178.44 178.43 2k2j h ARG 61 N 7.84 0.00 0.00 0.00 9.65 -1.54 -3.49 114.38 126.84 2k2j h ARG 61 Ca -0.06 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2k2j h ARG 61 Cb 1.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 2k2j h ARG 61 CO 0.79 0.02 0.00 0.41 2.80 0.00 0.00 179.97 183.99 2k2j n GLY 62 N 1.18 1.52 2.92 2.80 0.00 -1.19 -5.01 105.19 107.40 2k2j n GLY 62 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 2k2j n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k2j s ILE 63 N -2.00 0.18 -0.39 -0.61 1.01 -1.26 -1.41 121.20 116.71 2k2j s ILE 63 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.32 2k2j s ILE 63 Cb 0.00 -0.17 0.01 0.00 0.01 0.00 0.00 42.46 42.31 2k2j s ILE 63 CO 0.00 -0.01 0.29 -0.76 0.00 0.00 0.00 174.94 174.46 2k2j s LEU 64 N -0.21 4.93 0.57 2.97 2.01 0.31 -4.90 118.68 124.36 2k2j s LEU 64 Ca -0.01 -0.75 0.30 0.00 0.01 0.00 0.00 54.13 53.67 2k2j s LEU 64 Cb -0.02 -2.16 1.45 0.00 0.01 0.00 0.00 46.19 45.48 2k2j s LEU 64 CO -0.00 -0.39 1.87 0.44 1.01 0.00 0.00 176.35 179.28 2k2j h ASP 65 N 8.59 0.00 0.00 2.29 5.19 -1.88 -2.37 116.42 128.24 2k2j h ASP 65 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2k2j h ASP 65 Cb 1.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.64 2k2j h ASP 65 CO 0.70 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 177.00 2k2j n LEU 66 N -3.88 0.97 -0.12 1.55 4.77 -1.26 -4.43 117.00 114.60 2k2j n LEU 66 Ca 0.12 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.18 2k2j n LEU 66 Cb 0.80 -1.95 -0.07 0.00 -2.33 0.00 0.00 43.42 39.87 2k2j n LEU 66 CO 0.31 -0.73 0.05 0.59 -1.33 0.00 0.00 177.39 176.29 2k2j n ASN 67 N -0.49 1.07 -3.01 -1.43 5.03 -1.26 -3.90 115.26 111.27 2k2j n ASN 67 Ca 0.00 -1.03 -0.15 0.00 0.87 0.00 0.00 54.58 54.27 2k2j n ASN 67 Cb 0.24 0.84 -0.00 0.00 -1.02 0.00 0.00 39.78 39.85 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 -1.01 0.15 -4.02 3.41 -2.24 -1.26 -5.03 114.28 104.27 2k2j n THR 68 Ca 0.04 -3.92 -0.10 0.00 -2.27 0.00 0.00 64.05 57.81 2k2j n THR 68 Cb 0.29 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.37 0.52 -0.03 4.78 1.51 -1.26 -0.27 117.35 120.23 2k2j s TYR 69 Ca 0.35 -0.86 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 2k2j s TYR 69 Cb 0.38 0.11 0.02 0.00 -0.11 0.00 0.00 41.96 42.36 2k2j s TYR 69 CO -0.05 -1.00 -0.01 -0.80 -1.11 0.00 0.00 175.55 172.58 2k2j s ASN 70 N -3.06 0.48 -0.11 2.29 0.01 0.58 -4.84 114.94 110.29 2k2j s ASN 70 Ca 0.25 -0.04 -0.13 0.00 -0.71 0.00 0.00 52.86 52.23 2k2j s ASN 70 Cb -0.00 -0.23 -0.05 0.00 0.41 0.00 0.00 41.25 41.38 2k2j s ASN 70 CO 0.11 -0.08 0.29 -0.69 -1.51 0.00 0.00 177.10 175.23 2k2j s VAL 71 N 0.87 5.27 -0.05 1.60 1.01 -1.26 -0.23 120.40 127.61 2k2j s VAL 71 Ca -0.09 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 2k2j s VAL 71 Cb -0.12 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.68 2k2j s VAL 71 CO -0.01 0.49 0.03 0.68 0.00 0.00 0.00 175.10 176.28 2k2j s VAL 72 N -0.27 0.16 -0.56 2.92 -7.23 -0.67 -4.98 120.40 109.76 2k2j s VAL 72 Ca 0.18 0.25 -0.28 0.00 -1.81 0.00 0.00 61.98 60.33 2k2j s VAL 72 Cb -0.14 -0.35 0.01 0.00 0.56 0.00 0.00 36.38 36.46 2k2j s VAL 72 CO 0.07 0.22 1.51 -0.75 -0.31 0.00 0.00 175.10 175.83 2k2j s LYS 73 N 1.98 3.20 -0.17 4.82 2.20 -1.26 -1.48 119.74 129.02 2k2j s LYS 73 Ca 0.04 0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 55.89 2k2j s LYS 73 Cb -0.12 -4.17 -0.01 0.00 -1.51 0.00 0.00 37.83 32.01 2k2j s LYS 73 CO -0.04 -2.06 1.21 0.00 -0.36 0.00 0.00 175.35 174.09 2k2j s ALA 74 N 6.58 3.65 0.00 3.13 0.00 0.34 -4.97 121.76 130.49 2k2j s ALA 74 Ca 0.56 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2k2j s ALA 74 Cb -0.12 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2k2j s ALA 74 CO 0.25 -1.10 0.09 -2.30 0.00 0.00 0.00 175.76 172.70 2k2j n PRO 75 N 6.39 0.00 0.17 0.00 -0.02 -1.26 -2.74 135.00 137.55 2k2j n PRO 75 Ca 0.13 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 2k2j n PRO 75 Cb 0.45 -1.01 0.60 0.00 -0.02 0.00 0.00 33.50 33.53 2k2j n PRO 75 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2k2j h GLN 76 N 0.00 0.00 -1.24 -0.52 4.20 -1.94 -3.41 115.11 112.20 2k2j h GLN 76 Ca 0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 2k2j h GLN 76 Cb 0.00 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.71 2k2j h GLN 76 CO 0.00 0.00 -0.44 0.41 -0.67 0.00 0.00 178.83 178.13 2k2j n GLY 77 N -1.28 -2.81 3.62 3.46 0.00 -1.01 -4.59 105.19 102.56 2k2j n GLY 77 Ca -0.01 -1.31 -0.25 0.00 0.00 0.00 0.00 46.02 44.44 2k2j n GLY 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k2j s LYS 78 N -3.35 2.03 2.51 1.61 2.20 -1.25 -4.87 119.74 118.62 2k2j s LYS 78 Ca 0.00 -1.81 0.00 0.00 -0.36 0.00 0.00 55.97 53.80 2k2j s LYS 78 Cb 0.00 -1.87 0.00 0.00 -1.51 0.00 0.00 37.83 34.45 2k2j s LYS 78 CO 0.00 0.12 0.00 0.09 -0.36 0.00 0.00 175.35 175.20 2k2j n ASN 79 N -0.94 0.00 0.00 1.43 3.02 -1.26 -1.45 115.26 116.07 2k2j n ASN 79 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2k2j n ASN 79 Cb 0.63 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 2k2j n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k2j n GLN 80 N 0.00 0.00 -2.92 3.52 3.00 -1.26 -5.11 117.38 114.61 2k2j n GLN 80 Ca 0.00 -0.39 -0.19 0.00 -0.01 0.00 0.00 57.00 56.41 2k2j n GLN 80 Cb 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 30.24 29.88 2k2j n GLN 80 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2k2j s LYS 81 N 0.00 2.50 0.00 -1.09 -0.14 -0.53 -5.08 119.74 115.41 2k2j s LYS 81 Ca 0.00 -1.29 -0.05 0.00 -1.36 0.00 0.00 55.97 53.26 2k2j s LYS 81 Cb 0.00 -2.64 -0.02 0.00 -1.68 0.00 0.00 37.83 33.49 2k2j s LYS 81 CO 0.00 -0.65 -0.11 0.43 -0.76 0.00 0.00 175.35 174.27 2k2j n SER 82 N -2.15 1.22 -4.46 2.83 7.64 -1.26 -3.82 113.62 113.62 2k2j n SER 82 Ca 0.11 0.18 -0.43 0.00 1.01 0.00 0.00 58.87 59.74 2k2j n SER 82 Cb 0.60 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 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 -2.14 2.69 0.15 1.43 0.08 -1.26 -2.42 117.98 116.51 2k2j s PHE 83 Ca -0.09 -0.62 0.08 0.00 0.12 0.00 0.00 56.93 56.43 2k2j s PHE 83 Cb 0.01 -4.34 -0.04 0.00 -0.57 0.00 0.00 43.02 38.09 2k2j s PHE 83 CO 0.13 -1.68 -0.19 0.08 -0.10 0.00 0.00 175.22 173.47 2k2j s VAL 84 N 4.08 1.79 -0.09 -0.44 1.01 -1.11 -3.96 120.40 121.69 2k2j s VAL 84 Ca 0.25 -1.84 -0.01 0.00 0.00 0.00 0.00 61.98 60.38 2k2j s VAL 84 Cb -0.14 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.49 2k2j s VAL 84 CO 0.07 -0.27 -0.01 -0.36 0.00 0.00 0.00 175.10 174.54 2k2j s PHE 85 N -1.87 0.83 -0.13 5.22 0.40 -0.65 0.13 117.98 121.91 2k2j s PHE 85 Ca 0.14 -0.30 -0.07 0.00 -0.60 0.00 0.00 56.93 56.09 2k2j s PHE 85 Cb -0.07 -0.89 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 2k2j s PHE 85 CO 0.06 -0.38 0.14 0.42 0.70 0.00 0.00 175.22 176.16 2k2j s ILE 86 N 1.92 5.50 -0.19 0.64 1.01 -0.55 -1.70 121.20 127.83 2k2j s ILE 86 Ca 0.05 0.21 -0.09 0.00 0.00 0.00 0.00 60.65 60.82 2k2j s ILE 86 Cb -0.13 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 2k2j s ILE 86 CO -0.06 0.60 0.10 -0.76 0.00 0.00 0.00 174.94 174.83 2k2j s LEU 87 N -0.90 4.05 -0.32 2.97 1.43 -0.13 -1.67 118.68 124.11 2k2j s LEU 87 Ca 0.14 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 2k2j s LEU 87 Cb -0.12 -2.04 0.07 0.00 0.03 0.00 0.00 46.19 44.13 2k2j s LEU 87 CO 0.03 0.18 0.04 -1.61 0.23 0.00 0.00 176.35 175.22 2k2j s GLU 88 N 0.35 2.26 0.73 1.70 2.02 0.68 -2.37 118.70 124.08 2k2j s GLU 88 Ca 0.06 -1.42 -0.16 0.00 0.02 0.00 0.00 54.97 53.47 2k2j s GLU 88 Cb -0.12 -3.24 0.02 0.00 0.10 0.00 0.00 34.13 30.89 2k2j s GLU 88 CO -0.01 -0.73 1.07 -0.35 0.02 0.00 0.00 175.26 175.27 2k2j n PRO 89 N 4.58 0.55 0.00 0.39 -0.04 -1.26 -0.30 135.00 138.91 2k2j n PRO 89 Ca -0.10 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2k2j n PRO 89 Cb 0.43 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 2k2j n PRO 89 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k2j n LYS 90 N -2.16 -0.79 0.36 0.54 5.02 0.63 -4.79 118.16 116.96 2k2j n LYS 90 Ca 0.14 -0.52 -0.14 0.00 -2.02 0.00 0.00 58.31 55.76 2k2j n LYS 90 Cb 0.49 -0.98 -0.07 0.00 -0.02 0.00 0.00 35.03 34.46 2k2j n LYS 90 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 2k2j h GLN 91 N 0.00 -0.87 0.00 1.97 4.20 -1.93 -3.49 115.11 114.99 2k2j h GLN 91 Ca 0.00 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2k2j h GLN 91 Cb 0.04 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2k2j h GLN 91 CO 0.00 -0.58 0.00 0.00 -0.67 0.00 0.00 178.83 177.58 2k2j n GLN 92 N -4.51 0.00 -0.28 1.46 10.64 -1.26 -5.00 117.38 118.43 2k2j n GLN 92 Ca -0.11 0.00 0.07 0.00 -1.83 0.00 0.00 57.00 55.13 2k2j n GLN 92 Cb 0.36 0.00 0.12 0.00 -0.86 0.00 0.00 30.24 29.86 2k2j n GLN 92 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k2j n GLY 93 N -0.04 4.04 3.47 2.61 0.00 -1.26 -5.08 105.19 108.94 2k2j n GLY 93 Ca 0.00 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 2k2j n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k2j n ASP 94 N -1.08 -1.42 -4.81 1.61 9.92 -1.26 -4.97 116.55 114.55 2k2j n ASP 94 Ca 0.13 0.43 -0.37 0.00 -0.53 0.00 0.00 54.79 54.45 2k2j n ASP 94 Cb 0.68 -1.25 -0.06 0.00 -0.64 0.00 0.00 41.12 39.84 2k2j n ASP 94 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k2j s PRO 95 N -3.52 4.30 0.94 -0.24 0.04 -1.26 -4.73 135.00 130.54 2k2j s PRO 95 Ca 0.61 0.90 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 2k2j s PRO 95 Cb -0.25 -3.00 0.15 0.00 0.04 0.00 0.00 34.50 31.44 2k2j s PRO 95 CO 0.63 0.46 1.10 -2.14 0.04 0.00 0.00 177.00 177.09 2k2j s PRO 96 N -1.71 0.90 -0.05 0.56 0.02 -1.26 -4.73 135.00 128.74 2k2j s PRO 96 Ca 0.40 0.56 0.00 0.00 0.02 0.00 0.00 61.00 61.98 2k2j s PRO 96 Cb -0.18 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.57 2k2j s PRO 96 CO 0.22 -2.42 -0.01 0.08 -0.33 0.00 0.00 177.00 174.54 2k2j s VAL 97 N -3.03 0.34 0.00 3.83 1.01 -1.00 -4.95 120.40 116.60 2k2j s VAL 97 Ca 0.64 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.55 2k2j s VAL 97 Cb -0.17 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 2k2j s VAL 97 CO 0.56 0.20 0.33 -1.61 0.00 0.00 0.00 175.10 174.59 2k2j s GLU 98 N 1.25 3.73 0.05 2.72 8.01 -1.26 -0.96 118.70 132.24 2k2j s GLU 98 Ca -0.06 0.16 0.04 0.00 0.01 0.00 0.00 54.97 55.12 2k2j s GLU 98 Cb -0.13 -3.13 -0.02 0.00 -4.31 0.00 0.00 34.13 26.53 2k2j s GLU 98 CO -0.02 0.66 -0.13 -0.06 0.01 0.00 0.00 175.26 175.73 2k2j s PHE 99 N -1.20 1.10 0.00 1.61 0.40 -0.69 -2.33 117.98 116.87 2k2j s PHE 99 Ca 0.25 -0.40 -0.13 0.00 -0.60 0.00 0.00 56.93 56.05 2k2j s PHE 99 Cb -0.14 -0.64 0.02 0.00 0.51 0.00 0.00 43.02 42.77 2k2j s PHE 99 CO 0.14 0.02 0.28 0.00 0.70 0.00 0.00 175.22 176.36 2k2j s ALA 100 N -1.05 -0.68 0.00 5.36 0.00 -0.60 -1.63 121.76 123.16 2k2j s ALA 100 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2k2j s ALA 100 Cb -0.09 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.18 2k2j s ALA 100 CO 0.01 -0.29 0.00 0.25 0.00 0.00 0.00 175.76 175.73 2k2j n THR 101 N 1.12 0.00 -0.29 0.00 -2.24 -1.25 -3.19 114.28 108.42 2k2j n THR 101 Ca -0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2k2j n THR 101 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.13 0.89 -3.96 3.42 9.92 -1.26 -4.93 116.55 119.49 2k2j n ASP 102 Ca 0.00 -1.18 -0.09 0.00 -0.53 0.00 0.00 54.79 52.99 2k2j n ASP 102 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 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 -0.18 0.91 0.13 -1.24 0.52 -1.26 -5.06 118.95 112.77 2k2j s ARG 103 Ca 0.00 -1.13 0.01 0.00 -0.52 0.00 0.00 55.73 54.09 2k2j s ARG 103 Cb 0.00 0.32 -0.14 0.00 0.52 0.00 0.00 34.95 35.65 2k2j s ARG 103 CO 0.00 -0.29 1.28 -0.39 0.02 0.00 0.00 175.30 175.92 2k2j h VAL 104 N 2.77 1.54 0.03 3.52 -1.51 -1.99 -2.95 116.25 117.66 2k2j h VAL 104 Ca -0.33 -2.93 -0.00 0.00 -1.23 0.00 0.00 66.70 62.20 2k2j h VAL 104 Cb 1.20 2.70 0.00 0.00 -2.13 0.00 0.00 31.29 33.06 2k2j h VAL 104 CO 0.56 0.85 -0.01 -0.33 -1.23 0.00 0.00 177.57 177.41 2k2j h GLU 105 N 0.08 -0.04 -0.02 5.19 5.08 -1.99 -2.63 114.58 120.25 2k2j h GLU 105 Ca -0.07 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2k2j h GLU 105 Cb 1.71 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.97 2k2j h GLU 105 CO 0.16 0.49 0.02 0.93 -1.00 0.00 0.00 179.01 179.60 2k2j h GLU 106 N -0.59 0.00 0.40 2.33 4.39 -1.99 -0.33 114.58 118.79 2k2j h GLU 106 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2k2j h GLU 106 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2k2j h GLU 106 CO 0.01 0.00 -0.19 1.25 -1.16 0.00 0.00 179.01 178.92 2k2j h LEU 107 N 0.00 -0.45 -1.50 1.33 5.85 -1.44 -2.00 115.31 117.10 2k2j h LEU 107 Ca 0.01 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 2k2j h LEU 107 Cb 0.04 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2k2j h LEU 107 CO -0.00 -0.06 -0.25 0.15 -0.34 0.00 0.00 178.44 177.94 2k2j h PHE 108 N -0.93 0.00 0.32 1.25 3.57 -1.17 -1.06 116.94 118.92 2k2j h PHE 108 Ca -0.05 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 2k2j h PHE 108 Cb 0.55 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2k2j h PHE 108 CO 0.02 0.25 -0.15 1.49 -2.23 0.00 0.00 178.31 177.69 2k2j h GLU 109 N 0.00 -0.41 -0.16 1.11 4.57 -1.06 -2.33 114.58 116.29 2k2j h GLU 109 Ca -0.00 0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 2k2j h GLU 109 Cb 0.53 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 2k2j h GLU 109 CO 0.03 -0.15 -0.10 -1.49 -1.18 0.00 0.00 179.01 176.13 2k2j h TRP 110 N -1.04 0.41 -0.03 0.92 4.06 -1.38 -2.84 115.95 116.05 2k2j h TRP 110 Ca -0.04 -0.11 -0.12 0.00 2.06 0.00 0.00 58.89 60.68 2k2j h TRP 110 Cb 0.45 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 2k2j h TRP 110 CO 0.03 0.69 -0.52 0.74 -3.56 0.00 0.00 178.44 175.82 2k2j h PHE 111 N 0.02 0.11 -0.12 0.49 0.04 -1.35 -1.96 116.94 114.18 2k2j h PHE 111 Ca 0.03 -0.04 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 2k2j h PHE 111 Cb 0.59 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 2k2j h PHE 111 CO 0.07 0.59 -0.48 0.37 -0.60 0.00 0.00 178.31 178.26 2k2j h GLN 112 N 0.07 0.30 -0.23 1.51 -0.00 -1.44 -1.96 115.11 113.37 2k2j h GLN 112 Ca -0.00 -0.17 -0.06 0.00 -0.00 0.00 0.00 58.65 58.42 2k2j h GLN 112 Cb 0.94 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.42 2k2j h GLN 112 CO 0.07 0.72 -0.11 0.77 0.00 0.00 0.00 178.83 180.28 2k2j h SER 113 N 0.24 0.49 -0.58 -0.69 0.02 -1.23 0.17 113.55 111.97 2k2j h SER 113 Ca 0.01 -0.41 0.02 0.00 -0.84 0.00 0.00 61.79 60.58 2k2j h SER 113 Cb 0.94 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 2k2j h SER 113 CO 0.08 0.79 0.38 0.40 -1.14 0.00 0.00 176.83 177.34 2k2j h ILE 114 N 0.19 1.09 0.00 3.27 2.04 -1.25 -0.12 117.51 122.73 2k2j h ILE 114 Ca 0.05 -0.24 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 2k2j h ILE 114 Cb 0.60 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2k2j h ILE 114 CO 0.03 0.13 -0.64 0.03 0.00 0.00 0.00 178.15 177.70 2k2j h ARG 115 N 0.70 0.00 0.00 2.37 3.08 -1.11 -2.19 114.38 117.23 2k2j h ARG 115 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2k2j h ARG 115 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2k2j h ARG 115 CO -0.06 0.64 0.00 0.93 -1.07 0.00 0.00 179.97 180.41 2k2j h GLU 116 N 0.00 0.00 0.00 0.04 4.39 0.13 0.50 114.58 119.63 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 1.30 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.91 2k2j h GLU 116 CO 0.08 0.00 -1.83 -0.89 -1.16 0.00 0.00 179.01 175.21 2k2j n ILE 117 N -2.90 0.83 -0.07 3.13 5.41 -1.12 -4.30 119.36 120.35 2k2j n ILE 117 Ca -0.01 -0.48 -0.07 0.00 1.00 0.00 0.00 62.75 63.19 2k2j n ILE 117 Cb 0.15 -0.74 -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 -2.53 1.25 0.30 1.39 -2.24 -0.83 -4.47 114.28 107.14 2k2j n THR 118 Ca -0.21 0.21 0.16 0.00 -2.27 0.00 0.00 64.05 61.94 2k2j n THR 118 Cb 0.87 -2.22 0.94 0.00 -2.10 0.00 0.00 70.33 67.82 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 -3.54 4.78 2.91 -0.41 -3.38 115.95 115.47 2k2j h TRP 119 Ca 0.00 0.00 -0.67 0.00 1.13 0.00 0.00 58.89 59.35 2k2j h TRP 119 Cb 0.76 0.00 -0.35 0.00 -0.51 0.00 0.00 29.16 29.07 2k2j h TRP 119 CO -0.33 0.01 -0.79 0.21 -1.03 0.00 0.00 178.44 176.51 2k2j s LYS 120 N -4.56 2.63 -0.14 2.65 2.20 0.93 -4.98 119.74 118.46 2k2j s LYS 120 Ca -0.05 -1.09 -0.05 0.00 -0.36 0.00 0.00 55.97 54.42 2k2j s LYS 120 Cb 0.15 -2.86 0.07 0.00 -1.51 0.00 0.00 37.83 33.68 2k2j s LYS 120 CO 0.53 -0.43 0.29 0.96 -0.36 0.00 0.00 175.35 176.35 2k2j s ILE 121 N 1.23 -0.44 -0.42 5.43 -4.36 -1.26 -4.18 121.20 117.19 2k2j s ILE 121 Ca -0.02 0.26 -0.19 0.00 -0.26 0.00 0.00 60.65 60.43 2k2j s ILE 121 Cb -0.17 -0.48 0.03 0.00 1.25 0.00 0.00 42.46 43.08 2k2j s ILE 121 CO -0.07 0.11 0.58 0.47 0.24 0.00 0.00 174.94 176.27 2k2j n ASP 122 N 5.31 -7.52 0.23 4.36 8.00 -1.26 -4.96 116.55 120.70 2k2j n ASP 122 Ca -0.07 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.88 2k2j n ASP 122 Cb 0.50 -4.70 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 2k2j n ASP 122 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2k2j n THR 123 N -0.22 0.00 -0.43 -3.53 -1.04 -1.26 -5.29 114.28 102.51 2k2j n THR 123 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2k2j n THR 123 Cb 0.48 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 2k2j n THR 123 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72