#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3x h VAL 2 N 0.00 0.89 -0.61 1.12 3.04 -2.02 -1.60 116.25 117.07 2k3x h VAL 2 Ca 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.72 2k3x h VAL 2 Cb 0.00 0.95 -0.03 0.00 -2.01 0.00 0.00 31.29 30.20 2k3x h VAL 2 CO 0.00 0.00 0.41 -0.78 -1.01 0.00 0.00 177.57 176.19 2k3x h ASP 3 N 0.00 0.64 -0.34 3.17 3.58 -2.02 -1.03 116.42 120.42 2k3x h ASP 3 Ca 0.04 -0.01 -0.12 0.00 0.42 0.00 0.00 57.03 57.37 2k3x h ASP 3 Cb 0.18 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.07 2k3x h ASP 3 CO -0.00 0.45 -0.24 0.25 -2.88 0.00 0.00 179.24 176.81 2k3x h LEU 4 N 0.75 0.80 -1.20 2.28 5.85 -1.72 -3.12 115.31 118.94 2k3x h LEU 4 Ca 0.24 -0.44 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 2k3x h LEU 4 Cb 0.04 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2k3x h LEU 4 CO -0.06 1.07 -0.40 -0.33 -0.34 0.00 0.00 178.44 178.37 2k3x h GLU 5 N 0.54 0.00 -0.07 1.25 5.08 -1.38 -3.01 114.58 116.98 2k3x h GLU 5 Ca 0.07 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2k3x h GLU 5 Cb 0.80 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2k3x h GLU 5 CO 0.06 0.40 0.06 0.37 -1.00 0.00 0.00 179.01 178.91 2k3x h GLN 6 N 0.00 0.00 -6.69 2.33 4.15 -1.15 -3.38 115.11 110.38 2k3x h GLN 6 Ca -0.00 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.89 2k3x h GLN 6 Cb 0.71 0.00 0.05 0.00 0.21 0.00 0.00 27.48 28.45 2k3x h GLN 6 CO 0.05 0.00 0.82 -1.21 -1.93 0.00 0.00 178.83 176.56 2k3x s GLU 7 N -4.86 4.24 0.44 1.69 2.02 -1.14 -3.21 118.70 117.87 2k3x s GLU 7 Ca -0.05 2.34 -0.24 0.00 0.02 0.00 0.00 54.97 57.04 2k3x s GLU 7 Cb 0.16 -3.13 -0.10 0.00 0.10 0.00 0.00 34.13 31.17 2k3x s GLU 7 CO 0.62 -0.51 1.00 1.97 0.02 0.00 0.00 175.26 178.35 2k3x n PHE 8 N 3.04 1.11 -4.12 1.61 -1.74 -1.26 -4.64 117.46 111.46 2k3x n PHE 8 Ca 0.10 0.55 -0.12 0.00 -0.56 0.00 0.00 57.45 57.41 2k3x n PHE 8 Cb 0.39 -2.22 -0.11 0.00 1.52 0.00 0.00 39.48 39.07 2k3x n PHE 8 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k3x s ALA 9 N -1.30 0.79 -1.05 1.98 0.00 -1.26 -5.00 121.76 115.91 2k3x s ALA 9 Ca 0.64 -1.03 -0.23 0.00 0.00 0.00 0.00 51.96 51.35 2k3x s ALA 9 Cb -0.54 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 2k3x s ALA 9 CO 0.56 -0.10 1.74 -0.51 0.00 0.00 0.00 175.76 177.46 2k3x s LEU 10 N -2.20 3.37 0.00 0.00 2.01 -1.26 -0.91 118.68 119.68 2k3x s LEU 10 Ca -0.00 -1.38 0.00 0.00 0.01 0.00 0.00 54.13 52.75 2k3x s LEU 10 Cb -0.04 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.59 2k3x s LEU 10 CO -0.02 -2.13 0.00 0.61 1.01 0.00 0.00 176.35 175.82 2k3x n GLY 11 N 6.46 0.93 3.79 -3.19 0.00 -1.22 -4.98 105.19 106.97 2k3x n GLY 11 Ca 0.40 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2k3x n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k3x s GLY 12 N -2.55 1.82 0.73 -0.02 0.00 -0.09 -4.84 107.32 102.37 2k3x s GLY 12 Ca 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 44.72 44.91 2k3x s GLY 12 CO 0.00 0.61 1.08 0.50 0.00 0.00 0.00 173.10 175.30 2k3x s ARG 13 N -4.69 2.34 0.35 2.90 0.52 -1.26 -1.61 118.95 117.50 2k3x s ARG 13 Ca 0.62 0.07 -0.11 0.00 -0.52 0.00 0.00 55.73 55.79 2k3x s ARG 13 Cb -0.17 -2.07 0.03 0.00 0.52 0.00 0.00 34.95 33.27 2k3x s ARG 13 CO 0.50 -1.27 0.64 0.00 0.02 0.00 0.00 175.30 175.20 2k3x s LEU 15 N -3.12 1.86 -0.03 0.00 2.01 -0.05 -0.33 118.68 119.02 2k3x s LEU 15 Ca 0.21 -0.01 0.02 0.00 0.01 0.00 0.00 54.13 54.37 2k3x s LEU 15 Cb -0.03 -0.05 0.01 0.00 0.01 0.00 0.00 46.19 46.13 2k3x s LEU 15 CO 0.14 -0.01 -0.07 0.00 1.01 0.00 0.00 176.35 177.42 2k3x s ALA 16 N 0.15 0.73 0.01 4.21 0.00 -0.19 -1.28 121.76 125.39 2k3x s ALA 16 Ca -0.01 -0.21 -0.18 0.00 0.00 0.00 0.00 51.96 51.56 2k3x s ALA 16 Cb -0.02 -0.33 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 2k3x s ALA 16 CO -0.00 0.08 0.52 -0.06 0.00 0.00 0.00 175.76 176.30 2k3x s PHE 17 N 0.42 3.71 -0.09 0.00 0.08 -0.25 -0.97 117.98 120.89 2k3x s PHE 17 Ca -0.06 1.13 -0.01 0.00 0.12 0.00 0.00 56.93 58.11 2k3x s PHE 17 Cb -0.10 -2.48 -0.05 0.00 -0.57 0.00 0.00 43.02 39.82 2k3x s PHE 17 CO 0.00 0.48 -0.09 0.72 -0.10 0.00 0.00 175.22 176.24 2k3x n HIS 18 N 2.30 0.00 0.00 0.36 8.25 -0.62 -4.84 115.22 120.67 2k3x n HIS 18 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2k3x n HIS 18 Cb 0.51 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.29 2k3x n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k3x n GLY 19 N 2.91 -0.10 0.37 -1.41 0.00 -1.26 -4.92 105.19 100.78 2k3x n GLY 19 Ca -0.16 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2k3x n GLY 19 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2k3x h PRO 20 N 0.00 0.87 0.00 1.61 0.11 -2.03 -3.45 132.00 129.11 2k3x h PRO 20 Ca 0.00 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.92 2k3x h PRO 20 Cb 0.00 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 30.88 2k3x h PRO 20 CO 0.00 0.58 -0.08 -0.11 -0.21 0.00 0.00 178.00 178.18 2k3x n LEU 21 N -4.58 0.00 -4.44 2.35 7.94 -1.26 -4.95 117.00 112.06 2k3x n LEU 21 Ca 0.18 -1.37 -0.22 0.00 -1.11 0.00 0.00 56.01 53.48 2k3x n LEU 21 Cb 0.37 1.20 -0.10 0.00 0.53 0.00 0.00 43.42 45.41 2k3x n LEU 21 CO 0.29 -0.31 -0.43 0.00 -1.11 0.00 0.00 177.39 175.82 2k3x s MET 22 N -2.39 1.58 0.17 1.96 0.23 -1.26 -1.59 119.30 117.99 2k3x s MET 22 Ca 0.14 -1.75 0.05 0.00 -1.03 0.00 0.00 55.69 53.10 2k3x s MET 22 Cb -0.00 -1.47 -0.05 0.00 -1.53 0.00 0.00 34.83 31.78 2k3x s MET 22 CO 0.10 0.21 -0.10 0.71 -2.03 0.00 0.00 175.02 173.91 2k3x s TYR 23 N -2.74 1.39 0.45 3.16 2.02 -0.14 -4.93 117.35 116.55 2k3x s TYR 23 Ca 0.28 -0.74 -0.23 0.00 -0.37 0.00 0.00 57.07 56.02 2k3x s TYR 23 Cb -0.01 -0.70 -0.08 0.00 -0.40 0.00 0.00 41.96 40.77 2k3x s TYR 23 CO 0.12 0.13 1.11 -1.21 -1.57 0.00 0.00 175.55 174.13 2k3x s GLU 24 N -3.74 3.86 0.20 -0.62 2.02 -1.25 -1.02 118.70 118.15 2k3x s GLU 24 Ca 0.19 1.62 0.05 0.00 0.02 0.00 0.00 54.97 56.85 2k3x s GLU 24 Cb 0.02 -2.38 -0.05 0.00 0.10 0.00 0.00 34.13 31.83 2k3x s GLU 24 CO 0.03 -0.43 -0.07 0.00 0.02 0.00 0.00 175.26 174.81 2k3x s ALA 25 N -1.66 1.74 -0.25 5.21 0.00 0.55 -0.73 121.76 126.62 2k3x s ALA 25 Ca 0.63 -1.65 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 2k3x s ALA 25 Cb -0.24 0.20 0.12 0.00 0.00 0.00 0.00 23.12 23.20 2k3x s ALA 25 CO 0.30 -0.13 0.30 0.21 0.00 0.00 0.00 175.76 176.44 2k3x s LYS 26 N -3.77 0.29 0.19 0.00 2.20 -0.78 -1.15 119.74 116.71 2k3x s LYS 26 Ca 0.23 0.16 -0.31 0.00 -0.36 0.00 0.00 55.97 55.69 2k3x s LYS 26 Cb 0.03 -0.79 -0.10 0.00 -1.51 0.00 0.00 37.83 35.46 2k3x s LYS 26 CO 0.05 -0.80 1.53 0.42 -0.36 0.00 0.00 175.35 176.19 2k3x s ILE 27 N 2.40 2.65 0.00 5.43 1.01 -0.63 -1.53 121.20 130.53 2k3x s ILE 27 Ca 0.09 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.23 2k3x s ILE 27 Cb -0.15 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.01 2k3x s ILE 27 CO -0.21 0.05 0.00 -0.11 0.00 0.00 0.00 174.94 174.67 2k3x n LEU 28 N 3.51 0.00 -4.68 2.97 7.94 0.03 -3.45 117.00 123.33 2k3x n LEU 28 Ca 0.12 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.61 2k3x n LEU 28 Cb 0.39 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.29 2k3x n LEU 28 CO 0.61 0.00 0.49 -0.54 -1.11 0.00 0.00 177.39 176.84 2k3x s LYS 29 N 0.00 4.31 -0.67 1.96 1.02 -1.14 -4.61 119.74 120.61 2k3x s LYS 29 Ca 0.00 0.88 -0.06 0.00 0.02 0.00 0.00 55.97 56.81 2k3x s LYS 29 Cb 0.00 -3.54 0.17 0.00 -0.52 0.00 0.00 37.83 33.94 2k3x s LYS 29 CO 0.00 -0.20 0.52 0.96 -0.92 0.00 0.00 175.35 175.72 2k3x s ILE 30 N 1.72 4.28 0.40 2.17 -0.00 -0.21 -1.13 121.20 128.42 2k3x s ILE 30 Ca 0.36 -2.74 -0.24 0.00 -0.00 0.00 0.00 60.65 58.02 2k3x s ILE 30 Cb -0.17 -3.74 -0.09 0.00 -0.00 0.00 0.00 42.46 38.47 2k3x s ILE 30 CO 0.13 -0.91 1.07 0.86 -0.00 0.00 0.00 174.94 176.09 2k3x s TRP 31 N 0.10 3.24 -0.19 1.37 -0.11 0.34 -3.27 118.94 120.42 2k3x s TRP 31 Ca 0.16 1.63 -0.04 0.00 1.22 0.00 0.00 56.10 59.07 2k3x s TRP 31 Cb -0.18 -3.18 0.09 0.00 -1.50 0.00 0.00 33.47 28.71 2k3x s TRP 31 CO -0.05 -0.75 0.30 0.34 -4.62 0.00 0.00 176.95 172.17 2k3x s ASP 32 N -1.47 0.51 0.08 5.86 -1.08 -1.10 -1.67 116.67 117.79 2k3x s ASP 32 Ca 0.57 0.33 0.08 0.00 -0.52 0.00 0.00 52.55 53.02 2k3x s ASP 32 Cb -0.24 0.81 0.38 0.00 -1.46 0.00 0.00 42.92 42.41 2k3x s ASP 32 CO 0.30 -0.28 1.24 -0.81 0.52 0.00 0.00 175.17 176.14 2k3x n PRO 33 N 5.35 0.04 0.27 4.34 -0.04 -1.26 -1.20 135.00 142.50 2k3x n PRO 33 Ca -0.06 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 2k3x n PRO 33 Cb 0.50 -1.61 0.74 0.00 -0.04 0.00 0.00 33.50 33.09 2k3x n PRO 33 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2k3x h SER 34 N 0.00 0.00 0.00 3.54 0.02 -1.94 -2.95 113.55 112.22 2k3x h SER 34 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3x h SER 34 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2k3x h SER 34 CO 0.00 0.09 -0.56 -1.20 -1.14 0.00 0.00 176.83 174.01 2k3x n SER 35 N -3.90 2.03 -4.08 3.07 7.64 -0.87 -5.03 113.62 112.48 2k3x n SER 35 Ca -0.02 -0.31 -0.33 0.00 1.01 0.00 0.00 58.87 59.22 2k3x n SER 35 Cb 0.18 1.05 -0.01 0.00 -1.01 0.00 0.00 64.21 64.43 2k3x n SER 35 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2k3x n LYS 36 N -1.30 -4.00 -2.77 1.43 4.81 -0.34 -4.95 118.16 111.05 2k3x n LYS 36 Ca 0.00 0.46 -0.07 0.00 -0.87 0.00 0.00 58.31 57.82 2k3x n LYS 36 Cb 0.05 -5.17 -0.02 0.00 0.02 0.00 0.00 35.03 29.91 2k3x n LYS 36 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2k3x n MET 37 N -4.48 0.31 -1.70 1.64 2.81 -1.25 -4.93 117.12 109.52 2k3x n MET 37 Ca 0.01 -1.37 0.00 0.00 -1.81 0.00 0.00 57.70 54.54 2k3x n MET 37 Cb 0.53 1.28 0.00 0.00 -0.71 0.00 0.00 33.22 34.32 2k3x n MET 37 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 2k3x n TYR 38 N -0.28 -0.24 -3.49 2.03 4.11 -1.26 -2.72 117.16 115.31 2k3x n TYR 38 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.81 2k3x n TYR 38 Cb 0.28 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.60 2k3x n TYR 38 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.86 177.81 2k3x s THR 39 N -0.61 0.00 0.25 -3.48 -4.23 -1.20 -3.53 115.64 102.84 2k3x s THR 39 Ca 0.00 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.30 2k3x s THR 39 Cb 0.00 -1.00 0.05 0.00 1.34 0.00 0.00 72.50 72.89 2k3x s THR 39 CO 0.00 0.00 0.86 -0.55 -0.54 0.00 0.00 174.62 174.39 2k3x s SER 40 N -2.39 -0.12 0.03 3.99 0.15 -1.24 -1.05 113.70 113.06 2k3x s SER 40 Ca 0.03 -0.70 0.03 0.00 0.70 0.00 0.00 55.95 56.00 2k3x s SER 40 Cb -0.01 0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 64.94 2k3x s SER 40 CO -0.08 -1.25 -0.08 0.27 1.20 0.00 0.00 173.24 173.29 2k3x s ILE 41 N -3.03 0.60 -1.92 6.45 -5.25 -1.26 -1.28 121.20 115.52 2k3x s ILE 41 Ca 0.14 -0.83 0.30 0.00 -0.99 0.00 0.00 60.65 59.27 2k3x s ILE 41 Cb -0.04 -0.61 0.61 0.00 2.95 0.00 0.00 42.46 45.37 2k3x s ILE 41 CO 0.07 -0.18 1.95 -0.81 -1.79 0.00 0.00 174.94 174.17 2k3x n PRO 42 N 1.94 0.97 0.00 0.37 -0.04 -1.26 -3.64 135.00 133.34 2k3x n PRO 42 Ca -0.19 -0.31 0.06 0.00 -0.04 0.00 0.00 63.50 63.02 2k3x n PRO 42 Cb 0.56 -1.49 0.34 0.00 -0.04 0.00 0.00 33.50 32.86 2k3x n PRO 42 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2k3x n ASN 43 N -0.75 0.00 -3.69 3.54 5.15 -1.26 -4.67 115.26 113.58 2k3x n ASN 43 Ca 0.18 -0.20 -0.15 0.00 -0.60 0.00 0.00 54.58 53.81 2k3x n ASN 43 Cb 0.24 -0.10 -0.08 0.00 -0.53 0.00 0.00 39.78 39.31 2k3x n ASN 43 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2k3x s ASP 44 N -2.21 0.79 0.06 1.20 2.15 -1.24 -5.05 116.67 112.36 2k3x s ASP 44 Ca 0.16 -1.48 0.03 0.00 0.43 0.00 0.00 52.55 51.69 2k3x s ASP 44 Cb 0.08 0.52 -0.03 0.00 -0.30 0.00 0.00 42.92 43.20 2k3x s ASP 44 CO 0.16 -1.05 -0.09 -1.59 -0.17 0.00 0.00 175.17 172.43 2k3x s LYS 45 N -3.66 0.64 0.16 4.34 -2.85 -1.26 -3.30 119.74 113.81 2k3x s LYS 45 Ca 0.36 -0.89 -0.16 0.00 -1.00 0.00 0.00 55.97 54.28 2k3x s LYS 45 Cb 0.03 -0.40 0.09 0.00 -2.06 0.00 0.00 37.83 35.49 2k3x s LYS 45 CO 0.19 0.07 1.71 -1.35 0.10 0.00 0.00 175.35 176.06 2k3x h PRO 46 N 4.22 0.13 0.00 1.78 0.11 -1.87 -3.47 132.00 132.89 2k3x h PRO 46 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2k3x h PRO 46 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k3x h PRO 46 CO 0.44 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 178.72 2k3x n GLY 47 N -1.26 3.20 0.30 -0.55 0.00 -1.26 -4.68 105.19 100.94 2k3x n GLY 47 Ca 0.02 -0.98 0.19 0.00 0.00 0.00 0.00 46.02 45.25 2k3x n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k3x h GLY 48 N 0.00 0.00 -4.19 -0.02 0.00 -1.91 -3.43 103.07 93.52 2k3x h GLY 48 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 2k3x h GLY 48 CO 0.00 0.00 -0.72 -0.56 0.00 0.00 0.00 176.54 175.26 2k3x s SER 49 N -5.55 0.93 0.54 0.19 0.01 -1.26 -5.07 113.70 103.49 2k3x s SER 49 Ca -0.01 -0.70 0.32 0.00 1.31 0.00 0.00 55.95 56.87 2k3x s SER 49 Cb 0.11 0.06 1.38 0.00 0.21 0.00 0.00 66.02 67.78 2k3x s SER 49 CO 0.50 -0.29 1.99 0.28 0.41 0.00 0.00 173.24 176.13 2k3x h SER 50 N 3.99 0.00 -4.37 2.44 0.02 -1.98 -3.33 113.55 110.32 2k3x h SER 50 Ca -0.36 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.64 2k3x h SER 50 Cb 1.19 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.52 2k3x h SER 50 CO 0.49 0.05 0.46 -1.58 -1.14 0.00 0.00 176.83 175.10 2k3x s GLN 51 N -3.74 0.72 0.82 3.45 0.74 -1.26 -4.76 119.66 115.63 2k3x s GLN 51 Ca 0.00 0.13 -0.12 0.00 0.05 0.00 0.00 55.36 55.43 2k3x s GLN 51 Cb 0.10 0.34 0.08 0.00 1.10 0.00 0.00 33.01 34.63 2k3x s GLN 51 CO 0.55 -0.23 1.12 0.00 -0.55 0.00 0.00 175.29 176.17 2k3x s ALA 52 N -1.31 2.24 -0.35 1.58 0.00 -1.21 -4.78 121.76 117.94 2k3x s ALA 52 Ca -0.03 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.59 2k3x s ALA 52 Cb -0.00 -3.06 0.09 0.00 0.00 0.00 0.00 23.12 20.14 2k3x s ALA 52 CO 0.03 -1.79 0.07 0.99 0.00 0.00 0.00 175.76 175.05 2k3x s THR 53 N -3.25 2.68 0.34 0.00 2.01 -1.26 -4.51 115.64 111.66 2k3x s THR 53 Ca 0.61 -2.04 0.00 0.00 0.31 0.00 0.00 61.69 60.57 2k3x s THR 53 Cb -0.14 -2.83 0.00 0.00 0.01 0.00 0.00 72.50 69.55 2k3x s THR 53 CO 0.53 -0.49 0.00 1.17 -0.69 0.00 0.00 174.62 175.14 2k3x n LYS 54 N 4.43 -2.33 -1.59 4.92 4.81 -1.26 -4.46 118.16 122.68 2k3x n LYS 54 Ca -0.02 1.70 -0.40 0.00 -0.87 0.00 0.00 58.31 58.71 2k3x n LYS 54 Cb 0.42 -2.89 -0.03 0.00 0.02 0.00 0.00 35.03 32.55 2k3x n LYS 54 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2k3x s GLU 55 N -2.95 2.70 -0.07 1.64 2.02 -1.26 -4.04 118.70 116.73 2k3x s GLU 55 Ca 0.00 1.77 -0.30 0.00 0.02 0.00 0.00 54.97 56.46 2k3x s GLU 55 Cb 0.00 -4.46 -0.03 0.00 0.10 0.00 0.00 34.13 29.74 2k3x s GLU 55 CO 0.00 -2.60 1.22 0.42 0.02 0.00 0.00 175.26 174.32 2k3x s ILE 56 N 9.94 4.23 0.42 -1.63 1.01 -0.40 -4.95 121.20 129.83 2k3x s ILE 56 Ca 0.99 1.55 -0.25 0.00 0.00 0.00 0.00 60.65 62.95 2k3x s ILE 56 Cb -0.26 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 2k3x s ILE 56 CO 0.31 -0.03 1.20 -0.54 0.00 0.00 0.00 174.94 175.89 2k3x s LYS 57 N 2.46 3.92 -0.09 2.79 1.02 -1.26 -3.73 119.74 124.85 2k3x s LYS 57 Ca 0.56 1.90 -0.35 0.00 0.02 0.00 0.00 55.97 58.10 2k3x s LYS 57 Cb -0.24 -2.60 -0.13 0.00 -0.52 0.00 0.00 37.83 34.34 2k3x s LYS 57 CO 0.21 -0.45 1.83 -2.30 -0.92 0.00 0.00 175.35 173.71 2k3x n PRO 58 N -0.11 2.03 -4.03 -1.68 -0.02 -1.23 -4.80 135.00 125.15 2k3x n PRO 58 Ca 0.05 0.74 -0.09 0.00 -2.02 0.00 0.00 63.50 62.19 2k3x n PRO 58 Cb 0.46 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.28 2k3x n PRO 58 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2k3x s GLN 59 N 3.65 0.46 0.41 -0.52 -0.21 -1.26 -4.96 119.66 117.22 2k3x s GLN 59 Ca 0.92 -0.87 -0.23 0.00 0.02 0.00 0.00 55.36 55.20 2k3x s GLN 59 Cb -0.74 0.10 -0.12 0.00 1.00 0.00 0.00 33.01 33.24 2k3x s GLN 59 CO 0.52 -0.06 0.63 1.63 -2.12 0.00 0.00 175.29 175.89 2k3x n LYS 60 N 0.99 0.68 -4.51 2.91 5.02 -1.26 -4.28 118.16 117.71 2k3x n LYS 60 Ca -0.20 0.25 -0.24 0.00 -2.02 0.00 0.00 58.31 56.10 2k3x n LYS 60 Cb 0.57 -1.58 -0.11 0.00 -0.02 0.00 0.00 35.03 33.90 2k3x n LYS 60 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k3x s LEU 61 N 1.42 2.39 0.00 -0.35 0.20 -1.26 -4.94 118.68 116.13 2k3x s LEU 61 Ca 0.63 -1.40 0.00 0.00 0.69 0.00 0.00 54.13 54.05 2k3x s LEU 61 Cb -0.61 -0.54 0.00 0.00 -0.43 0.00 0.00 46.19 44.61 2k3x s LEU 61 CO 0.58 -0.58 0.00 0.61 -0.29 0.00 0.00 176.35 176.67 2k3x n GLY 62 N -0.80 1.70 0.22 7.98 0.00 -1.26 -4.98 105.19 108.04 2k3x n GLY 62 Ca -0.04 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.05 2k3x n GLY 62 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2k3x h GLU 63 N 0.00 0.00 0.00 1.61 4.11 -2.02 -3.43 114.58 114.84 2k3x h GLU 63 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k3x h GLU 63 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k3x h GLU 63 CO 0.00 0.26 0.00 -3.47 0.07 0.00 0.00 179.01 175.87 2k3x n ASP 64 N -3.59 0.00 -0.84 3.06 2.03 -1.26 -5.00 116.55 110.95 2k3x n ASP 64 Ca -0.01 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.35 2k3x n ASP 64 Cb 0.40 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 40.98 2k3x n ASP 64 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k3x n GLU 65 N -0.33 2.18 -1.65 -0.67 0.00 -1.26 -4.99 120.64 113.91 2k3x n GLU 65 Ca 0.00 -1.41 -0.63 0.00 0.00 0.00 0.00 57.16 55.13 2k3x n GLU 65 Cb 0.00 -1.46 -0.09 0.00 0.00 0.00 0.00 31.44 29.88 2k3x n GLU 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2k3x n SER 66 N 0.51 1.58 -4.77 -1.84 7.64 -1.26 -4.87 113.62 110.61 2k3x n SER 66 Ca 0.13 1.04 -0.40 0.00 1.01 0.00 0.00 58.87 60.65 2k3x n SER 66 Cb 0.43 -0.99 -0.03 0.00 -1.01 0.00 0.00 64.21 62.62 2k3x n SER 66 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2k3x s ILE 67 N 3.85 3.01 0.44 0.44 -0.00 -1.26 -5.03 121.20 122.64 2k3x s ILE 67 Ca 1.05 0.97 -0.21 0.00 -0.00 0.00 0.00 60.65 62.46 2k3x s ILE 67 Cb -1.33 -3.60 -0.10 0.00 -0.00 0.00 0.00 42.46 37.43 2k3x s ILE 67 CO 0.73 0.20 0.98 -2.16 -0.00 0.00 0.00 174.94 174.69 2k3x s PRO 68 N -1.84 4.11 0.62 0.37 0.04 -1.26 -4.95 135.00 132.09 2k3x s PRO 68 Ca 0.50 1.22 0.33 0.00 0.04 0.00 0.00 61.00 63.09 2k3x s PRO 68 Cb -0.36 -2.20 1.86 0.00 0.04 0.00 0.00 34.50 33.85 2k3x s PRO 68 CO 0.46 -0.14 2.17 0.93 0.04 0.00 0.00 177.00 180.46 2k3x h GLU 69 N 1.89 0.00 -0.86 4.56 5.08 -1.99 -2.11 114.58 121.15 2k3x h GLU 69 Ca -0.49 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.00 2k3x h GLU 69 Cb 1.19 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.38 2k3x h GLU 69 CO 0.61 0.00 0.56 0.93 -1.00 0.00 0.00 179.01 180.11 2k3x h GLU 70 N 0.00 0.67 0.00 2.33 4.39 -2.04 -3.13 114.58 116.80 2k3x h GLU 70 Ca 0.04 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2k3x h GLU 70 Cb 0.32 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2k3x h GLU 70 CO -0.00 0.44 -1.77 0.44 -1.16 0.00 0.00 179.01 176.96 2k3x n ILE 71 N -4.54 0.47 -0.34 3.13 -5.35 -0.81 -4.72 119.36 107.20 2k3x n ILE 71 Ca 0.16 -0.44 0.18 0.00 -0.27 0.00 0.00 62.75 62.38 2k3x n ILE 71 Cb 0.44 -0.27 0.41 0.00 -1.74 0.00 0.00 39.64 38.48 2k3x n ILE 71 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 2k3x h ILE 72 N 0.00 0.60 0.00 7.28 2.04 -1.45 -1.38 117.51 124.60 2k3x h ILE 72 Ca -0.19 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2k3x h ILE 72 Cb 1.25 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2k3x h ILE 72 CO 0.01 0.11 0.00 -0.46 0.00 0.00 0.00 178.15 177.81 2k3x n ASN 73 N -4.75 0.00 -3.52 1.72 0.23 -1.26 -4.16 115.26 103.52 2k3x n ASN 73 Ca 0.25 -0.43 -0.15 0.00 -0.53 0.00 0.00 54.58 53.72 2k3x n ASN 73 Cb 0.72 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.36 2k3x n ASN 73 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 2k3x s GLY 74 N -1.87 1.69 -0.11 4.83 0.00 -0.52 -4.95 107.32 106.39 2k3x s GLY 74 Ca 0.08 -1.69 -0.37 0.00 0.00 0.00 0.00 44.72 42.74 2k3x s GLY 74 CO 0.06 -1.20 1.68 0.28 0.00 0.00 0.00 173.10 173.92 2k3x n LYS 75 N -0.51 1.55 -5.14 2.90 4.76 -1.26 -4.49 118.16 115.96 2k3x n LYS 75 Ca 0.03 0.56 -0.31 0.00 -2.87 0.00 0.00 58.31 55.73 2k3x n LYS 75 Cb 0.63 -2.29 -0.15 0.00 -1.84 0.00 0.00 35.03 31.37 2k3x n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k3x s PHE 77 N -0.69 2.58 -0.27 0.00 0.08 -0.31 -0.50 117.98 118.87 2k3x s PHE 77 Ca 0.11 -1.79 -0.29 0.00 0.12 0.00 0.00 56.93 55.08 2k3x s PHE 77 Cb -0.10 -1.68 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 2k3x s PHE 77 CO 0.00 -0.78 1.75 0.12 -0.10 0.00 0.00 175.22 176.21 2k3x s PHE 78 N 1.34 1.88 0.07 0.36 5.36 -0.29 -1.64 117.98 125.05 2k3x s PHE 78 Ca -0.04 0.55 0.09 0.00 -0.96 0.00 0.00 56.93 56.57 2k3x s PHE 78 Cb -0.18 -4.08 -0.03 0.00 -0.34 0.00 0.00 43.02 38.40 2k3x s PHE 78 CO -0.07 -3.09 -0.25 0.96 -1.46 0.00 0.00 175.22 171.31 2k3x s ILE 79 N 6.20 2.03 -0.46 3.12 -4.36 -0.25 -0.79 121.20 126.70 2k3x s ILE 79 Ca 0.78 -1.44 -0.28 0.00 -0.26 0.00 0.00 60.65 59.45 2k3x s ILE 79 Cb -0.25 -1.77 0.03 0.00 1.25 0.00 0.00 42.46 41.73 2k3x s ILE 79 CO 0.32 0.24 1.07 -2.28 0.24 0.00 0.00 174.94 174.54 2k3x s HIS 80 N -0.88 2.87 -0.70 1.37 5.65 -0.58 -1.93 115.29 121.08 2k3x s HIS 80 Ca 0.11 0.66 -0.26 0.00 0.25 0.00 0.00 55.06 55.82 2k3x s HIS 80 Cb -0.10 -4.24 -0.03 0.00 -1.18 0.00 0.00 32.58 27.03 2k3x s HIS 80 CO 0.03 -1.18 1.91 0.71 -0.65 0.00 0.00 174.74 175.56 2k3x s TYR 81 N 4.18 1.69 0.66 3.88 2.02 -1.21 -1.87 117.35 126.71 2k3x s TYR 81 Ca 0.45 0.76 -0.11 0.00 -0.37 0.00 0.00 57.07 57.80 2k3x s TYR 81 Cb -0.08 -4.06 -0.01 0.00 -0.40 0.00 0.00 41.96 37.41 2k3x s TYR 81 CO 0.29 -2.13 1.05 -0.65 -1.57 0.00 0.00 175.55 172.54 2k3x s GLN 82 N 7.08 3.21 0.00 -0.62 -0.21 0.09 -3.22 119.66 125.99 2k3x s GLN 82 Ca 0.69 0.82 0.00 0.00 0.02 0.00 0.00 55.36 56.89 2k3x s GLN 82 Cb -0.11 -2.03 0.00 0.00 1.00 0.00 0.00 33.01 31.87 2k3x s GLN 82 CO 0.14 -0.87 0.00 0.41 -2.12 0.00 0.00 175.29 172.85 2k3x n GLY 83 N -2.41 1.15 3.29 3.09 0.00 -1.26 -3.88 105.19 105.17 2k3x n GLY 83 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 2k3x n GLY 83 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k3x s TRP 84 N -2.96 1.47 0.37 1.61 0.52 -1.20 -5.11 118.94 113.64 2k3x s TRP 84 Ca 0.00 -1.26 -0.28 0.00 0.02 0.00 0.00 56.10 54.58 2k3x s TRP 84 Cb 0.00 -0.82 -0.11 0.00 -1.15 0.00 0.00 33.47 31.39 2k3x s TRP 84 CO 0.00 -0.44 1.48 1.63 0.02 0.00 0.00 176.95 179.64 2k3x n LYS 85 N -0.44 2.65 0.04 4.98 4.76 -1.26 -4.87 118.16 124.01 2k3x n LYS 85 Ca 0.01 0.93 0.03 0.00 -2.87 0.00 0.00 58.31 56.40 2k3x n LYS 85 Cb 0.66 -2.66 0.15 0.00 -1.84 0.00 0.00 35.03 31.35 2k3x n LYS 85 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2k3x n SER 86 N 0.56 0.15 0.28 4.39 7.64 -1.26 -0.87 113.62 124.50 2k3x n SER 86 Ca 0.02 0.57 0.14 0.00 1.01 0.00 0.00 58.87 60.60 2k3x n SER 86 Cb 0.39 -0.59 0.84 0.00 -1.01 0.00 0.00 64.21 63.84 2k3x n SER 86 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k3x h SER 87 N 0.00 0.00 0.00 6.43 0.02 -1.96 -2.10 113.55 115.94 2k3x h SER 87 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3x h SER 87 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k3x h SER 87 CO 0.00 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.48 2k3x n TRP 88 N -4.02 0.00 -1.97 3.45 7.02 -0.05 -4.78 117.44 117.09 2k3x n TRP 88 Ca -0.02 -0.27 -0.36 0.00 -1.02 0.00 0.00 57.50 55.82 2k3x n TRP 88 Cb 0.11 -0.18 -0.03 0.00 -2.42 0.00 0.00 31.31 28.79 2k3x n TRP 88 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 2k3x s ASP 89 N 0.54 5.12 0.01 -0.99 1.01 -0.79 -3.29 116.67 118.28 2k3x s ASP 89 Ca 0.00 0.31 -0.01 0.00 0.71 0.00 0.00 52.55 53.56 2k3x s ASP 89 Cb 0.00 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 2k3x s ASP 89 CO 0.00 -2.51 0.01 -0.70 0.21 0.00 0.00 175.17 172.18 2k3x s GLU 90 N 7.23 0.23 0.60 8.23 2.12 -0.82 -4.91 118.70 131.39 2k3x s GLU 90 Ca 0.72 -0.36 -0.13 0.00 0.36 0.00 0.00 54.97 55.56 2k3x s GLU 90 Cb -0.12 0.09 -0.04 0.00 0.26 0.00 0.00 34.13 34.31 2k3x s GLU 90 CO 0.19 -0.04 1.02 -1.58 -0.54 0.00 0.00 175.26 174.31 2k3x s TRP 91 N -0.94 3.47 0.04 5.30 0.52 -1.26 -1.10 118.94 124.97 2k3x s TRP 91 Ca -0.10 1.37 -0.00 0.00 0.02 0.00 0.00 56.10 57.39 2k3x s TRP 91 Cb -0.06 -2.78 -0.03 0.00 -1.15 0.00 0.00 33.47 29.45 2k3x s TRP 91 CO -0.00 -0.71 -0.03 0.14 0.02 0.00 0.00 176.95 176.36 2k3x s VAL 92 N -2.96 0.21 0.60 4.03 -7.23 -0.65 -4.93 120.40 109.46 2k3x s VAL 92 Ca 0.57 -1.38 -0.01 0.00 -1.81 0.00 0.00 61.98 59.35 2k3x s VAL 92 Cb -0.11 -0.92 0.04 0.00 0.56 0.00 0.00 36.38 35.95 2k3x s VAL 92 CO 0.47 -0.74 0.85 -0.83 -0.31 0.00 0.00 175.10 174.54 2k3x s GLY 93 N -2.21 1.78 0.56 2.32 0.00 -1.26 -1.16 107.32 107.34 2k3x s GLY 93 Ca -0.04 -1.19 0.32 0.00 0.00 0.00 0.00 44.72 43.81 2k3x s GLY 93 CO -0.05 -0.87 2.10 -1.82 0.00 0.00 0.00 173.10 172.46 2k3x h TYR 94 N -0.13 0.00 -0.26 1.90 5.03 -1.80 -0.18 116.97 121.53 2k3x h TYR 94 Ca -0.43 0.00 0.07 0.00 2.58 0.00 0.00 58.73 60.96 2k3x h TYR 94 Cb 1.30 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.57 2k3x h TYR 94 CO 0.36 0.07 0.20 0.22 -1.32 0.00 0.00 178.16 177.69 2k3x h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.94 -3.18 116.42 112.77 2k3x h ASP 95 Ca -0.00 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.09 2k3x h ASP 95 Cb 0.33 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.31 2k3x h ASP 95 CO 0.01 0.00 -2.32 0.54 -2.88 0.00 0.00 179.24 174.58 2k3x n ARG 96 N -4.27 0.57 -4.16 0.28 5.12 -0.19 -4.93 116.66 109.08 2k3x n ARG 96 Ca 0.03 0.15 -0.24 0.00 -1.93 0.00 0.00 57.85 55.86 2k3x n ARG 96 Cb 0.36 -1.45 -0.06 0.00 -1.16 0.00 0.00 32.46 30.15 2k3x n ARG 96 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 2k3x s ILE 97 N -2.46 4.13 0.05 0.55 2.07 -0.57 -1.09 121.20 123.88 2k3x s ILE 97 Ca -0.32 -1.41 -0.03 0.00 -1.41 0.00 0.00 60.65 57.49 2k3x s ILE 97 Cb 0.09 -3.16 -0.03 0.00 0.13 0.00 0.00 42.46 39.49 2k3x s ILE 97 CO 0.52 -0.23 0.02 -0.13 -1.91 0.00 0.00 174.94 173.20 2k3x s ARG 98 N -3.41 0.60 1.08 3.50 0.52 -0.41 -4.59 118.95 116.25 2k3x s ARG 98 Ca 0.31 -1.05 -0.17 0.00 -0.52 0.00 0.00 55.73 54.31 2k3x s ARG 98 Cb -0.09 0.22 0.23 0.00 0.52 0.00 0.00 34.95 35.84 2k3x s ARG 98 CO 0.22 -0.13 1.16 0.00 0.02 0.00 0.00 175.30 176.57 2k3x s ALA 99 N -3.43 1.20 0.02 2.13 0.00 -1.20 -0.87 121.76 119.62 2k3x s ALA 99 Ca 0.02 -0.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 2k3x s ALA 99 Cb 0.04 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.19 2k3x s ALA 99 CO -0.08 -3.04 1.41 -0.47 0.00 0.00 0.00 175.76 173.58 2k3x s TYR 100 N -3.25 2.91 0.13 0.00 5.04 1.00 -4.51 117.35 118.66 2k3x s TYR 100 Ca 0.70 0.82 -0.26 0.00 -2.44 0.00 0.00 57.07 55.89 2k3x s TYR 100 Cb -0.10 -3.68 0.07 0.00 0.35 0.00 0.00 41.96 38.60 2k3x s TYR 100 CO 0.55 -2.49 0.96 0.54 -1.34 0.00 0.00 175.55 173.77 2k3x s ASN 101 N 1.77 -0.20 0.38 4.32 2.20 -1.26 -4.51 114.94 117.64 2k3x s ASN 101 Ca 0.64 -0.34 0.05 0.00 -0.94 0.00 0.00 52.86 52.27 2k3x s ASN 101 Cb -0.33 0.46 0.74 0.00 -2.00 0.00 0.00 41.25 40.13 2k3x s ASN 101 CO 0.28 -0.84 2.03 -0.08 -2.94 0.00 0.00 177.10 175.54 2k3x h GLU 102 N 2.00 0.70 -0.07 3.55 4.81 -1.94 -0.32 114.58 123.31 2k3x h GLU 102 Ca -0.24 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.87 2k3x h GLU 102 Cb 1.23 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2k3x h GLU 102 CO 0.26 0.46 -0.30 1.49 -0.73 0.00 0.00 179.01 180.19 2k3x h GLU 103 N 0.72 0.12 0.00 1.92 4.81 -1.97 0.16 114.58 120.34 2k3x h GLU 103 Ca 0.20 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2k3x h GLU 103 Cb -0.06 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2k3x h GLU 103 CO -0.05 0.42 -0.54 -0.91 -0.73 0.00 0.00 179.01 177.20 2k3x h ASN 104 N 0.11 0.00 0.99 1.04 2.35 -1.44 -1.41 115.58 117.22 2k3x h ASN 104 Ca 0.02 -0.09 -0.18 0.00 -0.55 0.00 0.00 56.30 55.50 2k3x h ASN 104 Cb 0.60 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 2k3x h ASN 104 CO 0.04 0.04 -1.07 0.40 -1.65 0.00 0.00 177.43 175.20 2k3x h ILE 105 N 0.00 0.98 -0.30 2.81 5.03 -0.92 -0.09 117.51 125.02 2k3x h ILE 105 Ca 0.00 -2.54 -0.08 0.00 -0.12 0.00 0.00 64.86 62.12 2k3x h ILE 105 Cb 0.86 2.42 -0.01 0.00 -3.03 0.00 0.00 36.82 37.07 2k3x h ILE 105 CO 0.00 0.56 -0.12 0.00 -0.68 0.00 0.00 178.15 177.91 2k3x h ALA 106 N 1.27 0.42 -0.70 1.87 0.00 -0.53 0.27 119.26 121.86 2k3x h ALA 106 Ca -0.09 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2k3x h ALA 106 Cb 1.64 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 2k3x h ALA 106 CO 0.08 0.29 0.22 0.00 0.00 0.00 0.00 179.25 179.83 2k3x h MET 107 N 0.37 1.09 0.36 0.00 -0.00 -1.31 -1.55 114.93 113.90 2k3x h MET 107 Ca 0.07 -0.24 -0.01 0.00 -0.00 0.00 0.00 59.70 59.53 2k3x h MET 107 Cb 0.63 -0.16 -0.02 0.00 -0.00 0.00 0.00 31.60 32.05 2k3x h MET 107 CO 0.04 0.94 -0.42 -0.22 -0.00 0.00 0.00 176.91 177.25 2k3x h LYS 108 N 1.03 -0.77 -0.48 -0.10 1.63 -0.76 -1.44 116.57 115.68 2k3x h LYS 108 Ca 0.23 0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 60.00 2k3x h LYS 108 Cb 0.31 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 2k3x h LYS 108 CO -0.01 -0.51 -0.01 1.57 -3.45 0.00 0.00 179.45 177.04 2k3x h LYS 109 N -0.80 0.80 -0.50 1.90 2.10 -0.87 0.14 116.57 119.34 2k3x h LYS 109 Ca -0.04 -0.22 -0.12 0.00 -2.00 0.00 0.00 60.65 58.26 2k3x h LYS 109 Cb 0.71 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.93 2k3x h LYS 109 CO -0.09 0.81 -0.15 0.07 -2.00 0.00 0.00 179.45 178.10 2k3x h ARG 110 N 0.74 0.99 -0.44 0.07 -0.00 -1.24 -2.81 114.38 111.70 2k3x h ARG 110 Ca 0.14 -0.39 -0.09 0.00 -0.00 0.00 0.00 59.98 59.64 2k3x h ARG 110 Cb 0.47 -0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 30.38 2k3x h ARG 110 CO 0.02 1.07 -0.08 -0.07 -0.00 0.00 0.00 179.97 180.92 2k3x h LEU 111 N 0.86 0.83 -1.89 0.08 3.38 -0.85 -3.01 115.31 114.71 2k3x h LEU 111 Ca 0.12 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2k3x h LEU 111 Cb 0.72 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2k3x h LEU 111 CO 0.06 0.98 0.06 0.00 0.09 0.00 0.00 178.44 179.63 2k3x h ALA 112 N 0.87 1.04 0.00 1.53 0.00 -0.52 0.16 119.26 122.35 2k3x h ALA 112 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2k3x h ALA 112 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k3x h ALA 112 CO 0.04 -0.04 -0.24 -2.95 0.00 0.00 0.00 179.25 176.06 2k3x h ASN 113 N 0.00 0.00 0.03 0.00 7.08 -1.36 -3.12 115.58 118.21 2k3x h ASN 113 Ca 0.00 0.00 -0.17 0.00 -3.08 0.00 0.00 56.30 53.05 2k3x h ASN 113 Cb 0.11 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.37 2k3x h ASN 113 CO 0.00 0.24 -0.68 0.25 -2.08 0.00 0.00 177.43 175.15 2k3x h LEU 114 N 0.00 0.55 0.00 6.14 5.85 -0.85 -3.53 115.31 123.47 2k3x h LEU 114 Ca -0.00 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 57.92 2k3x h LEU 114 Cb 0.46 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.32 2k3x h LEU 114 CO 0.03 1.28 0.00 1.21 -0.34 0.00 0.00 178.44 180.62