#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3x n VAL 2 N 0.00 0.41 -1.60 2.03 0.24 -1.26 -4.83 118.33 113.31 2k3x n VAL 2 Ca 0.00 0.10 -0.47 0.00 -2.04 0.00 0.00 64.34 61.93 2k3x n VAL 2 Cb 0.00 -0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 31.54 2k3x n VAL 2 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k3x n ASP 3 N -1.26 1.68 -1.61 -1.34 2.03 -1.26 -0.61 116.55 114.18 2k3x n ASP 3 Ca 0.09 1.15 -0.16 0.00 0.52 0.00 0.00 54.79 56.40 2k3x n ASP 3 Cb 0.14 -1.29 -0.06 0.00 -0.72 0.00 0.00 41.12 39.20 2k3x n ASP 3 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2k3x n LEU 4 N 1.84 -1.19 0.00 -2.67 7.94 -1.26 -4.71 117.00 116.94 2k3x n LEU 4 Ca 0.13 0.34 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 2k3x n LEU 4 Cb 0.28 -2.30 0.00 0.00 0.53 0.00 0.00 43.42 41.93 2k3x n LEU 4 CO 0.61 -0.71 -0.18 1.21 -1.11 0.00 0.00 177.39 177.21 2k3x n GLU 5 N -2.17 0.81 0.10 1.96 2.13 -0.24 -4.73 120.64 118.49 2k3x n GLU 5 Ca -0.16 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.67 2k3x n GLU 5 Cb 0.53 -0.68 0.32 0.00 0.27 0.00 0.00 31.44 31.88 2k3x n GLU 5 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2k3x h GLN 6 N 0.00 0.27 -7.01 5.31 4.15 -1.08 -3.38 115.11 113.38 2k3x h GLN 6 Ca 0.00 -0.08 -0.51 0.00 0.77 0.00 0.00 58.65 58.83 2k3x h GLN 6 Cb 0.37 -0.03 0.07 0.00 0.21 0.00 0.00 27.48 28.11 2k3x h GLN 6 CO 0.00 0.47 0.51 -1.21 -1.93 0.00 0.00 178.83 176.67 2k3x s GLU 7 N -4.56 3.68 0.48 1.69 2.02 -1.26 -4.10 118.70 116.64 2k3x s GLU 7 Ca -0.05 1.86 -0.23 0.00 0.02 0.00 0.00 54.97 56.57 2k3x s GLU 7 Cb 0.15 -2.40 -0.08 0.00 0.10 0.00 0.00 34.13 31.89 2k3x s GLU 7 CO 0.75 -0.64 1.06 1.97 0.02 0.00 0.00 175.26 178.42 2k3x n PHE 8 N -0.54 1.31 -4.31 1.61 -1.74 -1.26 -4.67 117.46 107.86 2k3x n PHE 8 Ca 0.08 0.50 -0.19 0.00 -0.56 0.00 0.00 57.45 57.27 2k3x n PHE 8 Cb 0.47 -2.24 -0.15 0.00 1.52 0.00 0.00 39.48 39.08 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 -1.34 0.74 -1.15 1.98 0.00 -1.26 -4.99 121.76 115.74 2k3x s ALA 9 Ca 0.67 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.39 2k3x s ALA 9 Cb -0.50 -0.29 0.13 0.00 0.00 0.00 0.00 23.12 22.46 2k3x s ALA 9 CO 0.54 0.11 1.02 1.47 0.00 0.00 0.00 175.76 178.90 2k3x n LEU 10 N 3.32 0.00 -1.35 0.00 -0.00 -1.26 -0.83 117.00 116.89 2k3x n LEU 10 Ca -0.18 0.43 0.03 0.00 -0.00 0.00 0.00 56.01 56.29 2k3x n LEU 10 Cb 0.55 -0.43 0.02 0.00 -0.00 0.00 0.00 43.42 43.56 2k3x n LEU 10 CO 0.25 -0.39 0.09 0.61 -0.00 0.00 0.00 177.39 177.95 2k3x n GLY 11 N -1.16 0.94 3.94 1.47 0.00 -1.26 -3.70 105.19 105.42 2k3x n GLY 11 Ca 0.01 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.86 1.74 0.53 -0.02 0.00 -0.01 -4.96 107.32 102.74 2k3x s GLY 12 Ca 0.29 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.84 2k3x s GLY 12 CO -0.14 -0.51 0.77 0.50 0.00 0.00 0.00 173.10 173.72 2k3x s ARG 13 N -5.66 2.76 0.35 2.90 0.52 -1.26 -3.13 118.95 115.42 2k3x s ARG 13 Ca 0.69 -0.53 -0.10 0.00 -0.52 0.00 0.00 55.73 55.27 2k3x s ARG 13 Cb -0.06 -2.46 0.03 0.00 0.52 0.00 0.00 34.95 32.97 2k3x s ARG 13 CO 0.50 -0.59 0.62 0.00 0.02 0.00 0.00 175.30 175.86 2k3x s LEU 15 N -3.13 0.25 -0.14 0.00 1.43 -0.03 -0.41 118.68 116.65 2k3x s LEU 15 Ca 0.22 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 2k3x s LEU 15 Cb -0.03 0.49 0.02 0.00 0.03 0.00 0.00 46.19 46.71 2k3x s LEU 15 CO 0.15 -0.19 -0.13 0.00 0.23 0.00 0.00 176.35 176.41 2k3x s ALA 16 N 1.72 1.75 0.49 4.21 0.00 -0.40 -1.41 121.76 128.12 2k3x s ALA 16 Ca -0.04 -0.84 -0.20 0.00 0.00 0.00 0.00 51.96 50.88 2k3x s ALA 16 Cb -0.11 -1.03 -0.08 0.00 0.00 0.00 0.00 23.12 21.89 2k3x s ALA 16 CO -0.07 -0.40 1.04 -0.06 0.00 0.00 0.00 175.76 176.27 2k3x s PHE 17 N 1.53 2.99 0.00 0.00 0.08 -0.13 -1.46 117.98 120.99 2k3x s PHE 17 Ca 0.05 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.67 2k3x s PHE 17 Cb -0.13 -3.07 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 2k3x s PHE 17 CO -0.10 -0.85 0.00 0.72 -0.10 0.00 0.00 175.22 174.88 2k3x n HIS 18 N -1.00 0.00 0.00 0.36 8.25 -0.24 -4.88 115.22 117.71 2k3x n HIS 18 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2k3x n HIS 18 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 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 3.27 1.51 0.34 -1.41 0.00 -1.26 -4.90 105.19 102.74 2k3x n GLY 19 Ca 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.87 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 0.88 0.00 1.61 0.11 -2.04 -3.45 132.00 129.11 2k3x h PRO 20 Ca 0.00 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.02 2k3x h PRO 20 Cb 0.00 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.90 2k3x h PRO 20 CO 0.00 0.58 -0.02 -0.11 -0.21 0.00 0.00 178.00 178.25 2k3x n LEU 21 N -4.67 0.00 -4.40 2.35 7.94 -1.26 -4.99 117.00 111.97 2k3x n LEU 21 Ca 0.17 -0.34 -0.25 0.00 -1.11 0.00 0.00 56.01 54.48 2k3x n LEU 21 Cb 0.33 0.31 -0.11 0.00 0.53 0.00 0.00 43.42 44.47 2k3x n LEU 21 CO 0.27 -0.08 -0.51 -0.32 -1.11 0.00 0.00 177.39 175.64 2k3x s MET 22 N -2.09 1.45 0.05 1.96 -2.45 -1.26 -1.08 119.30 115.88 2k3x s MET 22 Ca 0.03 -1.51 0.03 0.00 -1.25 0.00 0.00 55.69 53.00 2k3x s MET 22 Cb -0.00 -1.67 -0.02 0.00 1.25 0.00 0.00 34.83 34.38 2k3x s MET 22 CO 0.02 0.35 -0.10 0.71 1.05 0.00 0.00 175.02 177.06 2k3x s TYR 23 N -1.87 0.85 0.56 4.11 2.02 -0.54 -4.94 117.35 117.54 2k3x s TYR 23 Ca 0.20 -0.44 -0.20 0.00 -0.37 0.00 0.00 57.07 56.26 2k3x s TYR 23 Cb -0.07 -0.50 -0.05 0.00 -0.40 0.00 0.00 41.96 40.95 2k3x s TYR 23 CO 0.09 -0.03 1.22 -1.21 -1.57 0.00 0.00 175.55 174.06 2k3x s GLU 24 N -1.46 3.16 0.17 -0.62 2.02 -1.26 -1.27 118.70 119.44 2k3x s GLU 24 Ca -0.06 1.88 0.05 0.00 0.02 0.00 0.00 54.97 56.86 2k3x s GLU 24 Cb -0.09 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.01 2k3x s GLU 24 CO 0.01 -1.07 -0.09 0.00 0.02 0.00 0.00 175.26 174.13 2k3x s ALA 25 N -1.54 1.59 -0.30 5.21 0.00 0.45 -0.81 121.76 126.36 2k3x s ALA 25 Ca 0.74 -1.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 2k3x s ALA 25 Cb -0.32 0.12 0.12 0.00 0.00 0.00 0.00 23.12 23.05 2k3x s ALA 25 CO 0.36 -0.11 0.24 0.21 0.00 0.00 0.00 175.76 176.46 2k3x s LYS 26 N -3.76 0.31 0.45 0.00 2.20 -0.54 -1.74 119.74 116.67 2k3x s LYS 26 Ca 0.20 -0.40 -0.25 0.00 -0.36 0.00 0.00 55.97 55.15 2k3x s LYS 26 Cb 0.03 -0.88 -0.08 0.00 -1.51 0.00 0.00 37.83 35.39 2k3x s LYS 26 CO 0.03 -1.05 1.39 0.42 -0.36 0.00 0.00 175.35 175.78 2k3x s ILE 27 N 2.12 2.20 0.06 5.43 1.01 -1.18 -1.54 121.20 129.30 2k3x s ILE 27 Ca 0.10 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.93 2k3x s ILE 27 Cb -0.15 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.22 2k3x s ILE 27 CO -0.30 0.02 0.00 -0.11 0.00 0.00 0.00 174.94 174.55 2k3x n LEU 28 N -0.25 -0.02 -4.40 2.97 0.00 -0.46 -4.21 117.00 110.63 2k3x n LEU 28 Ca 0.06 0.10 -0.36 0.00 0.00 0.00 0.00 56.01 55.81 2k3x n LEU 28 Cb 0.43 0.07 -0.13 0.00 0.00 0.00 0.00 43.42 43.79 2k3x n LEU 28 CO 0.57 -0.53 -0.33 -0.75 0.00 0.00 0.00 177.39 176.36 2k3x s LYS 29 N -2.00 3.55 -0.55 1.96 2.20 -1.15 -4.12 119.74 119.63 2k3x s LYS 29 Ca 0.00 -0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 55.04 2k3x s LYS 29 Cb 0.00 -3.16 0.14 0.00 -1.51 0.00 0.00 37.83 33.31 2k3x s LYS 29 CO 0.00 -0.14 0.36 0.96 -0.36 0.00 0.00 175.35 176.17 2k3x s ILE 30 N 1.42 3.58 0.47 5.43 -0.00 0.04 -1.09 121.20 131.06 2k3x s ILE 30 Ca 0.05 -2.64 -0.21 0.00 -0.00 0.00 0.00 60.65 57.85 2k3x s ILE 30 Cb -0.15 -3.38 -0.08 0.00 -0.00 0.00 0.00 42.46 38.86 2k3x s ILE 30 CO 0.01 -0.81 1.05 0.86 -0.00 0.00 0.00 174.94 176.05 2k3x s TRP 31 N 0.36 3.02 -0.14 1.37 -0.11 0.06 -3.14 118.94 120.35 2k3x s TRP 31 Ca 0.14 1.59 -0.06 0.00 1.22 0.00 0.00 56.10 58.98 2k3x s TRP 31 Cb -0.21 -3.11 0.06 0.00 -1.50 0.00 0.00 33.47 28.70 2k3x s TRP 31 CO -0.04 -0.88 0.31 0.34 -4.62 0.00 0.00 176.95 172.06 2k3x s ASP 32 N -1.84 -0.17 0.00 5.86 -1.08 -1.14 -1.56 116.67 116.74 2k3x s ASP 32 Ca 0.66 0.69 0.08 0.00 -0.52 0.00 0.00 52.55 53.46 2k3x s ASP 32 Cb -0.19 0.69 0.33 0.00 -1.46 0.00 0.00 42.92 42.29 2k3x s ASP 32 CO 0.23 -0.20 1.23 -0.81 0.52 0.00 0.00 175.17 176.14 2k3x n PRO 33 N 4.66 0.01 0.28 4.34 -0.04 -1.26 -2.71 135.00 140.28 2k3x n PRO 33 Ca -0.18 0.36 0.14 0.00 -0.04 0.00 0.00 63.50 63.78 2k3x n PRO 33 Cb 0.52 -1.50 0.84 0.00 -0.04 0.00 0.00 33.50 33.33 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 -1.93 -2.82 113.55 112.36 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 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2k3x h SER 34 CO 0.00 0.05 0.00 -1.54 -1.14 0.00 0.00 176.83 174.20 2k3x n SER 35 N -3.79 0.29 -4.07 3.07 3.41 -1.22 -5.03 113.62 106.28 2k3x n SER 35 Ca -0.03 -0.63 -0.28 0.00 -0.26 0.00 0.00 58.87 57.68 2k3x n SER 35 Cb 0.14 0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.38 2k3x n SER 35 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2k3x n LYS 36 N -0.34 -2.42 -3.73 4.33 5.02 -1.07 -4.99 118.16 114.96 2k3x n LYS 36 Ca 0.00 0.30 -0.15 0.00 -2.02 0.00 0.00 58.31 56.44 2k3x n LYS 36 Cb 0.04 -4.17 -0.06 0.00 -0.02 0.00 0.00 35.03 30.83 2k3x n LYS 36 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2k3x n MET 37 N -4.47 0.36 -2.71 1.97 2.81 -1.25 -4.92 117.12 108.92 2k3x n MET 37 Ca -0.31 -2.58 -0.10 0.00 -1.81 0.00 0.00 57.70 52.89 2k3x n MET 37 Cb 0.69 2.17 -0.02 0.00 -0.71 0.00 0.00 33.22 35.35 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 -0.50 -0.13 -3.53 2.03 0.18 -1.26 -2.87 117.16 111.08 2k3x n TYR 38 Ca 0.05 -0.84 -0.11 0.00 1.88 0.00 0.00 57.90 58.89 2k3x n TYR 38 Cb 0.48 -0.13 -0.04 0.00 -0.38 0.00 0.00 39.34 39.27 2k3x n TYR 38 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2k3x s THR 39 N -1.39 0.00 0.22 -3.48 2.01 -1.19 -3.55 115.64 108.27 2k3x s THR 39 Ca 0.04 0.00 -0.23 0.00 0.31 0.00 0.00 61.69 61.81 2k3x s THR 39 Cb -0.00 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.55 2k3x s THR 39 CO 0.02 0.00 0.86 -0.55 -0.69 0.00 0.00 174.62 174.27 2k3x s SER 40 N -1.83 -0.18 0.09 3.53 0.15 -1.21 -0.78 113.70 113.47 2k3x s SER 40 Ca 0.00 -0.57 -0.04 0.00 0.70 0.00 0.00 55.95 56.04 2k3x s SER 40 Cb -0.01 0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 64.89 2k3x s SER 40 CO -0.03 -1.14 0.09 0.27 1.20 0.00 0.00 173.24 173.63 2k3x s ILE 41 N -3.35 0.16 -1.04 6.45 -5.25 -1.26 -1.31 121.20 115.60 2k3x s ILE 41 Ca 0.13 -1.57 -0.22 0.00 -0.99 0.00 0.00 60.65 58.00 2k3x s ILE 41 Cb -0.03 -1.56 -0.10 0.00 2.95 0.00 0.00 42.46 43.71 2k3x s ILE 41 CO 0.05 -0.74 1.92 -0.81 -1.79 0.00 0.00 174.94 173.58 2k3x n PRO 42 N -0.01 1.72 -1.22 0.37 -0.04 -0.93 -4.76 135.00 130.12 2k3x n PRO 42 Ca -0.12 -2.30 -0.39 0.00 -0.04 0.00 0.00 63.50 60.65 2k3x n PRO 42 Cb 0.62 -3.39 -0.03 0.00 -0.04 0.00 0.00 33.50 30.66 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 11.10 3.81 0.00 3.54 5.15 -1.26 -4.78 115.26 132.81 2k3x n ASN 43 Ca 0.47 -2.64 0.00 0.00 -0.60 0.00 0.00 54.58 51.81 2k3x n ASN 43 Cb 0.44 -1.28 0.00 0.00 -0.53 0.00 0.00 39.78 38.41 2k3x n ASN 43 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k3x n ASP 44 N 6.20 0.00 -3.60 1.20 2.03 -1.26 -4.65 116.55 116.47 2k3x n ASP 44 Ca 0.51 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.72 2k3x n ASP 44 Cb 0.33 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.70 2k3x n ASP 44 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k3x s LYS 45 N 0.00 1.23 0.00 -0.67 1.02 -1.26 -4.56 119.74 115.50 2k3x s LYS 45 Ca 0.00 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.31 2k3x s LYS 45 Cb 0.00 0.52 0.00 0.00 -0.52 0.00 0.00 37.83 37.83 2k3x s LYS 45 CO 0.00 -0.51 0.89 -0.35 -0.92 0.00 0.00 175.35 174.46 2k3x n PRO 46 N -0.31 0.00 -0.05 -1.68 -0.04 -1.26 -4.89 135.00 126.76 2k3x n PRO 46 Ca -0.14 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2k3x n PRO 46 Cb 0.64 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 2k3x n PRO 46 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k3x n GLY 47 N -0.90 0.14 0.53 0.55 0.00 -1.26 -4.75 105.19 99.50 2k3x n GLY 47 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2k3x n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3x n GLY 48 N 0.00 1.38 2.47 -0.02 0.00 -1.26 -4.79 105.19 102.97 2k3x n GLY 48 Ca 0.00 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 2k3x n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k3x n SER 49 N -0.78 7.24 -2.64 1.61 7.64 -1.26 -4.68 113.62 120.76 2k3x n SER 49 Ca -0.01 -2.74 -0.13 0.00 1.01 0.00 0.00 58.87 57.01 2k3x n SER 49 Cb 0.08 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 61.69 2k3x n SER 49 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k3x n SER 50 N 4.00 -0.96 -3.44 6.43 7.64 -1.26 -5.16 113.62 120.87 2k3x n SER 50 Ca 0.68 -2.57 -0.12 0.00 1.01 0.00 0.00 58.87 57.87 2k3x n SER 50 Cb 0.28 1.86 -0.04 0.00 -1.01 0.00 0.00 64.21 65.31 2k3x n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3x s GLN 51 N -2.74 1.83 -0.91 1.43 -2.07 -1.26 -4.44 119.66 111.49 2k3x s GLN 51 Ca 0.25 -1.57 0.00 0.00 -1.82 0.00 0.00 55.36 52.23 2k3x s GLN 51 Cb -0.00 0.47 0.32 0.00 -1.09 0.00 0.00 33.01 32.71 2k3x s GLN 51 CO 0.18 -0.77 1.53 0.00 -1.32 0.00 0.00 175.29 174.90 2k3x n ALA 52 N -0.50 5.54 -1.43 2.60 0.00 -1.26 -4.87 120.51 120.59 2k3x n ALA 52 Ca -0.01 -4.67 -0.59 0.00 0.00 0.00 0.00 53.44 48.17 2k3x n ALA 52 Cb 0.62 -1.81 -0.10 0.00 0.00 0.00 0.00 19.45 18.15 2k3x n ALA 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k3x n THR 53 N 0.13 0.07 -1.68 0.00 -1.04 -1.26 -2.19 114.28 108.31 2k3x n THR 53 Ca 0.40 -0.06 0.03 0.00 -2.04 0.00 0.00 64.05 62.38 2k3x n THR 53 Cb 0.31 -0.80 -0.01 0.00 -1.82 0.00 0.00 70.33 68.01 2k3x n THR 53 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2k3x n LYS 54 N 6.74 -0.38 -1.66 -2.82 5.02 -1.26 -4.39 118.16 119.41 2k3x n LYS 54 Ca 0.45 0.25 -0.39 0.00 -2.02 0.00 0.00 58.31 56.60 2k3x n LYS 54 Cb 0.03 -0.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.54 2k3x n LYS 54 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k3x s GLU 55 N -0.46 2.50 -0.12 1.97 8.01 -1.26 -3.92 118.70 125.41 2k3x s GLU 55 Ca 0.00 1.46 -0.28 0.00 0.01 0.00 0.00 54.97 56.17 2k3x s GLU 55 Cb 0.00 -4.48 -0.01 0.00 -4.31 0.00 0.00 34.13 25.32 2k3x s GLU 55 CO 0.00 -2.83 0.92 0.42 0.01 0.00 0.00 175.26 173.78 2k3x s ILE 56 N 10.52 4.84 0.54 -1.63 1.01 -0.43 -4.97 121.20 131.08 2k3x s ILE 56 Ca 0.93 1.85 -0.18 0.00 0.00 0.00 0.00 60.65 63.26 2k3x s ILE 56 Cb -0.21 -4.23 -0.06 0.00 0.01 0.00 0.00 42.46 37.97 2k3x s ILE 56 CO 0.28 0.03 1.04 -0.54 0.00 0.00 0.00 174.94 175.76 2k3x s LYS 57 N 1.96 3.56 0.13 2.79 1.02 -1.26 -3.36 119.74 124.58 2k3x s LYS 57 Ca 0.44 1.25 -0.35 0.00 0.02 0.00 0.00 55.97 57.34 2k3x s LYS 57 Cb -0.18 -2.07 -0.14 0.00 -0.52 0.00 0.00 37.83 34.92 2k3x s LYS 57 CO 0.16 -0.62 1.54 -2.30 -0.92 0.00 0.00 175.35 173.21 2k3x n PRO 58 N -1.56 1.93 -3.87 -1.68 -0.02 -1.23 -4.78 135.00 123.79 2k3x n PRO 58 Ca 0.09 0.70 -0.09 0.00 -2.02 0.00 0.00 63.50 62.17 2k3x n PRO 58 Cb 0.53 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 31.49 2k3x n PRO 58 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2k3x s GLN 59 N 0.96 0.76 0.66 -0.52 2.00 -1.26 -4.99 119.66 117.27 2k3x s GLN 59 Ca 0.81 -0.85 -0.17 0.00 -2.00 0.00 0.00 55.36 53.14 2k3x s GLN 59 Cb -0.74 0.31 -0.05 0.00 0.80 0.00 0.00 33.01 33.33 2k3x s GLN 59 CO 0.40 -0.23 0.63 1.17 -0.50 0.00 0.00 175.29 176.77 2k3x n LYS 60 N 0.26 0.47 -3.48 1.67 4.81 -1.26 -4.22 118.16 116.41 2k3x n LYS 60 Ca -0.16 0.20 -0.13 0.00 -0.87 0.00 0.00 58.31 57.34 2k3x n LYS 60 Cb 0.61 -1.87 -0.05 0.00 0.02 0.00 0.00 35.03 33.74 2k3x n LYS 60 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2k3x n LEU 61 N -0.24 0.00 0.00 3.14 0.00 -1.26 -5.02 117.00 113.62 2k3x n LEU 61 Ca 0.11 -2.06 0.00 0.00 0.00 0.00 0.00 56.01 54.06 2k3x n LEU 61 Cb 0.49 1.01 0.00 0.00 0.00 0.00 0.00 43.42 44.92 2k3x n LEU 61 CO 0.50 -0.34 0.00 0.61 0.00 0.00 0.00 177.39 178.16 2k3x n GLY 62 N -0.29 1.38 0.31 -3.96 0.00 -1.26 -5.02 105.19 96.34 2k3x n GLY 62 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 0.05 1.06 0.00 1.61 4.11 -2.02 -3.41 114.58 115.98 2k3x h GLU 63 Ca 0.00 -0.21 -0.10 0.00 0.07 0.00 0.00 59.36 59.12 2k3x h GLU 63 Cb 0.00 -0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.00 2k3x h GLU 63 CO 0.00 0.89 -0.16 -3.47 0.07 0.00 0.00 179.01 176.34 2k3x n ASP 64 N -4.35 -0.86 -1.20 3.06 2.03 -1.26 -5.00 116.55 108.98 2k3x n ASP 64 Ca 0.05 -1.68 0.00 0.00 0.52 0.00 0.00 54.79 53.69 2k3x n ASP 64 Cb 0.19 0.39 -0.01 0.00 -0.72 0.00 0.00 41.12 40.98 2k3x n ASP 64 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2k3x n GLU 65 N -0.84 0.00 -1.98 -0.67 2.13 -1.26 -5.10 120.64 112.92 2k3x n GLU 65 Ca -0.11 -1.51 -0.42 0.00 0.66 0.00 0.00 57.16 55.77 2k3x n GLU 65 Cb 0.71 0.08 -0.03 0.00 0.27 0.00 0.00 31.44 32.47 2k3x n GLU 65 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2k3x s SER 66 N -1.51 6.65 0.05 4.31 0.01 -1.26 -4.64 113.70 117.31 2k3x s SER 66 Ca 0.19 2.42 -0.31 0.00 1.31 0.00 0.00 55.95 59.57 2k3x s SER 66 Cb 0.22 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.82 2k3x s SER 66 CO -0.10 -0.86 1.40 0.27 0.41 0.00 0.00 173.24 174.36 2k3x s ILE 67 N 2.57 3.54 0.58 1.44 -0.00 -1.26 -5.02 121.20 123.05 2k3x s ILE 67 Ca 0.72 1.03 -0.20 0.00 -0.00 0.00 0.00 60.65 62.19 2k3x s ILE 67 Cb -0.38 -3.66 -0.04 0.00 -0.00 0.00 0.00 42.46 38.38 2k3x s ILE 67 CO 0.31 0.04 1.32 -2.84 -0.00 0.00 0.00 174.94 173.77 2k3x s PRO 68 N 1.82 2.95 0.59 0.37 0.02 -1.26 -4.85 135.00 134.64 2k3x s PRO 68 Ca 0.64 2.13 0.29 0.00 0.02 0.00 0.00 61.00 64.09 2k3x s PRO 68 Cb -0.34 -2.10 1.68 0.00 0.02 0.00 0.00 34.50 33.76 2k3x s PRO 68 CO 0.28 -1.31 2.11 0.93 -0.33 0.00 0.00 177.00 178.69 2k3x h GLU 69 N 1.13 0.00 -0.84 5.54 5.08 -1.99 -1.48 114.58 122.02 2k3x h GLU 69 Ca -0.51 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 57.98 2k3x h GLU 69 Cb 1.31 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.50 2k3x h GLU 69 CO 0.56 0.00 0.55 1.49 -1.00 0.00 0.00 179.01 180.61 2k3x h GLU 70 N 0.00 0.63 0.00 2.33 4.81 -2.04 -3.14 114.58 117.18 2k3x h GLU 70 Ca 0.08 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 59.07 2k3x h GLU 70 Cb 0.47 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 2k3x h GLU 70 CO -0.00 0.42 -1.90 0.44 -0.73 0.00 0.00 179.01 177.24 2k3x n ILE 71 N -4.53 0.77 -0.34 2.32 -5.35 -0.59 -4.71 119.36 106.92 2k3x n ILE 71 Ca 0.16 -0.54 0.17 0.00 -0.27 0.00 0.00 62.75 62.26 2k3x n ILE 71 Cb 0.44 -0.48 0.39 0.00 -1.74 0.00 0.00 39.64 38.25 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 -1.41 -1.66 117.51 124.37 2k3x h ILE 72 Ca -0.30 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2k3x h ILE 72 Cb 1.63 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2k3x h ILE 72 CO 0.02 0.11 0.00 -0.46 0.00 0.00 0.00 178.15 177.82 2k3x n ASN 73 N -4.79 0.00 -3.64 1.72 0.23 -1.26 -4.10 115.26 103.43 2k3x n ASN 73 Ca 0.25 -0.46 -0.16 0.00 -0.53 0.00 0.00 54.58 53.68 2k3x n ASN 73 Cb 0.70 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.32 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 -1.94 1.95 0.15 4.83 0.00 -0.62 -4.94 107.32 106.76 2k3x s GLY 74 Ca 0.16 -1.89 -0.34 0.00 0.00 0.00 0.00 44.72 42.64 2k3x s GLY 74 CO 0.12 -1.40 1.35 0.28 0.00 0.00 0.00 173.10 173.45 2k3x n LYS 75 N -0.50 1.50 -4.89 2.90 4.76 -1.26 -4.47 118.16 116.20 2k3x n LYS 75 Ca 0.05 0.54 -0.26 0.00 -2.87 0.00 0.00 58.31 55.77 2k3x n LYS 75 Cb 0.63 -2.16 -0.15 0.00 -1.84 0.00 0.00 35.03 31.51 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 -0.39 3.06 -0.20 0.00 0.08 0.07 -0.76 117.98 119.83 2k3x s PHE 77 Ca 0.06 -2.39 -0.29 0.00 0.12 0.00 0.00 56.93 54.43 2k3x s PHE 77 Cb -0.07 -2.22 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 2k3x s PHE 77 CO -0.00 -0.88 1.72 0.12 -0.10 0.00 0.00 175.22 176.07 2k3x s PHE 78 N 1.16 1.92 0.06 0.36 5.36 -0.25 -1.54 117.98 125.05 2k3x s PHE 78 Ca 0.02 0.45 0.06 0.00 -0.96 0.00 0.00 56.93 56.50 2k3x s PHE 78 Cb -0.19 -4.01 -0.03 0.00 -0.34 0.00 0.00 43.02 38.46 2k3x s PHE 78 CO -0.09 -3.31 -0.18 0.96 -1.46 0.00 0.00 175.22 171.14 2k3x s ILE 79 N 5.50 1.42 -0.34 3.12 -4.36 -0.23 -1.36 121.20 124.95 2k3x s ILE 79 Ca 0.76 -1.26 -0.24 0.00 -0.26 0.00 0.00 60.65 59.65 2k3x s ILE 79 Cb -0.27 -1.29 0.01 0.00 1.25 0.00 0.00 42.46 42.16 2k3x s ILE 79 CO 0.31 -0.00 0.82 -2.28 0.24 0.00 0.00 174.94 174.03 2k3x s HIS 80 N -1.00 3.14 -0.64 1.37 5.65 -0.59 -2.22 115.29 120.99 2k3x s HIS 80 Ca 0.04 0.71 -0.27 0.00 0.25 0.00 0.00 55.06 55.79 2k3x s HIS 80 Cb -0.09 -3.39 -0.01 0.00 -1.18 0.00 0.00 32.58 27.92 2k3x s HIS 80 CO 0.02 -0.69 1.68 0.71 -0.65 0.00 0.00 174.74 175.81 2k3x s TYR 81 N 3.13 1.86 0.60 3.88 2.02 -1.24 -1.46 117.35 126.15 2k3x s TYR 81 Ca 0.33 0.53 -0.16 0.00 -0.37 0.00 0.00 57.07 57.41 2k3x s TYR 81 Cb -0.13 -4.26 -0.03 0.00 -0.40 0.00 0.00 41.96 37.14 2k3x s TYR 81 CO 0.16 -2.24 1.07 -0.65 -1.57 0.00 0.00 175.55 172.31 2k3x s GLN 82 N 6.58 3.23 0.00 -0.62 -0.21 0.01 -2.56 119.66 126.09 2k3x s GLN 82 Ca 0.58 1.25 0.00 0.00 0.02 0.00 0.00 55.36 57.21 2k3x s GLN 82 Cb -0.11 -2.02 0.00 0.00 1.00 0.00 0.00 33.01 31.88 2k3x s GLN 82 CO 0.19 -0.89 0.00 0.41 -2.12 0.00 0.00 175.29 172.89 2k3x n GLY 83 N -0.85 0.46 3.34 3.09 0.00 -1.26 -4.13 105.19 105.83 2k3x n GLY 83 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.30 1.62 0.39 1.61 0.52 -1.06 -5.13 118.94 114.60 2k3x s TRP 84 Ca 0.00 -1.12 -0.27 0.00 0.02 0.00 0.00 56.10 54.73 2k3x s TRP 84 Cb 0.00 -0.98 -0.11 0.00 -1.15 0.00 0.00 33.47 31.24 2k3x s TRP 84 CO 0.00 -0.24 1.42 1.63 0.02 0.00 0.00 176.95 179.77 2k3x n LYS 85 N -0.50 2.41 0.06 4.98 4.76 -1.26 -4.87 118.16 123.74 2k3x n LYS 85 Ca -0.01 0.85 0.04 0.00 -2.87 0.00 0.00 58.31 56.32 2k3x n LYS 85 Cb 0.66 -2.57 0.22 0.00 -1.84 0.00 0.00 35.03 31.51 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 0.36 0.21 0.25 4.39 7.64 -1.26 -0.93 113.62 124.29 2k3x n SER 86 Ca 0.03 0.60 0.17 0.00 1.01 0.00 0.00 58.87 60.68 2k3x n SER 86 Cb 0.39 -0.63 0.90 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.17 6.43 0.02 -1.95 -1.12 113.55 116.76 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 -3.67 0.49 -1.92 3.45 7.02 -0.10 -4.76 117.44 117.95 2k3x n TRP 88 Ca -0.00 -0.18 -0.31 0.00 -1.02 0.00 0.00 57.50 55.99 2k3x n TRP 88 Cb 0.23 -0.15 -0.04 0.00 -2.42 0.00 0.00 31.31 28.93 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 -0.44 4.93 0.01 -0.99 1.01 -0.43 -3.72 116.67 117.05 2k3x s ASP 89 Ca 0.15 0.04 -0.07 0.00 0.71 0.00 0.00 52.55 53.38 2k3x s ASP 89 Cb 0.10 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.49 2k3x s ASP 89 CO 0.06 -2.77 0.13 -0.70 0.21 0.00 0.00 175.17 172.10 2k3x s GLU 90 N 7.44 0.52 0.47 8.23 2.56 -0.94 -4.92 118.70 132.06 2k3x s GLU 90 Ca 0.76 -0.51 -0.16 0.00 0.00 0.00 0.00 54.97 55.06 2k3x s GLU 90 Cb -0.11 0.21 -0.08 0.00 2.00 0.00 0.00 34.13 36.15 2k3x s GLU 90 CO 0.12 -0.13 0.93 -1.58 -0.56 0.00 0.00 175.26 174.04 2k3x s TRP 91 N -1.77 3.43 0.07 5.30 0.52 -1.26 -1.07 118.94 124.17 2k3x s TRP 91 Ca -0.12 1.40 0.03 0.00 0.02 0.00 0.00 56.10 57.43 2k3x s TRP 91 Cb -0.06 -2.73 -0.03 0.00 -1.15 0.00 0.00 33.47 29.51 2k3x s TRP 91 CO -0.00 -0.26 -0.08 0.14 0.02 0.00 0.00 176.95 176.76 2k3x s VAL 92 N -2.48 0.71 0.60 4.03 -7.23 -0.59 -4.91 120.40 110.52 2k3x s VAL 92 Ca 0.58 -1.46 -0.05 0.00 -1.81 0.00 0.00 61.98 59.24 2k3x s VAL 92 Cb -0.10 -1.11 0.02 0.00 0.56 0.00 0.00 36.38 35.75 2k3x s VAL 92 CO 0.28 -0.55 0.89 -0.83 -0.31 0.00 0.00 175.10 174.58 2k3x s GLY 93 N -2.20 1.64 0.66 2.32 0.00 -1.26 -0.75 107.32 107.72 2k3x s GLY 93 Ca 0.00 -0.84 0.38 0.00 0.00 0.00 0.00 44.72 44.27 2k3x s GLY 93 CO -0.01 -0.54 2.19 -1.82 0.00 0.00 0.00 173.10 172.92 2k3x h TYR 94 N -0.18 0.00 -1.03 1.90 5.03 -1.76 -0.87 116.97 120.05 2k3x h TYR 94 Ca -0.45 0.00 0.30 0.00 2.58 0.00 0.00 58.73 61.16 2k3x h TYR 94 Cb 1.27 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.51 2k3x h TYR 94 CO 0.43 0.00 0.86 0.22 -1.32 0.00 0.00 178.16 178.35 2k3x h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.93 -3.26 116.42 112.70 2k3x h ASP 95 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2k3x h ASP 95 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2k3x h ASP 95 CO -0.00 0.00 -0.06 -2.11 -2.88 0.00 0.00 179.24 174.19 2k3x n ARG 96 N -3.90 3.05 -4.02 0.28 1.85 -0.44 -5.03 116.66 108.46 2k3x n ARG 96 Ca 0.22 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.82 2k3x n ARG 96 Cb 1.20 -0.31 -0.04 0.00 -1.05 0.00 0.00 32.46 32.26 2k3x n ARG 96 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 2k3x s ILE 97 N -0.19 4.90 0.06 8.89 2.07 -0.59 -0.95 121.20 135.38 2k3x s ILE 97 Ca 0.00 -0.94 -0.03 0.00 -1.41 0.00 0.00 60.65 58.27 2k3x s ILE 97 Cb 0.00 -3.54 -0.03 0.00 0.13 0.00 0.00 42.46 39.02 2k3x s ILE 97 CO 0.00 -0.15 0.02 -0.13 -1.91 0.00 0.00 174.94 172.77 2k3x s ARG 98 N -3.32 0.64 1.05 3.50 0.52 -0.50 -4.54 118.95 116.30 2k3x s ARG 98 Ca 0.33 -1.11 -0.14 0.00 -0.52 0.00 0.00 55.73 54.30 2k3x s ARG 98 Cb -0.10 0.23 0.21 0.00 0.52 0.00 0.00 34.95 35.81 2k3x s ARG 98 CO 0.26 -0.14 1.09 0.00 0.02 0.00 0.00 175.30 176.54 2k3x s ALA 99 N -3.70 0.79 -0.03 2.13 0.00 -1.26 -0.85 121.76 118.84 2k3x s ALA 99 Ca 0.05 -0.48 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 2k3x s ALA 99 Cb 0.06 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 2k3x s ALA 99 CO -0.09 -3.04 1.38 -0.47 0.00 0.00 0.00 175.76 173.54 2k3x s TYR 100 N -2.96 2.81 0.14 0.00 5.04 0.66 -4.54 117.35 118.49 2k3x s TYR 100 Ca 0.66 0.83 -0.25 0.00 -2.44 0.00 0.00 57.07 55.87 2k3x s TYR 100 Cb -0.17 -3.64 0.07 0.00 0.35 0.00 0.00 41.96 38.57 2k3x s TYR 100 CO 0.58 -2.34 0.90 0.54 -1.34 0.00 0.00 175.55 173.89 2k3x s ASN 101 N 1.99 -0.24 0.38 4.32 2.20 -1.26 -4.46 114.94 117.85 2k3x s ASN 101 Ca 0.63 -0.33 0.10 0.00 -0.94 0.00 0.00 52.86 52.32 2k3x s ASN 101 Cb -0.29 0.50 0.74 0.00 -2.00 0.00 0.00 41.25 40.19 2k3x s ASN 101 CO 0.25 -0.90 1.87 -0.33 -2.94 0.00 0.00 177.10 175.05 2k3x h GLU 102 N 2.00 0.18 -0.32 3.55 5.08 -1.98 -0.51 114.58 122.59 2k3x h GLU 102 Ca -0.24 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 57.95 2k3x h GLU 102 Cb 1.24 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2k3x h GLU 102 CO 0.27 0.40 -0.30 1.49 -1.00 0.00 0.00 179.01 179.86 2k3x h GLU 103 N 0.17 0.67 0.00 2.33 4.81 -1.98 0.48 114.58 121.06 2k3x h GLU 103 Ca 0.03 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 2k3x h GLU 103 Cb 0.48 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2k3x h GLU 103 CO 0.03 0.89 -0.21 -0.91 -0.73 0.00 0.00 179.01 178.08 2k3x h ASN 104 N 0.57 0.00 0.77 1.04 2.35 -1.65 -1.50 115.58 117.16 2k3x h ASN 104 Ca 0.07 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.65 2k3x h ASN 104 Cb 0.80 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 2k3x h ASN 104 CO 0.07 0.21 -0.77 0.40 -1.65 0.00 0.00 177.43 175.68 2k3x h ILE 105 N 0.00 1.55 -0.62 2.81 1.08 -0.84 0.12 117.51 121.61 2k3x h ILE 105 Ca -0.00 -2.65 -0.05 0.00 -0.39 0.00 0.00 64.86 61.77 2k3x h ILE 105 Cb 1.12 2.43 -0.03 0.00 -3.07 0.00 0.00 36.82 37.27 2k3x h ILE 105 CO 0.03 0.76 0.20 0.00 -0.69 0.00 0.00 178.15 178.44 2k3x h ALA 106 N 1.22 0.81 -0.37 1.87 0.00 -0.40 0.16 119.26 122.55 2k3x h ALA 106 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k3x h ALA 106 Cb 1.37 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2k3x h ALA 106 CO 0.10 0.47 0.24 0.00 0.00 0.00 0.00 179.25 180.07 2k3x h MET 107 N 0.88 0.48 0.51 0.00 -0.00 -1.11 -1.50 114.93 114.19 2k3x h MET 107 Ca 0.20 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.85 2k3x h MET 107 Cb 0.28 -0.11 -0.00 0.00 -0.00 0.00 0.00 31.60 31.77 2k3x h MET 107 CO -0.01 0.32 -0.29 -0.22 -0.00 0.00 0.00 176.91 176.71 2k3x h LYS 108 N 0.50 -0.73 -0.68 -0.10 1.63 -0.24 -0.04 116.57 116.90 2k3x h LYS 108 Ca 0.14 0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.92 2k3x h LYS 108 Cb -0.05 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.71 2k3x h LYS 108 CO -0.03 -0.48 0.15 1.57 -3.45 0.00 0.00 179.45 177.21 2k3x h LYS 109 N -0.75 1.09 -0.86 1.90 2.10 -0.70 0.13 116.57 119.47 2k3x h LYS 109 Ca -0.06 -0.26 -0.03 0.00 -2.00 0.00 0.00 60.65 58.30 2k3x h LYS 109 Cb 0.60 -0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 31.75 2k3x h LYS 109 CO 0.08 0.97 0.44 -0.09 -2.00 0.00 0.00 179.45 178.85 2k3x h ARG 110 N 1.03 1.23 -0.04 0.07 1.12 -1.15 -2.57 114.38 114.08 2k3x h ARG 110 Ca 0.21 -0.17 -0.01 0.00 -1.11 0.00 0.00 59.98 58.91 2k3x h ARG 110 Cb 0.38 -0.23 -0.00 0.00 -0.01 0.00 0.00 29.97 30.11 2k3x h ARG 110 CO 0.00 0.93 -0.00 -0.07 -3.11 0.00 0.00 179.97 177.72 2k3x h LEU 111 N 1.22 0.06 -0.93 3.80 3.38 -0.53 -3.14 115.31 119.18 2k3x h LEU 111 Ca 0.30 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2k3x h LEU 111 Cb 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2k3x h LEU 111 CO -0.04 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.87 2k3x n ALA 112 N -2.28 1.10 0.20 1.53 0.00 0.42 -0.59 120.51 120.88 2k3x n ALA 112 Ca -0.07 0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.54 2k3x n ALA 112 Cb 0.19 -1.23 0.41 0.00 0.00 0.00 0.00 19.45 18.82 2k3x n ALA 112 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2k3x h ASN 113 N 0.00 0.00 -0.00 0.00 2.35 -1.41 -3.11 115.58 113.42 2k3x h ASN 113 Ca 0.00 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.51 2k3x h ASN 113 Cb 0.03 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.42 2k3x h ASN 113 CO 0.00 0.34 -0.89 0.25 -1.65 0.00 0.00 177.43 175.49 2k3x h LEU 114 N 0.00 0.85 0.00 1.61 7.12 -1.02 -3.53 115.31 120.34 2k3x h LEU 114 Ca -0.00 -0.61 0.00 0.00 0.13 0.00 0.00 57.88 57.40 2k3x h LEU 114 Cb 0.68 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 2k3x h LEU 114 CO 0.04 1.41 0.00 1.21 -0.13 0.00 0.00 178.44 180.97