#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3x s VAL 2 N 0.00 0.08 0.55 2.03 0.11 -1.26 -5.05 120.40 116.86 2k3x s VAL 2 Ca 0.00 -0.64 0.34 0.00 -2.93 0.00 0.00 61.98 58.75 2k3x s VAL 2 Cb 0.00 -0.55 0.37 0.00 -1.53 0.00 0.00 36.38 34.67 2k3x s VAL 2 CO 0.00 -0.35 2.24 -0.78 -3.33 0.00 0.00 175.10 172.88 2k3x h ASP 3 N 4.03 0.00 0.39 3.54 3.58 -2.01 -2.12 116.42 123.83 2k3x h ASP 3 Ca -0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2k3x h ASP 3 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2k3x h ASP 3 CO 0.41 0.03 0.00 -0.11 -2.88 0.00 0.00 179.24 176.69 2k3x n LEU 4 N -3.51 0.21 0.16 2.28 7.94 -1.26 -0.77 117.00 122.04 2k3x n LEU 4 Ca -0.03 0.57 0.13 0.00 -1.11 0.00 0.00 56.01 55.57 2k3x n LEU 4 Cb 0.13 -0.55 0.46 0.00 0.53 0.00 0.00 43.42 43.98 2k3x n LEU 4 CO 0.26 -0.45 0.88 -0.33 -1.11 0.00 0.00 177.39 176.64 2k3x h GLU 5 N 0.00 0.00 0.00 1.96 5.08 -1.66 -3.37 114.58 116.59 2k3x h GLU 5 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2k3x h GLU 5 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2k3x h GLU 5 CO 0.00 0.00 -1.11 0.94 -1.00 0.00 0.00 179.01 177.84 2k3x n GLN 6 N -2.48 0.87 -2.04 2.33 7.27 -0.10 -3.65 117.38 119.58 2k3x n GLN 6 Ca 0.03 0.01 -0.38 0.00 0.07 0.00 0.00 57.00 56.73 2k3x n GLN 6 Cb 0.34 -1.04 0.01 0.00 2.41 0.00 0.00 30.24 31.96 2k3x n GLN 6 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2k3x s GLU 7 N -2.04 3.65 0.59 3.69 2.12 0.05 -3.98 118.70 122.77 2k3x s GLU 7 Ca -0.02 2.05 -0.20 0.00 0.36 0.00 0.00 54.97 57.16 2k3x s GLU 7 Cb 0.01 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 2k3x s GLU 7 CO 0.05 -0.72 1.23 1.97 -0.54 0.00 0.00 175.26 177.24 2k3x n PHE 8 N -0.44 1.79 -4.32 5.30 -1.74 -1.26 -4.59 117.46 112.20 2k3x n PHE 8 Ca 0.07 0.43 -0.19 0.00 -0.56 0.00 0.00 57.45 57.20 2k3x n PHE 8 Cb 0.46 -2.27 -0.13 0.00 1.52 0.00 0.00 39.48 39.05 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 -1.37 1.03 -0.69 1.98 0.00 -1.26 -5.01 121.76 116.44 2k3x s ALA 9 Ca 0.76 -0.75 -0.26 0.00 0.00 0.00 0.00 51.96 51.71 2k3x s ALA 9 Cb -0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 2k3x s ALA 9 CO 0.46 0.19 1.68 -0.51 0.00 0.00 0.00 175.76 177.57 2k3x s LEU 10 N -1.04 3.25 0.00 0.00 1.43 -1.26 -0.82 118.68 120.24 2k3x s LEU 10 Ca 0.01 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 2k3x s LEU 10 Cb -0.07 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.60 2k3x s LEU 10 CO 0.01 -2.21 0.00 0.61 0.23 0.00 0.00 176.35 174.99 2k3x n GLY 11 N 5.75 0.85 3.76 -3.19 0.00 -1.19 -4.94 105.19 106.22 2k3x n GLY 11 Ca 0.17 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.08 2.10 0.59 -0.02 0.00 0.00 -4.87 107.32 103.05 2k3x s GLY 12 Ca 0.00 0.56 -0.07 0.00 0.00 0.00 0.00 44.72 45.21 2k3x s GLY 12 CO 0.00 0.92 0.92 0.50 0.00 0.00 0.00 173.10 175.43 2k3x s ARG 13 N -4.20 3.01 0.32 2.90 3.00 -1.26 -2.45 118.95 120.27 2k3x s ARG 13 Ca 0.67 0.11 -0.06 0.00 0.00 0.00 0.00 55.73 56.45 2k3x s ARG 13 Cb -0.21 -2.25 0.00 0.00 0.00 0.00 0.00 34.95 32.50 2k3x s ARG 13 CO 0.45 -0.68 0.50 0.00 0.00 0.00 0.00 175.30 175.56 2k3x s LEU 15 N -3.16 0.41 -0.05 0.00 1.43 0.00 -0.46 118.68 116.85 2k3x s LEU 15 Ca 0.27 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.80 2k3x s LEU 15 Cb -0.01 0.47 -0.00 0.00 0.03 0.00 0.00 46.19 46.68 2k3x s LEU 15 CO 0.16 -0.18 -0.18 0.00 0.23 0.00 0.00 176.35 176.38 2k3x s ALA 16 N 1.51 1.63 -0.03 4.21 0.00 -0.44 -1.40 121.76 127.24 2k3x s ALA 16 Ca -0.06 -0.73 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 2k3x s ALA 16 Cb -0.11 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 2k3x s ALA 16 CO -0.07 0.28 0.46 -0.06 0.00 0.00 0.00 175.76 176.37 2k3x s PHE 17 N 0.11 3.67 -0.12 0.00 0.08 0.07 -1.08 117.98 120.71 2k3x s PHE 17 Ca -0.06 1.00 -0.01 0.00 0.12 0.00 0.00 56.93 57.98 2k3x s PHE 17 Cb -0.13 -2.41 -0.07 0.00 -0.57 0.00 0.00 43.02 39.84 2k3x s PHE 17 CO 0.03 0.47 -0.12 0.72 -0.10 0.00 0.00 175.22 176.22 2k3x n HIS 18 N 2.44 0.00 0.00 0.36 8.25 -0.78 -4.88 115.22 120.61 2k3x n HIS 18 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2k3x n HIS 18 Cb 0.52 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 2.72 0.92 0.36 -1.41 0.00 -1.26 -4.92 105.19 101.61 2k3x n GLY 19 Ca -0.22 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 0.92 0.00 1.61 0.11 -2.03 -3.45 132.00 129.16 2k3x h PRO 20 Ca 0.00 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 2k3x h PRO 20 Cb 0.00 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 30.88 2k3x h PRO 20 CO 0.00 0.61 -0.04 -0.11 -0.21 0.00 0.00 178.00 178.24 2k3x n LEU 21 N -4.62 0.00 -4.38 2.35 7.94 -1.26 -4.95 117.00 112.08 2k3x n LEU 21 Ca 0.19 -1.37 -0.21 0.00 -1.11 0.00 0.00 56.01 53.51 2k3x n LEU 21 Cb 0.39 1.33 -0.10 0.00 0.53 0.00 0.00 43.42 45.56 2k3x n LEU 21 CO 0.27 -0.33 -0.46 0.00 -1.11 0.00 0.00 177.39 175.76 2k3x s MET 22 N -2.34 1.41 0.13 1.96 0.23 -1.26 -1.87 119.30 117.55 2k3x s MET 22 Ca 0.13 -1.59 0.04 0.00 -1.03 0.00 0.00 55.69 53.24 2k3x s MET 22 Cb -0.01 -1.35 -0.04 0.00 -1.53 0.00 0.00 34.83 31.90 2k3x s MET 22 CO 0.10 0.25 -0.09 0.71 -2.03 0.00 0.00 175.02 173.95 2k3x s TYR 23 N -2.62 1.15 0.35 3.16 2.02 -0.24 -4.93 117.35 116.24 2k3x s TYR 23 Ca 0.23 -0.77 -0.27 0.00 -0.37 0.00 0.00 57.07 55.89 2k3x s TYR 23 Cb -0.03 -0.60 -0.09 0.00 -0.40 0.00 0.00 41.96 40.83 2k3x s TYR 23 CO 0.09 0.02 1.18 -1.21 -1.57 0.00 0.00 175.55 174.06 2k3x s GLU 24 N -3.56 4.27 0.16 -0.62 8.01 -1.26 -1.33 118.70 124.39 2k3x s GLU 24 Ca 0.13 1.92 0.05 0.00 0.01 0.00 0.00 54.97 57.08 2k3x s GLU 24 Cb 0.02 -2.89 -0.05 0.00 -4.31 0.00 0.00 34.13 26.90 2k3x s GLU 24 CO -0.01 -0.15 -0.10 0.00 0.01 0.00 0.00 175.26 175.00 2k3x s ALA 25 N -1.29 1.60 -0.24 5.21 0.00 0.40 -0.67 121.76 126.76 2k3x s ALA 25 Ca 0.52 -1.55 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 2k3x s ALA 25 Cb -0.33 0.05 0.12 0.00 0.00 0.00 0.00 23.12 22.96 2k3x s ALA 25 CO 0.42 -0.07 0.32 0.21 0.00 0.00 0.00 175.76 176.64 2k3x s LYS 26 N -3.73 0.30 0.14 0.00 2.20 -0.73 -1.24 119.74 116.68 2k3x s LYS 26 Ca 0.19 0.26 -0.31 0.00 -0.36 0.00 0.00 55.97 55.75 2k3x s LYS 26 Cb 0.02 -0.72 -0.10 0.00 -1.51 0.00 0.00 37.83 35.52 2k3x s LYS 26 CO 0.02 -0.76 1.61 0.42 -0.36 0.00 0.00 175.35 176.28 2k3x s ILE 27 N 2.44 2.73 0.04 5.43 1.01 -1.03 -1.51 121.20 130.31 2k3x s ILE 27 Ca 0.10 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.18 2k3x s ILE 27 Cb -0.15 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.04 2k3x s ILE 27 CO -0.19 0.02 0.00 -0.11 0.00 0.00 0.00 174.94 174.66 2k3x n LEU 28 N 4.52 0.20 -4.84 2.97 0.00 -0.47 -3.18 117.00 116.20 2k3x n LEU 28 Ca 0.15 0.05 -0.38 0.00 0.00 0.00 0.00 56.01 55.83 2k3x n LEU 28 Cb 0.39 -0.04 -0.06 0.00 0.00 0.00 0.00 43.42 43.71 2k3x n LEU 28 CO 0.62 -0.57 0.09 -0.75 0.00 0.00 0.00 177.39 176.78 2k3x s LYS 29 N -1.24 3.90 0.23 1.96 2.20 -1.12 -4.13 119.74 121.54 2k3x s LYS 29 Ca 0.00 0.38 0.07 0.00 -0.36 0.00 0.00 55.97 56.05 2k3x s LYS 29 Cb 0.00 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 33.04 2k3x s LYS 29 CO 0.00 0.68 -0.10 0.96 -0.36 0.00 0.00 175.35 176.53 2k3x s ILE 30 N -1.02 1.62 0.03 5.43 -0.00 0.48 -0.33 121.20 127.41 2k3x s ILE 30 Ca 0.23 -2.16 -0.02 0.00 -0.00 0.00 0.00 60.65 58.71 2k3x s ILE 30 Cb -0.16 -2.22 -0.02 0.00 -0.00 0.00 0.00 42.46 40.06 2k3x s ILE 30 CO 0.13 -0.46 0.00 0.86 -0.00 0.00 0.00 174.94 175.47 2k3x s TRP 31 N -3.04 0.27 -0.19 1.37 -0.11 -0.03 -0.39 118.94 116.82 2k3x s TRP 31 Ca 0.25 -0.57 -0.04 0.00 1.22 0.00 0.00 56.10 56.96 2k3x s TRP 31 Cb 0.02 -0.20 0.09 0.00 -1.50 0.00 0.00 33.47 31.88 2k3x s TRP 31 CO 0.09 -0.25 0.29 0.34 -4.62 0.00 0.00 176.95 172.79 2k3x s ASP 32 N -1.77 0.67 0.07 5.86 2.15 -1.20 -1.59 116.67 120.86 2k3x s ASP 32 Ca -0.11 0.21 0.07 0.00 0.43 0.00 0.00 52.55 53.15 2k3x s ASP 32 Cb -0.06 0.73 0.32 0.00 -0.30 0.00 0.00 42.92 43.61 2k3x s ASP 32 CO -0.03 -0.29 1.20 -0.81 -0.17 0.00 0.00 175.17 175.08 2k3x n PRO 33 N 5.34 0.03 0.32 4.34 -0.04 -1.26 -2.12 135.00 141.62 2k3x n PRO 33 Ca -0.05 0.49 0.21 0.00 -0.04 0.00 0.00 63.50 64.11 2k3x n PRO 33 Cb 0.50 -1.60 1.04 0.00 -0.04 0.00 0.00 33.50 33.39 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 -2.98 113.55 112.19 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 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2k3x h SER 34 CO 0.00 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.49 2k3x n SER 35 N -3.12 0.20 -4.35 3.07 7.64 -0.96 -5.03 113.62 111.07 2k3x n SER 35 Ca -0.02 -0.54 -0.33 0.00 1.01 0.00 0.00 58.87 59.00 2k3x n SER 35 Cb 0.15 0.37 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 2k3x n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k3x n LYS 36 N -0.37 -0.96 -4.11 1.43 5.02 -0.90 -4.97 118.16 113.30 2k3x n LYS 36 Ca 0.00 0.10 -0.14 0.00 -2.02 0.00 0.00 58.31 56.26 2k3x n LYS 36 Cb 0.04 -3.77 -0.06 0.00 -0.02 0.00 0.00 35.03 31.22 2k3x n LYS 36 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2k3x s MET 37 N -7.35 1.73 0.00 1.97 -1.94 -1.25 -4.92 119.30 107.54 2k3x s MET 37 Ca 0.12 -1.68 0.00 0.00 -1.71 0.00 0.00 55.69 52.42 2k3x s MET 37 Cb -0.07 0.41 0.00 0.00 2.01 0.00 0.00 34.83 37.18 2k3x s MET 37 CO 1.00 -0.69 0.00 2.48 -0.01 0.00 0.00 175.02 177.80 2k3x n TYR 38 N -0.50 -0.82 -3.58 -0.03 0.18 -1.26 -3.24 117.16 107.92 2k3x n TYR 38 Ca 0.01 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.71 2k3x n TYR 38 Cb 0.62 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.54 2k3x n TYR 38 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2k3x s THR 39 N 0.20 0.00 0.29 -3.48 -4.23 0.47 -3.50 115.64 105.39 2k3x s THR 39 Ca 0.00 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.31 2k3x s THR 39 Cb 0.00 -1.00 0.02 0.00 1.34 0.00 0.00 72.50 72.86 2k3x s THR 39 CO 0.00 0.00 0.73 -0.55 -0.54 0.00 0.00 174.62 174.26 2k3x s SER 40 N -1.42 -0.23 0.03 3.99 0.15 -1.23 -0.39 113.70 114.60 2k3x s SER 40 Ca 0.02 -0.67 -0.02 0.00 0.70 0.00 0.00 55.95 55.98 2k3x s SER 40 Cb -0.01 0.74 -0.02 0.00 -1.71 0.00 0.00 66.02 65.02 2k3x s SER 40 CO -0.02 -1.38 0.02 0.27 1.20 0.00 0.00 173.24 173.33 2k3x s ILE 41 N -3.72 0.14 -0.46 6.45 -5.25 -1.26 -1.42 121.20 115.68 2k3x s ILE 41 Ca 0.12 -1.18 0.23 0.00 -0.99 0.00 0.00 60.65 58.83 2k3x s ILE 41 Cb -0.06 -0.79 0.27 0.00 2.95 0.00 0.00 42.46 44.83 2k3x s ILE 41 CO 0.07 -0.65 1.54 1.55 -1.79 0.00 0.00 174.94 175.67 2k3x h PRO 42 N 3.93 0.00 -0.75 0.37 0.13 -1.62 -3.38 132.00 130.68 2k3x h PRO 42 Ca -0.33 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.88 2k3x h PRO 42 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2k3x h PRO 42 CO 0.50 0.00 0.49 -0.97 -0.23 0.00 0.00 178.00 177.79 2k3x h ASN 43 N 0.00 0.66 0.28 1.44 -0.73 -1.89 -1.91 115.58 113.43 2k3x h ASN 43 Ca 0.00 0.01 -0.13 0.00 1.87 0.00 0.00 56.30 58.05 2k3x h ASN 43 Cb 0.95 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 39.40 2k3x h ASN 43 CO 0.00 0.41 -0.50 -0.78 -0.37 0.00 0.00 177.43 176.19 2k3x h ASP 44 N 0.74 0.27 -4.29 1.15 3.58 -1.93 -3.50 116.42 112.45 2k3x h ASP 44 Ca 0.33 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2k3x h ASP 44 Cb 0.33 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2k3x h ASP 44 CO -0.12 0.73 -0.87 1.17 -2.88 0.00 0.00 179.24 177.27 2k3x n LYS 45 N -3.95 -4.98 -0.98 0.28 3.00 -0.72 -5.03 118.16 105.78 2k3x n LYS 45 Ca -0.02 3.58 -0.30 0.00 -0.00 0.00 0.00 58.31 61.57 2k3x n LYS 45 Cb 0.54 -3.86 0.25 0.00 0.00 0.00 0.00 35.03 31.97 2k3x n LYS 45 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2k3x s PRO 46 N -1.48 -1.54 -0.23 1.64 0.04 -1.26 -4.98 135.00 127.18 2k3x s PRO 46 Ca 0.00 -0.06 0.14 0.00 0.04 0.00 0.00 61.00 61.12 2k3x s PRO 46 Cb 0.00 -1.56 0.80 0.00 0.04 0.00 0.00 34.50 33.79 2k3x s PRO 46 CO 0.00 -3.93 1.73 0.41 0.04 0.00 0.00 177.00 175.26 2k3x n GLY 47 N -0.62 3.09 0.00 0.56 0.00 -1.26 -4.98 105.19 101.98 2k3x n GLY 47 Ca 0.13 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.54 3.41 3.69 -0.02 0.00 -1.26 -4.81 105.19 106.73 2k3x n GLY 48 Ca 0.27 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 2k3x n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3x s SER 49 N 1.82 3.15 0.40 1.61 0.01 -1.26 -4.81 113.70 114.62 2k3x s SER 49 Ca 0.00 2.19 0.00 0.00 1.31 0.00 0.00 55.95 59.45 2k3x s SER 49 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2k3x s SER 49 CO 0.00 -2.95 0.00 -1.20 0.41 0.00 0.00 173.24 169.50 2k3x n SER 50 N -4.03 -6.92 -0.01 2.44 7.64 -1.26 -4.88 113.62 106.59 2k3x n SER 50 Ca 0.12 0.85 0.01 0.00 1.01 0.00 0.00 58.87 60.86 2k3x n SER 50 Cb 0.52 -3.77 -0.01 0.00 -1.01 0.00 0.00 64.21 59.95 2k3x n SER 50 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2k3x n GLN 51 N -3.95 5.12 -3.01 1.43 7.27 -1.26 -4.69 117.38 118.29 2k3x n GLN 51 Ca -0.03 -0.11 -0.17 0.00 0.07 0.00 0.00 57.00 56.75 2k3x n GLN 51 Cb 0.54 -0.66 0.04 0.00 2.41 0.00 0.00 30.24 32.57 2k3x n GLN 51 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k3x n ALA 52 N -0.83 -0.81 -1.54 1.69 0.00 -1.26 -4.39 120.51 113.38 2k3x n ALA 52 Ca 0.00 0.25 -0.63 0.00 0.00 0.00 0.00 53.44 53.06 2k3x n ALA 52 Cb 0.03 -3.47 -0.10 0.00 0.00 0.00 0.00 19.45 15.91 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 -4.24 0.00 -1.20 0.00 -1.04 -1.26 -2.46 114.28 104.08 2k3x n THR 53 Ca -0.05 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.07 2k3x n THR 53 Cb 0.57 -0.48 -0.03 0.00 -1.82 0.00 0.00 70.33 68.57 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 4.87 -1.55 -1.66 -2.82 5.02 -1.26 -4.43 118.16 116.33 2k3x n LYS 54 Ca 0.37 1.02 -0.39 0.00 -2.02 0.00 0.00 58.31 57.29 2k3x n LYS 54 Cb -0.05 -1.89 -0.03 0.00 -0.02 0.00 0.00 35.03 33.04 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 -1.51 2.52 -0.09 1.97 2.02 -1.26 -4.04 118.70 118.32 2k3x s GLU 55 Ca 0.00 1.47 -0.30 0.00 0.02 0.00 0.00 54.97 56.17 2k3x s GLU 55 Cb 0.00 -4.48 -0.02 0.00 0.10 0.00 0.00 34.13 29.73 2k3x s GLU 55 CO 0.00 -2.80 1.18 0.42 0.02 0.00 0.00 175.26 174.07 2k3x s ILE 56 N 10.42 4.35 0.52 -1.63 1.01 -0.51 -4.95 121.20 130.41 2k3x s ILE 56 Ca 0.93 1.65 -0.20 0.00 0.00 0.00 0.00 60.65 63.03 2k3x s ILE 56 Cb -0.21 -4.06 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 2k3x s ILE 56 CO 0.28 -0.03 1.14 -0.54 0.00 0.00 0.00 174.94 175.79 2k3x s LYS 57 N 2.45 3.48 0.05 2.79 1.02 -1.26 -3.58 119.74 124.68 2k3x s LYS 57 Ca 0.54 1.65 -0.34 0.00 0.02 0.00 0.00 55.97 57.84 2k3x s LYS 57 Cb -0.23 -2.11 -0.13 0.00 -0.52 0.00 0.00 37.83 34.84 2k3x s LYS 57 CO 0.19 -0.76 1.72 -2.30 -0.92 0.00 0.00 175.35 173.29 2k3x n PRO 58 N -1.08 2.19 -3.95 -1.68 -0.02 -1.23 -4.75 135.00 124.48 2k3x n PRO 58 Ca 0.10 0.80 -0.09 0.00 -2.02 0.00 0.00 63.50 62.29 2k3x n PRO 58 Cb 0.50 -2.60 -0.10 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 2.36 0.56 0.45 -0.52 -0.21 -1.26 -4.97 119.66 116.07 2k3x s GLN 59 Ca 0.85 -0.79 -0.22 0.00 0.02 0.00 0.00 55.36 55.22 2k3x s GLN 59 Cb -0.68 0.22 -0.12 0.00 1.00 0.00 0.00 33.01 33.43 2k3x s GLN 59 CO 0.44 -0.13 0.61 1.63 -2.12 0.00 0.00 175.29 175.71 2k3x n LYS 60 N 0.78 0.67 -4.73 2.91 5.02 -1.26 -4.22 118.16 117.33 2k3x n LYS 60 Ca -0.19 0.25 -0.32 0.00 -2.02 0.00 0.00 58.31 56.02 2k3x n LYS 60 Cb 0.58 -1.62 -0.07 0.00 -0.02 0.00 0.00 35.03 33.90 2k3x n LYS 60 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2k3x s LEU 61 N 1.24 2.19 0.00 -0.35 2.34 -1.26 -4.95 118.68 117.89 2k3x s LEU 61 Ca 0.64 -1.69 0.00 0.00 0.06 0.00 0.00 54.13 53.14 2k3x s LEU 61 Cb -0.57 -0.60 0.00 0.00 -0.56 0.00 0.00 46.19 44.46 2k3x s LEU 61 CO 0.57 -0.91 0.00 0.61 -1.06 0.00 0.00 176.35 175.56 2k3x n GLY 62 N -1.24 1.67 0.11 -3.48 0.00 -1.25 -5.04 105.19 95.96 2k3x n GLY 62 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2k3x n GLY 62 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k3x h GLU 63 N 0.25 0.23 0.00 1.61 4.39 -2.03 -3.42 114.58 115.61 2k3x h GLU 63 Ca 0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2k3x h GLU 63 Cb 0.00 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2k3x h GLU 63 CO 0.00 1.14 0.00 -3.47 -1.16 0.00 0.00 179.01 175.52 2k3x n ASP 64 N -3.54 0.00 -3.88 1.42 2.03 -1.26 -5.14 116.55 106.18 2k3x n ASP 64 Ca -0.06 -1.00 -0.10 0.00 0.52 0.00 0.00 54.79 54.15 2k3x n ASP 64 Cb 0.96 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.30 2k3x n ASP 64 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2k3x s GLU 65 N 0.00 1.20 -0.27 -0.67 1.03 -1.26 -5.09 118.70 113.64 2k3x s GLU 65 Ca 0.00 -1.05 -0.16 0.00 0.03 0.00 0.00 54.97 53.79 2k3x s GLU 65 Cb 0.00 0.42 0.08 0.00 -0.80 0.00 0.00 34.13 33.83 2k3x s GLU 65 CO 0.00 -0.46 0.66 -1.12 -1.33 0.00 0.00 175.26 173.01 2k3x s SER 66 N -2.93 -0.88 -0.08 0.83 0.01 -1.26 -3.97 113.70 105.41 2k3x s SER 66 Ca 0.13 1.44 -0.27 0.00 1.31 0.00 0.00 55.95 58.57 2k3x s SER 66 Cb 0.02 1.32 -0.02 0.00 0.21 0.00 0.00 66.02 67.55 2k3x s SER 66 CO -0.02 -0.23 0.88 0.27 0.41 0.00 0.00 173.24 174.55 2k3x s ILE 67 N 1.51 4.90 0.71 1.44 -0.00 -1.26 -4.84 121.20 123.66 2k3x s ILE 67 Ca -0.09 1.80 -0.11 0.00 -0.00 0.00 0.00 60.65 62.25 2k3x s ILE 67 Cb -0.05 -4.20 0.02 0.00 -0.00 0.00 0.00 42.46 38.22 2k3x s ILE 67 CO -0.18 0.11 1.07 -2.16 -0.00 0.00 0.00 174.94 173.79 2k3x s PRO 68 N 1.47 2.80 0.61 0.37 0.04 -1.26 -4.84 135.00 134.19 2k3x s PRO 68 Ca 0.44 0.87 0.31 0.00 0.04 0.00 0.00 61.00 62.66 2k3x s PRO 68 Cb -0.18 -1.98 1.80 0.00 0.04 0.00 0.00 34.50 34.18 2k3x s PRO 68 CO 0.19 -1.17 2.15 0.93 0.04 0.00 0.00 177.00 179.14 2k3x h GLU 69 N -0.77 0.00 -0.52 4.56 5.08 -1.99 -0.77 114.58 120.18 2k3x h GLU 69 Ca -0.44 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.03 2k3x h GLU 69 Cb 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 2k3x h GLU 69 CO 0.58 0.00 0.36 0.93 -1.00 0.00 0.00 179.01 179.88 2k3x h GLU 70 N 0.00 0.17 0.00 2.33 5.08 -2.03 -3.24 114.58 116.89 2k3x h GLU 70 Ca 0.05 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2k3x h GLU 70 Cb 0.35 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2k3x h GLU 70 CO -0.00 0.12 -1.19 0.44 -1.00 0.00 0.00 179.01 177.37 2k3x n ILE 71 N -4.44 0.15 -0.34 3.13 -5.35 -0.39 -4.77 119.36 107.36 2k3x n ILE 71 Ca 0.09 -0.11 0.24 0.00 -0.27 0.00 0.00 62.75 62.69 2k3x n ILE 71 Cb 0.46 -0.57 0.48 0.00 -1.74 0.00 0.00 39.64 38.27 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 0.33 0.00 7.28 5.03 -1.33 -1.42 117.51 127.40 2k3x h ILE 72 Ca -0.06 -0.12 0.00 0.00 -0.12 0.00 0.00 64.86 64.56 2k3x h ILE 72 Cb 0.92 -0.05 0.00 0.00 -3.03 0.00 0.00 36.82 34.66 2k3x h ILE 72 CO 0.00 0.06 0.00 -0.46 -0.68 0.00 0.00 178.15 177.08 2k3x n ASN 73 N -4.98 0.00 -4.14 1.72 0.23 -1.26 -4.08 115.26 102.75 2k3x n ASN 73 Ca 0.31 0.17 -0.23 0.00 -0.53 0.00 0.00 54.58 54.30 2k3x n ASN 73 Cb 0.97 -0.30 -0.09 0.00 -2.08 0.00 0.00 39.78 38.29 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 -2.59 2.34 0.27 4.83 0.00 -0.54 -4.95 107.32 106.68 2k3x s GLY 74 Ca 0.09 -1.56 -0.30 0.00 0.00 0.00 0.00 44.72 42.95 2k3x s GLY 74 CO 0.15 -1.75 1.29 0.28 0.00 0.00 0.00 173.10 173.06 2k3x n LYS 75 N -0.77 1.88 -4.45 2.90 4.76 -1.26 -4.47 118.16 116.76 2k3x n LYS 75 Ca -0.03 0.67 -0.24 0.00 -2.87 0.00 0.00 58.31 55.84 2k3x n LYS 75 Cb 0.65 -2.24 -0.10 0.00 -1.84 0.00 0.00 35.03 31.50 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 -2.46 0.20 -0.35 0.00 0.08 0.08 -0.85 117.98 114.68 2k3x s PHE 77 Ca 0.28 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.59 2k3x s PHE 77 Cb -0.05 -0.73 -0.00 0.00 -0.57 0.00 0.00 43.02 41.67 2k3x s PHE 77 CO 0.13 -0.61 1.51 0.12 -0.10 0.00 0.00 175.22 176.27 2k3x s PHE 78 N 2.14 2.27 0.04 0.36 5.36 0.55 -1.48 117.98 127.22 2k3x s PHE 78 Ca 0.04 0.67 0.09 0.00 -0.96 0.00 0.00 56.93 56.77 2k3x s PHE 78 Cb -0.16 -4.16 -0.03 0.00 -0.34 0.00 0.00 43.02 38.33 2k3x s PHE 78 CO -0.17 -2.30 -0.26 0.96 -1.46 0.00 0.00 175.22 171.99 2k3x s ILE 79 N 5.55 2.18 -0.38 3.12 -4.36 -0.11 -1.37 121.20 125.83 2k3x s ILE 79 Ca 0.66 -1.36 -0.29 0.00 -0.26 0.00 0.00 60.65 59.40 2k3x s ILE 79 Cb -0.18 -1.85 0.02 0.00 1.25 0.00 0.00 42.46 41.70 2k3x s ILE 79 CO 0.31 0.38 1.21 -2.28 0.24 0.00 0.00 174.94 174.79 2k3x s HIS 80 N -0.80 2.80 -0.79 1.37 5.65 -0.57 -1.86 115.29 121.10 2k3x s HIS 80 Ca 0.12 0.88 -0.25 0.00 0.25 0.00 0.00 55.06 56.05 2k3x s HIS 80 Cb -0.10 -4.08 -0.03 0.00 -1.18 0.00 0.00 32.58 27.19 2k3x s HIS 80 CO 0.02 -1.37 1.86 0.71 -0.65 0.00 0.00 174.74 175.31 2k3x s TYR 81 N 4.38 1.81 0.72 3.88 2.02 -1.20 -1.78 117.35 127.18 2k3x s TYR 81 Ca 0.52 0.59 -0.11 0.00 -0.37 0.00 0.00 57.07 57.69 2k3x s TYR 81 Cb -0.12 -4.12 0.02 0.00 -0.40 0.00 0.00 41.96 37.35 2k3x s TYR 81 CO 0.25 -1.99 1.07 -0.65 -1.57 0.00 0.00 175.55 172.66 2k3x s GLN 82 N 6.87 2.72 0.00 -0.62 -0.21 0.16 -3.15 119.66 125.43 2k3x s GLN 82 Ca 0.66 0.87 0.00 0.00 0.02 0.00 0.00 55.36 56.91 2k3x s GLN 82 Cb -0.09 -1.97 0.00 0.00 1.00 0.00 0.00 33.01 31.95 2k3x s GLN 82 CO 0.08 -1.23 0.00 0.41 -2.12 0.00 0.00 175.29 172.43 2k3x n GLY 83 N -2.04 0.58 3.28 3.09 0.00 -1.26 -4.04 105.19 104.80 2k3x n GLY 83 Ca 0.07 0.00 -0.15 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 -2.71 1.41 0.46 1.61 0.52 -1.19 -5.11 118.94 113.93 2k3x s TRP 84 Ca 0.00 -1.25 -0.25 0.00 0.02 0.00 0.00 56.10 54.62 2k3x s TRP 84 Cb 0.00 -0.78 -0.08 0.00 -1.15 0.00 0.00 33.47 31.46 2k3x s TRP 84 CO 0.00 -0.44 1.43 1.63 0.02 0.00 0.00 176.95 179.59 2k3x n LYS 85 N -0.40 2.21 0.10 4.98 4.76 -1.26 -4.88 118.16 123.67 2k3x n LYS 85 Ca 0.01 0.79 0.06 0.00 -2.87 0.00 0.00 58.31 56.30 2k3x n LYS 85 Cb 0.66 -2.63 0.34 0.00 -1.84 0.00 0.00 35.03 31.57 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 -0.25 0.33 0.24 4.39 7.64 -1.26 -0.73 113.62 123.98 2k3x n SER 86 Ca 0.06 0.65 0.16 0.00 1.01 0.00 0.00 58.87 60.75 2k3x n SER 86 Cb 0.42 -0.69 0.87 0.00 -1.01 0.00 0.00 64.21 63.80 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 -0.15 6.43 0.02 -1.94 -1.20 113.55 116.71 2k3x h SER 87 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2k3x h SER 87 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2k3x h SER 87 CO 0.00 0.00 0.02 0.79 -1.14 0.00 0.00 176.83 176.50 2k3x n TRP 88 N -3.81 0.54 -1.92 3.45 7.02 0.09 -4.79 117.44 118.01 2k3x n TRP 88 Ca -0.00 -0.25 -0.37 0.00 -1.02 0.00 0.00 57.50 55.86 2k3x n TRP 88 Cb 0.22 -0.23 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 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 -0.12 5.04 0.02 -0.99 1.01 -0.46 -3.22 116.67 117.96 2k3x s ASP 89 Ca 0.13 0.42 -0.00 0.00 0.71 0.00 0.00 52.55 53.81 2k3x s ASP 89 Cb 0.10 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 2k3x s ASP 89 CO 0.04 -2.55 -0.03 -0.70 0.21 0.00 0.00 175.17 172.14 2k3x s GLU 90 N 7.36 0.34 0.52 8.23 2.56 -0.78 -4.91 118.70 132.02 2k3x s GLU 90 Ca 0.75 -0.66 -0.16 0.00 0.00 0.00 0.00 54.97 54.90 2k3x s GLU 90 Cb -0.13 0.12 -0.07 0.00 2.00 0.00 0.00 34.13 36.04 2k3x s GLU 90 CO 0.20 -0.06 0.98 -1.58 -0.56 0.00 0.00 175.26 174.24 2k3x s TRP 91 N -1.67 3.47 0.12 5.30 0.52 -1.26 -0.94 118.94 124.49 2k3x s TRP 91 Ca -0.14 1.43 -0.01 0.00 0.02 0.00 0.00 56.10 57.40 2k3x s TRP 91 Cb -0.08 -2.77 -0.04 0.00 -1.15 0.00 0.00 33.47 29.43 2k3x s TRP 91 CO -0.02 -0.39 0.04 0.14 0.02 0.00 0.00 176.95 176.74 2k3x s VAL 92 N -2.67 0.16 0.42 4.03 -7.23 -0.55 -4.93 120.40 109.62 2k3x s VAL 92 Ca 0.58 -1.90 0.08 0.00 -1.81 0.00 0.00 61.98 58.93 2k3x s VAL 92 Cb -0.10 -1.98 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 2k3x s VAL 92 CO 0.33 -0.54 0.39 -0.83 -0.31 0.00 0.00 175.10 174.14 2k3x s GLY 93 N -3.04 2.13 0.64 2.32 0.00 -1.26 -0.74 107.32 107.37 2k3x s GLY 93 Ca 0.22 -1.87 0.41 0.00 0.00 0.00 0.00 44.72 43.48 2k3x s GLY 93 CO 0.00 -1.70 2.29 -1.82 0.00 0.00 0.00 173.10 171.87 2k3x h TYR 94 N 1.00 0.00 -0.07 1.90 5.03 -1.76 0.17 116.97 123.23 2k3x h TYR 94 Ca -0.41 0.00 0.02 0.00 2.58 0.00 0.00 58.73 60.92 2k3x h TYR 94 Cb 1.27 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.54 2k3x h TYR 94 CO 0.52 0.01 0.21 0.22 -1.32 0.00 0.00 178.16 177.80 2k3x h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.94 -3.27 116.42 112.68 2k3x h ASP 95 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k3x h ASP 95 Cb 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2k3x h ASP 95 CO 0.00 0.00 -0.65 0.54 -2.88 0.00 0.00 179.24 176.25 2k3x n ARG 96 N -3.24 2.45 -4.31 0.28 1.74 -0.08 -5.01 116.66 108.49 2k3x n ARG 96 Ca -0.01 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.83 2k3x n ARG 96 Cb 0.29 -0.82 -0.08 0.00 -1.02 0.00 0.00 32.46 30.83 2k3x n ARG 96 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2k3x s ILE 97 N -1.54 3.31 0.05 0.55 2.07 -0.47 -0.75 121.20 124.40 2k3x s ILE 97 Ca 0.00 -1.91 -0.02 0.00 -1.41 0.00 0.00 60.65 57.31 2k3x s ILE 97 Cb 0.00 -2.74 -0.03 0.00 0.13 0.00 0.00 42.46 39.82 2k3x s ILE 97 CO 0.00 -0.33 -0.00 -0.13 -1.91 0.00 0.00 174.94 172.57 2k3x s ARG 98 N -3.50 0.60 0.84 3.50 0.52 -0.49 -4.57 118.95 115.85 2k3x s ARG 98 Ca 0.30 -1.11 -0.14 0.00 -0.52 0.00 0.00 55.73 54.26 2k3x s ARG 98 Cb -0.07 0.21 0.21 0.00 0.52 0.00 0.00 34.95 35.82 2k3x s ARG 98 CO 0.19 -0.12 0.77 0.00 0.02 0.00 0.00 175.30 176.16 2k3x n ALA 99 N 0.29 -2.29 -2.62 2.13 0.00 -1.26 -0.82 120.51 115.95 2k3x n ALA 99 Ca -0.15 -1.14 -0.42 0.00 0.00 0.00 0.00 53.44 51.73 2k3x n ALA 99 Cb 0.60 -0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 2k3x n ALA 99 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2k3x s TYR 100 N -2.42 3.21 0.27 0.00 5.04 0.70 -4.48 117.35 119.67 2k3x s TYR 100 Ca 0.49 0.88 -0.21 0.00 -2.44 0.00 0.00 57.07 55.79 2k3x s TYR 100 Cb -0.05 -3.23 0.03 0.00 0.35 0.00 0.00 41.96 39.06 2k3x s TYR 100 CO 0.38 -0.56 0.72 0.54 -1.34 0.00 0.00 175.55 175.29 2k3x s ASN 101 N 1.59 -0.28 0.39 4.32 2.20 -1.25 -4.64 114.94 117.27 2k3x s ASN 101 Ca 0.34 -0.55 0.12 0.00 -0.94 0.00 0.00 52.86 51.83 2k3x s ASN 101 Cb -0.14 0.71 0.79 0.00 -2.00 0.00 0.00 41.25 40.61 2k3x s ASN 101 CO 0.12 -1.30 1.87 -0.08 -2.94 0.00 0.00 177.10 174.77 2k3x h GLU 102 N 2.00 0.04 -0.36 3.55 4.81 -1.95 -0.71 114.58 121.97 2k3x h GLU 102 Ca -0.20 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 58.88 2k3x h GLU 102 Cb 1.25 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2k3x h GLU 102 CO 0.24 0.33 -0.33 1.49 -0.73 0.00 0.00 179.01 180.02 2k3x h GLU 103 N 0.04 0.80 0.00 1.92 4.81 -1.98 0.15 114.58 120.31 2k3x h GLU 103 Ca 0.00 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 58.81 2k3x h GLU 103 Cb 0.54 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2k3x h GLU 103 CO 0.04 1.01 -0.19 -0.91 -0.73 0.00 0.00 179.01 178.23 2k3x h ASN 104 N 0.67 0.00 0.99 1.04 2.35 -1.68 -1.50 115.58 117.44 2k3x h ASN 104 Ca 0.07 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 2k3x h ASN 104 Cb 0.88 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 2k3x h ASN 104 CO 0.08 0.19 -0.73 0.40 -1.65 0.00 0.00 177.43 175.72 2k3x h ILE 105 N 0.00 1.38 -0.69 2.81 1.08 -0.88 0.10 117.51 121.32 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 1.02 2.48 -0.03 0.00 -3.07 0.00 0.00 36.82 37.22 2k3x h ILE 105 CO 0.03 0.72 0.24 0.00 -0.69 0.00 0.00 178.15 178.44 2k3x h ALA 106 N 1.27 0.90 -0.45 1.87 0.00 -0.04 0.22 119.26 123.03 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 1.43 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2k3x h ALA 106 CO 0.10 0.56 0.30 0.00 0.00 0.00 0.00 179.25 180.20 2k3x h MET 107 N 1.00 0.59 0.19 0.00 -0.00 -1.17 -1.79 114.93 113.75 2k3x h MET 107 Ca 0.22 -0.04 0.01 0.00 -0.00 0.00 0.00 59.70 59.90 2k3x h MET 107 Cb 0.27 -0.13 -0.03 0.00 -0.00 0.00 0.00 31.60 31.71 2k3x h MET 107 CO -0.01 0.39 -0.29 -0.22 -0.00 0.00 0.00 176.91 176.78 2k3x h LYS 108 N 0.61 -0.53 0.20 -0.10 1.63 -0.19 -1.54 116.57 116.64 2k3x h LYS 108 Ca 0.16 0.04 0.01 0.00 -0.85 0.00 0.00 60.65 60.01 2k3x h LYS 108 Cb -0.07 0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 2k3x h LYS 108 CO -0.04 -0.35 -0.25 0.87 -3.45 0.00 0.00 179.45 176.24 2k3x h LYS 109 N -0.55 -0.48 -0.33 1.90 1.57 -0.46 0.20 116.57 118.43 2k3x h LYS 109 Ca 0.01 0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 2k3x h LYS 109 Cb 0.54 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2k3x h LYS 109 CO -0.12 -0.32 -0.13 0.07 -0.57 0.00 0.00 179.45 178.38 2k3x h ARG 110 N -0.50 0.57 0.10 3.15 -0.00 -1.27 -2.58 114.38 113.85 2k3x h ARG 110 Ca 0.01 -0.17 -0.01 0.00 -0.00 0.00 0.00 59.98 59.81 2k3x h ARG 110 Cb 0.48 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 30.40 2k3x h ARG 110 CO -0.09 0.69 -0.05 -0.07 -0.00 0.00 0.00 179.97 180.45 2k3x h LEU 111 N 0.52 -0.12 -2.79 0.08 3.38 -0.94 -3.04 115.31 112.41 2k3x h LEU 111 Ca 0.09 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2k3x h LEU 111 Cb 0.53 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 2k3x h LEU 111 CO 0.03 0.11 -0.00 0.00 0.09 0.00 0.00 178.44 178.67 2k3x h ALA 112 N 0.53 1.15 0.00 1.53 0.00 -0.44 0.15 119.26 122.18 2k3x h ALA 112 Ca -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2k3x h ALA 112 Cb 0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2k3x h ALA 112 CO 0.02 0.00 -0.24 -0.97 0.00 0.00 0.00 179.25 178.06 2k3x h ASN 113 N 0.00 0.00 0.00 0.00 -1.24 -1.34 -3.13 115.58 109.88 2k3x h ASN 113 Ca -0.00 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.80 2k3x h ASN 113 Cb 0.02 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.09 2k3x h ASN 113 CO 0.00 0.24 -0.82 0.25 -1.29 0.00 0.00 177.43 175.82 2k3x h LEU 114 N 0.00 0.71 0.00 0.34 5.85 -0.78 -3.52 115.31 117.91 2k3x h LEU 114 Ca -0.00 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.96 2k3x h LEU 114 Cb 0.48 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2k3x h LEU 114 CO 0.03 1.38 0.00 1.21 -0.34 0.00 0.00 178.44 180.72