#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 0.00 2.03 0.11 -1.26 -5.08 120.40 116.28 2k3x s VAL 2 Ca 0.00 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 2k3x s VAL 2 Cb 0.00 -1.24 0.00 0.00 -1.53 0.00 0.00 36.38 33.61 2k3x s VAL 2 CO 0.00 -0.36 0.00 -0.67 -3.33 0.00 0.00 175.10 170.74 2k3x n ASP 3 N -0.20 0.00 -0.27 3.54 2.03 -1.26 -4.94 116.55 115.45 2k3x n ASP 3 Ca -0.15 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.19 2k3x n ASP 3 Cb 0.63 0.00 0.26 0.00 -0.72 0.00 0.00 41.12 41.29 2k3x n ASP 3 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2k3x h LEU 4 N 0.00 0.87 0.00 -2.67 -0.00 -1.98 -2.03 115.31 109.50 2k3x h LEU 4 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2k3x h LEU 4 Cb 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.47 2k3x h LEU 4 CO 0.00 0.57 0.00 -0.62 -0.00 0.00 0.00 178.44 178.39 2k3x n GLU 5 N -4.47 0.37 0.16 1.13 1.02 -1.26 -1.24 120.64 116.36 2k3x n GLU 5 Ca 0.12 0.06 0.04 0.00 -0.02 0.00 0.00 57.16 57.37 2k3x n GLU 5 Cb 0.17 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.25 2k3x n GLU 5 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2k3x h GLN 6 N 0.00 0.00 -7.05 3.49 4.15 -1.62 -3.25 115.11 110.83 2k3x h GLN 6 Ca 0.00 0.00 -0.46 0.00 0.77 0.00 0.00 58.65 58.96 2k3x h GLN 6 Cb 0.06 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 2k3x h GLN 6 CO 0.00 0.43 0.32 -1.21 -1.93 0.00 0.00 178.83 176.43 2k3x s GLU 7 N -3.22 4.12 0.39 1.69 2.02 -0.37 -3.96 118.70 119.37 2k3x s GLU 7 Ca 0.03 1.01 -0.25 0.00 0.02 0.00 0.00 54.97 55.77 2k3x s GLU 7 Cb 0.09 -2.20 -0.11 0.00 0.10 0.00 0.00 34.13 32.00 2k3x s GLU 7 CO 0.71 -0.07 1.05 1.97 0.02 0.00 0.00 175.26 178.94 2k3x n PHE 8 N -0.88 1.34 -4.11 1.61 -1.74 -1.26 -4.64 117.46 107.77 2k3x n PHE 8 Ca 0.06 0.58 -0.11 0.00 -0.56 0.00 0.00 57.45 57.43 2k3x n PHE 8 Cb 0.54 -2.26 -0.10 0.00 1.52 0.00 0.00 39.48 39.18 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 -1.21 0.74 -1.13 1.98 0.00 -1.26 -4.99 121.76 115.88 2k3x s ALA 9 Ca 0.61 -1.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.25 2k3x s ALA 9 Cb -0.58 0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2k3x s ALA 9 CO 0.58 -0.19 1.76 -0.51 0.00 0.00 0.00 175.76 177.41 2k3x s LEU 10 N -2.50 3.43 0.00 0.00 2.01 -1.26 -0.95 118.68 119.42 2k3x s LEU 10 Ca 0.03 -1.70 0.00 0.00 0.01 0.00 0.00 54.13 52.47 2k3x s LEU 10 Cb 0.00 -2.58 0.00 0.00 0.01 0.00 0.00 46.19 43.63 2k3x s LEU 10 CO -0.04 -2.03 0.00 0.61 1.01 0.00 0.00 176.35 175.90 2k3x n GLY 11 N 6.11 0.95 3.77 -3.19 0.00 -1.25 -5.01 105.19 106.56 2k3x n GLY 11 Ca 0.43 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.25 1.81 0.81 -0.02 0.00 -0.13 -4.82 107.32 102.73 2k3x s GLY 12 Ca 0.00 0.35 -0.08 0.00 0.00 0.00 0.00 44.72 44.99 2k3x s GLY 12 CO 0.00 0.70 1.13 0.50 0.00 0.00 0.00 173.10 175.43 2k3x s ARG 13 N -4.68 1.42 0.35 2.90 3.00 -1.26 -1.74 118.95 118.94 2k3x s ARG 13 Ca 0.63 -0.59 -0.05 0.00 0.00 0.00 0.00 55.73 55.72 2k3x s ARG 13 Cb -0.18 -2.10 0.02 0.00 0.00 0.00 0.00 34.95 32.69 2k3x s ARG 13 CO 0.52 -1.77 0.54 0.00 0.00 0.00 0.00 175.30 174.59 2k3x s LEU 15 N 0.00 2.02 0.03 0.00 2.01 -0.11 -0.47 118.68 122.16 2k3x s LEU 15 Ca 0.25 -0.09 0.03 0.00 0.01 0.00 0.00 54.13 54.33 2k3x s LEU 15 Cb -0.02 -0.21 -0.02 0.00 0.01 0.00 0.00 46.19 45.95 2k3x s LEU 15 CO 0.18 0.04 -0.10 0.00 1.01 0.00 0.00 176.35 177.48 2k3x s ALA 16 N -0.14 0.79 0.12 4.21 0.00 -0.41 -1.47 121.76 124.85 2k3x s ALA 16 Ca 0.01 -0.70 -0.16 0.00 0.00 0.00 0.00 51.96 51.11 2k3x s ALA 16 Cb -0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 23.12 22.96 2k3x s ALA 16 CO -0.00 0.10 0.55 -0.06 0.00 0.00 0.00 175.76 176.35 2k3x s PHE 17 N -0.95 3.68 -0.05 0.00 0.08 -0.71 -1.34 117.98 118.68 2k3x s PHE 17 Ca -0.03 1.13 0.00 0.00 0.12 0.00 0.00 56.93 58.16 2k3x s PHE 17 Cb -0.08 -2.41 -0.03 0.00 -0.57 0.00 0.00 43.02 39.93 2k3x s PHE 17 CO 0.01 0.49 -0.04 0.72 -0.10 0.00 0.00 175.22 176.30 2k3x n HIS 18 N 1.14 0.00 0.00 0.36 8.25 -0.10 -4.91 115.22 119.97 2k3x n HIS 18 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2k3x n HIS 18 Cb 0.51 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.44 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 3.25 0.34 0.25 -1.41 0.00 -1.26 -4.89 105.19 101.48 2k3x n GLY 19 Ca -0.08 0.04 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 2k3x n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3x h PRO 20 N 0.00 0.61 0.00 1.61 0.13 -2.03 -3.47 132.00 128.85 2k3x h PRO 20 Ca 0.00 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2k3x h PRO 20 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 2k3x h PRO 20 CO 0.00 0.77 0.00 -0.11 -0.23 0.00 0.00 178.00 178.43 2k3x n LEU 21 N -4.14 0.00 -3.78 1.56 7.94 -1.26 -4.98 117.00 112.35 2k3x n LEU 21 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.78 2k3x n LEU 21 Cb 0.39 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.22 2k3x n LEU 21 CO 0.42 0.00 -0.10 -0.32 -1.11 0.00 0.00 177.39 176.29 2k3x s MET 22 N -1.80 0.27 0.20 1.96 -2.45 -1.26 -0.92 119.30 115.30 2k3x s MET 22 Ca 0.00 0.38 0.02 0.00 -1.25 0.00 0.00 55.69 54.84 2k3x s MET 22 Cb 0.00 0.09 -0.05 0.00 1.25 0.00 0.00 34.83 36.12 2k3x s MET 22 CO 0.00 -0.06 0.01 0.71 1.05 0.00 0.00 175.02 176.73 2k3x s TYR 23 N 0.35 1.35 0.32 4.11 2.02 -0.45 -4.94 117.35 120.11 2k3x s TYR 23 Ca -0.02 -1.00 -0.28 0.00 -0.37 0.00 0.00 57.07 55.41 2k3x s TYR 23 Cb -0.03 -0.77 -0.09 0.00 -0.40 0.00 0.00 41.96 40.66 2k3x s TYR 23 CO -0.01 -0.16 1.13 -1.21 -1.57 0.00 0.00 175.55 173.72 2k3x s GLU 24 N -3.91 4.44 0.19 -0.62 8.01 -1.26 -1.29 118.70 124.28 2k3x s GLU 24 Ca 0.26 1.83 0.09 0.00 0.01 0.00 0.00 54.97 57.16 2k3x s GLU 24 Cb 0.06 -3.00 -0.04 0.00 -4.31 0.00 0.00 34.13 26.83 2k3x s GLU 24 CO 0.06 0.03 -0.19 0.00 0.01 0.00 0.00 175.26 175.17 2k3x s ALA 25 N -1.27 2.21 -0.32 5.21 0.00 0.38 -0.80 121.76 127.18 2k3x s ALA 25 Ca 0.49 -1.60 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 2k3x s ALA 25 Cb -0.31 -0.20 0.14 0.00 0.00 0.00 0.00 23.12 22.74 2k3x s ALA 25 CO 0.40 0.24 0.27 0.21 0.00 0.00 0.00 175.76 176.89 2k3x s LYS 26 N -3.03 0.43 0.32 0.00 2.20 -0.72 -0.37 119.74 118.57 2k3x s LYS 26 Ca 0.20 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 54.88 2k3x s LYS 26 Cb -0.05 -0.89 -0.11 0.00 -1.51 0.00 0.00 37.83 35.27 2k3x s LYS 26 CO 0.08 -1.11 1.44 0.42 -0.36 0.00 0.00 175.35 175.82 2k3x s ILE 27 N 1.81 2.42 0.18 5.43 1.01 -0.71 -1.52 121.20 129.82 2k3x s ILE 27 Ca 0.13 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.17 2k3x s ILE 27 Cb -0.16 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.06 2k3x s ILE 27 CO -0.19 0.08 0.00 -0.11 0.00 0.00 0.00 174.94 174.72 2k3x n LEU 28 N 1.32 0.13 -4.81 2.97 0.00 -0.57 -3.91 117.00 112.13 2k3x n LEU 28 Ca 0.03 0.30 -0.37 0.00 0.00 0.00 0.00 56.01 55.97 2k3x n LEU 28 Cb 0.40 0.16 -0.07 0.00 0.00 0.00 0.00 43.42 43.91 2k3x n LEU 28 CO 0.61 -0.71 -0.06 -0.75 0.00 0.00 0.00 177.39 176.48 2k3x s LYS 29 N -1.73 3.87 0.18 1.96 2.20 -1.16 -3.95 119.74 121.11 2k3x s LYS 29 Ca 0.00 0.06 0.07 0.00 -0.36 0.00 0.00 55.97 55.74 2k3x s LYS 29 Cb 0.00 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 2k3x s LYS 29 CO 0.00 0.55 -0.15 0.96 -0.36 0.00 0.00 175.35 176.36 2k3x s ILE 30 N -0.47 1.64 0.06 5.43 -0.00 -0.00 -0.32 121.20 127.54 2k3x s ILE 30 Ca 0.17 -2.07 0.03 0.00 -0.00 0.00 0.00 60.65 58.77 2k3x s ILE 30 Cb -0.13 -1.91 -0.03 0.00 -0.00 0.00 0.00 42.46 40.38 2k3x s ILE 30 CO 0.06 -0.53 -0.09 0.86 -0.00 0.00 0.00 174.94 175.23 2k3x s TRP 31 N -2.72 0.80 -0.22 1.37 -0.11 0.11 -0.40 118.94 117.78 2k3x s TRP 31 Ca 0.19 -0.54 -0.04 0.00 1.22 0.00 0.00 56.10 56.93 2k3x s TRP 31 Cb -0.02 -0.47 0.11 0.00 -1.50 0.00 0.00 33.47 31.59 2k3x s TRP 31 CO 0.06 -0.06 0.33 0.34 -4.62 0.00 0.00 176.95 173.00 2k3x s ASP 32 N -1.79 0.47 0.04 5.86 2.15 -1.18 -1.52 116.67 120.72 2k3x s ASP 32 Ca -0.06 0.25 0.06 0.00 0.43 0.00 0.00 52.55 53.23 2k3x s ASP 32 Cb -0.08 0.92 0.27 0.00 -0.30 0.00 0.00 42.92 43.73 2k3x s ASP 32 CO 0.00 -0.29 1.18 -0.81 -0.17 0.00 0.00 175.17 175.08 2k3x n PRO 33 N 5.35 0.02 0.28 4.34 -0.04 -1.26 -0.91 135.00 142.79 2k3x n PRO 33 Ca -0.05 0.47 0.16 0.00 -0.04 0.00 0.00 63.50 64.04 2k3x n PRO 33 Cb 0.50 -1.56 0.83 0.00 -0.04 0.00 0.00 33.50 33.22 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 -3.08 113.55 112.10 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 0.07 -0.20 -1.20 -1.14 0.00 0.00 176.83 174.36 2k3x n SER 35 N -3.45 1.02 -4.05 3.07 7.64 -0.68 -5.04 113.62 112.13 2k3x n SER 35 Ca -0.02 -0.34 -0.33 0.00 1.01 0.00 0.00 58.87 59.19 2k3x n SER 35 Cb 0.21 0.89 -0.01 0.00 -1.01 0.00 0.00 64.21 64.29 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 -0.99 -3.97 -3.63 1.43 4.81 -0.09 -4.93 118.16 110.79 2k3x n LYS 36 Ca 0.00 0.46 -0.12 0.00 -0.87 0.00 0.00 58.31 57.77 2k3x n LYS 36 Cb 0.00 -5.24 -0.02 0.00 0.02 0.00 0.00 35.03 29.78 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 -4.42 0.64 -1.42 1.64 2.81 -1.25 -4.91 117.12 110.20 2k3x n MET 37 Ca 0.06 -2.38 0.00 0.00 -1.81 0.00 0.00 57.70 53.57 2k3x n MET 37 Cb 0.50 2.33 0.00 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 -0.71 -3.49 2.03 0.18 -1.26 -3.07 117.16 110.34 2k3x n TYR 38 Ca -0.00 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.68 2k3x n TYR 38 Cb 0.51 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.44 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 -0.13 0.00 0.27 -3.48 -4.23 0.46 -3.51 115.64 105.02 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 0.03 0.00 1.34 0.00 0.00 72.50 72.87 2k3x s THR 39 CO 0.00 0.00 0.71 -0.55 -0.54 0.00 0.00 174.62 174.24 2k3x s SER 40 N -2.34 -0.29 0.02 3.99 0.15 -1.24 -0.82 113.70 113.17 2k3x s SER 40 Ca 0.03 -0.55 -0.00 0.00 0.70 0.00 0.00 55.95 56.13 2k3x s SER 40 Cb -0.01 0.71 -0.02 0.00 -1.71 0.00 0.00 66.02 64.99 2k3x s SER 40 CO -0.08 -1.31 -0.03 0.27 1.20 0.00 0.00 173.24 173.30 2k3x s ILE 41 N -3.89 0.11 0.00 6.45 -5.25 -1.25 -0.99 121.20 116.38 2k3x s ILE 41 Ca 0.10 -0.94 0.00 0.00 -0.99 0.00 0.00 60.65 58.82 2k3x s ILE 41 Cb -0.05 -0.31 0.00 0.00 2.95 0.00 0.00 42.46 45.04 2k3x s ILE 41 CO 0.05 -0.52 1.22 -0.81 -1.79 0.00 0.00 174.94 173.09 2k3x n PRO 42 N 1.54 0.92 -0.33 0.37 -0.04 -1.24 -4.43 135.00 131.79 2k3x n PRO 42 Ca -0.24 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.21 2k3x n PRO 42 Cb 0.55 -1.04 0.14 0.00 -0.04 0.00 0.00 33.50 33.12 2k3x n PRO 42 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2k3x h ASN 43 N 0.50 1.08 -5.01 3.54 -0.73 -1.91 -3.46 115.58 109.57 2k3x h ASN 43 Ca 0.00 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.13 2k3x h ASN 43 Cb 0.92 -0.27 -0.10 0.00 0.27 0.00 0.00 38.32 39.15 2k3x h ASN 43 CO 0.00 0.80 0.18 -0.62 -0.37 0.00 0.00 177.43 177.42 2k3x s ASP 44 N -6.21 -0.43 0.80 1.15 2.15 -1.26 -5.11 116.67 107.76 2k3x s ASP 44 Ca -0.12 -0.24 -0.11 0.00 0.43 0.00 0.00 52.55 52.51 2k3x s ASP 44 Cb 0.18 0.63 0.07 0.00 -0.30 0.00 0.00 42.92 43.50 2k3x s ASP 44 CO 0.81 -1.08 1.09 -1.59 -0.17 0.00 0.00 175.17 174.23 2k3x s LYS 45 N -3.81 2.06 0.03 4.34 -2.85 -1.26 -3.91 119.74 114.33 2k3x s LYS 45 Ca 0.05 0.97 -0.17 0.00 -1.00 0.00 0.00 55.97 55.82 2k3x s LYS 45 Cb -0.02 -1.89 -0.09 0.00 -2.06 0.00 0.00 37.83 33.76 2k3x s LYS 45 CO -0.06 -1.73 1.25 -1.35 0.10 0.00 0.00 175.35 173.56 2k3x h PRO 46 N -1.18 -0.59 0.00 1.78 0.11 -1.96 -3.45 132.00 126.71 2k3x h PRO 46 Ca -0.46 0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 2k3x h PRO 46 Cb 1.25 0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.48 2k3x h PRO 46 CO 0.54 -0.39 -0.02 0.41 -0.21 0.00 0.00 178.00 178.32 2k3x n GLY 47 N -1.30 0.57 0.00 -0.55 0.00 -1.26 -4.75 105.19 97.91 2k3x n GLY 47 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.34 3.50 -0.02 0.00 -1.26 -4.98 105.19 102.77 2k3x n GLY 48 Ca -0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.79 -1.20 1.61 0.01 -1.26 -4.86 113.70 108.79 2k3x s SER 49 Ca 0.00 1.10 -0.15 0.00 1.31 0.00 0.00 55.95 58.20 2k3x s SER 49 Cb 0.00 -1.66 -0.05 0.00 0.21 0.00 0.00 66.02 64.52 2k3x s SER 49 CO 0.00 -4.26 2.21 -1.20 0.41 0.00 0.00 173.24 170.40 2k3x n SER 50 N -4.91 4.17 -4.40 2.44 7.64 -1.26 -4.64 113.62 112.65 2k3x n SER 50 Ca 0.07 -2.70 -0.37 0.00 1.01 0.00 0.00 58.87 56.88 2k3x n SER 50 Cb 0.57 -1.41 -0.07 0.00 -1.01 0.00 0.00 64.21 62.29 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 5.87 -1.28 -1.85 1.43 7.27 -1.26 -1.80 117.38 125.76 2k3x n GLN 51 Ca 0.54 0.17 -0.11 0.00 0.07 0.00 0.00 57.00 57.67 2k3x n GLN 51 Cb 0.35 -4.43 -0.03 0.00 2.41 0.00 0.00 30.24 28.54 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 -4.28 -0.46 -0.32 1.69 0.00 -1.25 -4.22 120.51 111.66 2k3x n ALA 52 Ca -0.04 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2k3x n ALA 52 Cb 0.54 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.49 0.00 -3.48 0.00 -1.04 -0.74 -3.73 114.28 102.80 2k3x n THR 53 Ca -0.12 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.85 2k3x n THR 53 Cb 0.48 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.01 2k3x n THR 53 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2k3x n LYS 54 N 0.00 0.52 -1.79 -2.82 2.85 -1.26 -4.73 118.16 110.93 2k3x n LYS 54 Ca 0.00 -1.05 -0.31 0.00 -1.05 0.00 0.00 58.31 55.89 2k3x n LYS 54 Cb 0.00 1.34 -0.04 0.00 -0.65 0.00 0.00 35.03 35.68 2k3x n LYS 54 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2k3x s GLU 55 N -2.04 2.24 -0.10 -1.58 2.02 -1.26 -3.90 118.70 114.07 2k3x s GLU 55 Ca 0.09 0.72 -0.30 0.00 0.02 0.00 0.00 54.97 55.50 2k3x s GLU 55 Cb -0.02 -4.64 -0.03 0.00 0.10 0.00 0.00 34.13 29.54 2k3x s GLU 55 CO 0.05 -3.35 1.28 0.42 0.02 0.00 0.00 175.26 173.69 2k3x s ILE 56 N 11.39 4.16 0.52 -1.63 1.01 -0.16 -4.94 121.20 131.55 2k3x s ILE 56 Ca 0.83 1.45 -0.20 0.00 0.00 0.00 0.00 60.65 62.72 2k3x s ILE 56 Cb -0.13 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 2k3x s ILE 56 CO 0.17 -0.07 1.14 -0.54 0.00 0.00 0.00 174.94 175.63 2k3x s LYS 57 N 2.99 3.48 0.08 2.79 1.02 -1.26 -3.61 119.74 125.22 2k3x s LYS 57 Ca 0.57 1.65 -0.35 0.00 0.02 0.00 0.00 55.97 57.87 2k3x s LYS 57 Cb -0.25 -2.12 -0.14 0.00 -0.52 0.00 0.00 37.83 34.81 2k3x s LYS 57 CO 0.19 -0.75 1.61 -2.30 -0.92 0.00 0.00 175.35 173.18 2k3x n PRO 58 N -1.06 1.95 -3.99 -1.68 -0.02 -1.23 -4.78 135.00 124.20 2k3x n PRO 58 Ca 0.10 0.71 -0.08 0.00 -2.02 0.00 0.00 63.50 62.21 2k3x n PRO 58 Cb 0.50 -2.47 -0.10 0.00 -0.02 0.00 0.00 33.50 31.42 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 1.62 0.59 0.48 -0.52 -1.52 -1.26 -4.98 119.66 114.07 2k3x s GLN 59 Ca 0.83 -0.93 -0.20 0.00 -1.95 0.00 0.00 55.36 53.11 2k3x s GLN 59 Cb -0.74 0.22 -0.12 0.00 -0.22 0.00 0.00 33.01 32.15 2k3x s GLN 59 CO 0.43 -0.13 0.42 1.63 -0.25 0.00 0.00 175.29 177.39 2k3x n LYS 60 N 0.55 0.45 -4.42 2.91 5.02 -1.26 -4.21 118.16 117.19 2k3x n LYS 60 Ca -0.17 0.17 -0.26 0.00 -2.02 0.00 0.00 58.31 56.02 2k3x n LYS 60 Cb 0.59 -1.48 -0.12 0.00 -0.02 0.00 0.00 35.03 34.01 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 1.98 2.45 0.00 -0.35 1.98 -1.26 -4.88 118.68 118.60 2k3x s LEU 61 Ca 0.64 -0.88 0.00 0.00 -2.89 0.00 0.00 54.13 51.00 2k3x s LEU 61 Cb -0.53 -1.15 0.00 0.00 0.66 0.00 0.00 46.19 45.17 2k3x s LEU 61 CO 0.58 0.11 0.00 0.61 -1.89 0.00 0.00 176.35 175.76 2k3x n GLY 62 N 0.20 1.88 0.11 7.98 0.00 -1.26 -5.05 105.19 109.05 2k3x n GLY 62 Ca -0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.16 0.00 1.61 5.08 -2.02 -3.44 114.58 115.97 2k3x h GLU 63 Ca 0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2k3x h GLU 63 Cb 0.00 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k3x h GLU 63 CO 0.00 0.92 0.00 -3.47 -1.00 0.00 0.00 179.01 175.46 2k3x n ASP 64 N -3.31 0.00 -3.94 1.42 2.03 -1.26 -5.13 116.55 106.37 2k3x n ASP 64 Ca -0.24 -1.00 -0.09 0.00 0.52 0.00 0.00 54.79 53.97 2k3x n ASP 64 Cb 1.05 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.39 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 1.35 -0.16 -0.67 1.03 -1.26 -5.12 118.70 113.88 2k3x s GLU 65 Ca 0.00 -1.15 -0.22 0.00 0.03 0.00 0.00 54.97 53.63 2k3x s GLU 65 Cb 0.00 0.44 0.05 0.00 -0.80 0.00 0.00 34.13 33.82 2k3x s GLU 65 CO 0.00 -0.54 0.57 -1.12 -1.33 0.00 0.00 175.26 172.84 2k3x s SER 66 N -2.97 -0.56 -0.35 0.83 0.01 -1.26 -4.08 113.70 105.31 2k3x s SER 66 Ca 0.18 0.93 -0.10 0.00 1.31 0.00 0.00 55.95 58.28 2k3x s SER 66 Cb 0.01 0.93 0.02 0.00 0.21 0.00 0.00 66.02 67.19 2k3x s SER 66 CO 0.03 -0.32 0.17 0.27 0.41 0.00 0.00 173.24 173.80 2k3x s ILE 67 N -0.22 4.46 0.71 1.44 -0.00 -1.26 -4.76 121.20 121.57 2k3x s ILE 67 Ca -0.04 -0.74 -0.16 0.00 -0.00 0.00 0.00 60.65 59.71 2k3x s ILE 67 Cb -0.03 -3.41 -0.00 0.00 -0.00 0.00 0.00 42.46 39.01 2k3x s ILE 67 CO 0.03 -0.11 0.98 -2.65 -0.00 0.00 0.00 174.94 173.19 2k3x n PRO 68 N 4.97 0.58 0.22 0.37 -0.02 -1.26 -4.79 135.00 135.07 2k3x n PRO 68 Ca -0.13 0.25 0.17 0.00 -2.02 0.00 0.00 63.50 61.77 2k3x n PRO 68 Cb 0.47 -2.23 0.84 0.00 -0.02 0.00 0.00 33.50 32.55 2k3x n PRO 68 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k3x h GLU 69 N -0.14 0.00 -0.78 -0.52 5.08 -1.99 -1.47 114.58 114.76 2k3x h GLU 69 Ca -0.48 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 57.97 2k3x h GLU 69 Cb 1.34 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.53 2k3x h GLU 69 CO 0.48 0.00 0.51 1.49 -1.00 0.00 0.00 179.01 180.49 2k3x h GLU 70 N 0.00 0.71 0.00 2.33 4.81 -2.04 -3.16 114.58 117.22 2k3x h GLU 70 Ca 0.07 -0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 58.98 2k3x h GLU 70 Cb 0.41 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.58 2k3x h GLU 70 CO -0.00 0.47 -2.07 0.44 -0.73 0.00 0.00 179.01 177.12 2k3x n ILE 71 N -4.50 1.05 -0.31 2.32 -5.35 -0.61 -4.69 119.36 107.26 2k3x n ILE 71 Ca 0.13 -0.66 0.18 0.00 -0.27 0.00 0.00 62.75 62.13 2k3x n ILE 71 Cb 0.31 -0.57 0.44 0.00 -1.74 0.00 0.00 39.64 38.08 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 0.63 0.00 7.28 2.04 -1.36 -1.80 117.51 124.29 2k3x h ILE 72 Ca -0.42 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.26 2k3x h ILE 72 Cb 1.94 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2k3x h ILE 72 CO 0.02 0.10 0.00 -0.46 0.00 0.00 0.00 178.15 177.81 2k3x n ASN 73 N -4.66 0.00 -3.64 1.72 0.23 -1.26 -4.14 115.26 103.52 2k3x n ASN 73 Ca 0.23 -0.79 -0.20 0.00 -0.53 0.00 0.00 54.58 53.29 2k3x n ASN 73 Cb 0.72 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.33 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 -1.77 2.27 0.39 4.83 0.00 -0.68 -4.97 107.32 107.38 2k3x s GLY 74 Ca 0.16 -1.85 -0.26 0.00 0.00 0.00 0.00 44.72 42.77 2k3x s GLY 74 CO 0.13 -1.54 1.14 0.28 0.00 0.00 0.00 173.10 173.10 2k3x n LYS 75 N -0.64 1.67 -4.35 2.90 4.76 -1.26 -4.44 118.16 116.80 2k3x n LYS 75 Ca 0.04 0.59 -0.21 0.00 -2.87 0.00 0.00 58.31 55.86 2k3x n LYS 75 Cb 0.63 -2.17 -0.11 0.00 -1.84 0.00 0.00 35.03 31.55 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 -2.41 0.56 -0.24 0.00 0.40 0.12 -0.71 117.98 115.69 2k3x s PHE 77 Ca 0.19 -0.87 -0.29 0.00 -0.60 0.00 0.00 56.93 55.37 2k3x s PHE 77 Cb -0.04 -0.98 -0.02 0.00 0.51 0.00 0.00 43.02 42.49 2k3x s PHE 77 CO 0.07 -0.74 1.56 0.12 0.70 0.00 0.00 175.22 176.94 2k3x s PHE 78 N 2.02 2.20 0.01 0.36 5.36 0.57 -1.52 117.98 126.97 2k3x s PHE 78 Ca 0.06 0.60 0.05 0.00 -0.96 0.00 0.00 56.93 56.69 2k3x s PHE 78 Cb -0.16 -3.98 -0.02 0.00 -0.34 0.00 0.00 43.02 38.52 2k3x s PHE 78 CO -0.26 -2.71 -0.16 0.96 -1.46 0.00 0.00 175.22 171.59 2k3x s ILE 79 N 5.11 1.25 -0.22 3.12 -4.36 -0.68 -1.51 121.20 123.91 2k3x s ILE 79 Ca 0.69 -0.85 -0.29 0.00 -0.26 0.00 0.00 60.65 59.93 2k3x s ILE 79 Cb -0.23 -1.08 0.00 0.00 1.25 0.00 0.00 42.46 42.40 2k3x s ILE 79 CO 0.28 0.21 1.12 -2.28 0.24 0.00 0.00 174.94 174.51 2k3x s HIS 80 N -0.59 3.15 -0.82 1.37 5.65 -0.57 -1.74 115.29 121.73 2k3x s HIS 80 Ca 0.05 1.28 -0.25 0.00 0.25 0.00 0.00 55.06 56.39 2k3x s HIS 80 Cb -0.07 -3.40 0.01 0.00 -1.18 0.00 0.00 32.58 27.94 2k3x s HIS 80 CO 0.00 -0.92 1.57 0.71 -0.65 0.00 0.00 174.74 175.45 2k3x s TYR 81 N 3.38 2.14 0.66 3.88 2.02 -1.21 -1.75 117.35 126.47 2k3x s TYR 81 Ca 0.48 0.01 -0.12 0.00 -0.37 0.00 0.00 57.07 57.07 2k3x s TYR 81 Cb -0.17 -4.43 -0.01 0.00 -0.40 0.00 0.00 41.96 36.95 2k3x s TYR 81 CO 0.10 -2.03 1.06 -0.65 -1.57 0.00 0.00 175.55 172.46 2k3x s GLN 82 N 6.01 3.05 0.00 -0.62 -0.21 0.02 -2.99 119.66 124.93 2k3x s GLN 82 Ca 0.51 1.05 0.00 0.00 0.02 0.00 0.00 55.36 56.94 2k3x s GLN 82 Cb -0.06 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.94 2k3x s GLN 82 CO 0.06 -1.01 0.00 0.41 -2.12 0.00 0.00 175.29 172.63 2k3x n GLY 83 N -1.61 0.70 3.22 3.09 0.00 -1.26 -4.07 105.19 105.26 2k3x n GLY 83 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.05 1.32 0.43 1.61 0.52 -1.16 -5.12 118.94 113.48 2k3x s TRP 84 Ca 0.00 -1.45 -0.26 0.00 0.02 0.00 0.00 56.10 54.41 2k3x s TRP 84 Cb 0.00 -0.61 -0.09 0.00 -1.15 0.00 0.00 33.47 31.62 2k3x s TRP 84 CO 0.00 -0.70 1.44 1.63 0.02 0.00 0.00 176.95 179.34 2k3x n LYS 85 N -0.37 2.35 0.07 4.98 4.76 -1.26 -4.88 118.16 123.82 2k3x n LYS 85 Ca 0.03 0.83 0.05 0.00 -2.87 0.00 0.00 58.31 56.36 2k3x n LYS 85 Cb 0.65 -2.62 0.27 0.00 -1.84 0.00 0.00 35.03 31.49 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 0.03 0.25 0.29 4.39 7.64 -1.26 -0.92 113.62 124.05 2k3x n SER 86 Ca 0.04 0.62 0.18 0.00 1.01 0.00 0.00 58.87 60.72 2k3x n SER 86 Cb 0.40 -0.65 0.98 0.00 -1.01 0.00 0.00 64.21 63.94 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 -0.27 6.43 0.02 -1.97 -1.53 113.55 116.23 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 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 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 -3.55 0.94 -1.87 3.45 7.02 -0.10 -4.79 117.44 118.54 2k3x n TRP 88 Ca -0.02 -0.33 -0.31 0.00 -1.02 0.00 0.00 57.50 55.82 2k3x n TRP 88 Cb 0.15 -0.28 -0.04 0.00 -2.42 0.00 0.00 31.31 28.72 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 -0.40 4.85 0.01 -0.99 1.01 -0.58 -3.30 116.67 117.27 2k3x s ASP 89 Ca 0.25 0.19 0.00 0.00 0.71 0.00 0.00 52.55 53.70 2k3x s ASP 89 Cb 0.19 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.57 2k3x s ASP 89 CO 0.08 -2.81 -0.03 -0.70 0.21 0.00 0.00 175.17 171.92 2k3x s GLU 90 N 7.58 0.23 0.61 8.23 2.56 -0.71 -4.90 118.70 132.29 2k3x s GLU 90 Ca 0.78 -0.38 -0.15 0.00 0.00 0.00 0.00 54.97 55.23 2k3x s GLU 90 Cb -0.12 -0.00 -0.03 0.00 2.00 0.00 0.00 34.13 35.98 2k3x s GLU 90 CO 0.14 -0.01 1.05 -1.58 -0.56 0.00 0.00 175.26 174.30 2k3x s TRP 91 N -0.85 3.08 0.09 5.30 0.52 -1.26 -1.69 118.94 124.13 2k3x s TRP 91 Ca -0.09 1.48 0.00 0.00 0.02 0.00 0.00 56.10 57.52 2k3x s TRP 91 Cb -0.06 -2.95 -0.04 0.00 -1.15 0.00 0.00 33.47 29.27 2k3x s TRP 91 CO -0.00 -1.05 -0.03 0.14 0.02 0.00 0.00 176.95 176.02 2k3x s VAL 92 N -2.63 0.42 0.51 4.03 -7.23 -0.58 -4.93 120.40 109.99 2k3x s VAL 92 Ca 0.62 -1.88 0.06 0.00 -1.81 0.00 0.00 61.98 58.96 2k3x s VAL 92 Cb -0.15 -1.70 0.04 0.00 0.56 0.00 0.00 36.38 35.13 2k3x s VAL 92 CO 0.41 -0.84 0.70 -0.83 -0.31 0.00 0.00 175.10 174.23 2k3x s GLY 93 N -3.00 1.86 0.65 2.32 0.00 -1.26 -0.71 107.32 107.18 2k3x s GLY 93 Ca 0.13 -1.65 0.43 0.00 0.00 0.00 0.00 44.72 43.62 2k3x s GLY 93 CO -0.05 -1.37 2.32 -1.82 0.00 0.00 0.00 173.10 172.19 2k3x h TYR 94 N 0.30 0.00 -0.31 1.90 5.03 -1.79 -0.41 116.97 121.68 2k3x h TYR 94 Ca -0.39 0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.02 2k3x h TYR 94 Cb 1.29 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.55 2k3x h TYR 94 CO 0.35 0.00 0.31 0.22 -1.32 0.00 0.00 178.16 177.72 2k3x h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.94 -3.23 116.42 112.72 2k3x h ASP 95 Ca -0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 2k3x h ASP 95 Cb 0.06 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2k3x h ASP 95 CO 0.00 0.00 -1.23 0.54 -2.88 0.00 0.00 179.24 175.67 2k3x n ARG 96 N -3.89 2.20 -4.11 0.28 5.12 -0.27 -4.97 116.66 111.03 2k3x n ARG 96 Ca 0.05 0.01 -0.27 0.00 -1.93 0.00 0.00 57.85 55.70 2k3x n ARG 96 Cb 0.47 -1.08 -0.06 0.00 -1.16 0.00 0.00 32.46 30.62 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 -2.08 4.31 0.03 0.55 2.07 -0.56 -1.74 121.20 123.78 2k3x s ILE 97 Ca -0.03 -1.10 -0.12 0.00 -1.41 0.00 0.00 60.65 57.99 2k3x s ILE 97 Cb 0.01 -3.17 0.01 0.00 0.13 0.00 0.00 42.46 39.45 2k3x s ILE 97 CO 0.12 -0.06 0.25 -0.13 -1.91 0.00 0.00 174.94 173.20 2k3x s ARG 98 N -2.92 0.72 0.80 3.50 0.52 -0.54 -4.54 118.95 116.49 2k3x s ARG 98 Ca 0.30 -0.51 -0.11 0.00 -0.52 0.00 0.00 55.73 54.89 2k3x s ARG 98 Cb -0.10 0.30 0.07 0.00 0.52 0.00 0.00 34.95 35.74 2k3x s ARG 98 CO 0.22 -0.21 1.09 0.00 0.02 0.00 0.00 175.30 176.41 2k3x s ALA 99 N -2.31 2.11 -0.47 2.13 0.00 -1.25 -0.94 121.76 121.02 2k3x s ALA 99 Ca -0.07 0.10 -0.28 0.00 0.00 0.00 0.00 51.96 51.72 2k3x s ALA 99 Cb -0.02 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 2k3x s ALA 99 CO -0.02 -1.86 1.78 -0.47 0.00 0.00 0.00 175.76 175.19 2k3x s TYR 100 N -2.96 1.80 0.28 0.00 5.04 0.26 -4.69 117.35 117.09 2k3x s TYR 100 Ca 0.61 0.71 -0.20 0.00 -2.44 0.00 0.00 57.07 55.75 2k3x s TYR 100 Cb -0.17 -4.13 0.04 0.00 0.35 0.00 0.00 41.96 38.05 2k3x s TYR 100 CO 0.56 -2.53 0.79 0.54 -1.34 0.00 0.00 175.55 173.57 2k3x s ASN 101 N 6.81 -0.17 0.37 4.32 2.20 -1.26 -4.60 114.94 122.60 2k3x s ASN 101 Ca 0.72 -0.71 0.07 0.00 -0.94 0.00 0.00 52.86 52.00 2k3x s ASN 101 Cb -0.17 0.71 0.78 0.00 -2.00 0.00 0.00 41.25 40.58 2k3x s ASN 101 CO 0.27 -1.35 1.95 -0.08 -2.94 0.00 0.00 177.10 174.96 2k3x h GLU 102 N 2.00 0.69 -0.67 3.55 4.81 -1.96 0.30 114.58 123.30 2k3x h GLU 102 Ca -0.23 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 2k3x h GLU 102 Cb 1.25 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2k3x h GLU 102 CO 0.28 0.46 0.39 1.49 -0.73 0.00 0.00 179.01 180.90 2k3x h GLU 103 N 0.71 0.91 0.00 1.92 4.81 -1.97 0.14 114.58 121.10 2k3x h GLU 103 Ca 0.32 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2k3x h GLU 103 Cb 0.34 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2k3x h GLU 103 CO -0.11 0.65 -0.84 -0.91 -0.73 0.00 0.00 179.01 177.07 2k3x h ASN 104 N 0.92 0.00 1.12 1.04 2.35 -1.28 -1.57 115.58 118.16 2k3x h ASN 104 Ca 0.24 -0.08 -0.18 0.00 -0.55 0.00 0.00 56.30 55.73 2k3x h ASN 104 Cb -0.02 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 2k3x h ASN 104 CO -0.04 0.04 -0.88 0.40 -1.65 0.00 0.00 177.43 175.29 2k3x h ILE 105 N 0.00 1.45 -0.30 2.81 5.03 -0.96 0.37 117.51 125.91 2k3x h ILE 105 Ca 0.00 -3.07 -0.07 0.00 -0.12 0.00 0.00 64.86 61.60 2k3x h ILE 105 Cb 0.91 2.72 -0.01 0.00 -3.03 0.00 0.00 36.82 37.41 2k3x h ILE 105 CO 0.00 0.83 -0.09 0.00 -0.68 0.00 0.00 178.15 178.21 2k3x h ALA 106 N 1.14 0.42 -0.12 1.87 0.00 -0.57 -0.27 119.26 121.73 2k3x h ALA 106 Ca -0.02 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.65 2k3x h ALA 106 Cb 1.67 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.29 2k3x h ALA 106 CO 0.11 0.26 -0.31 0.52 0.00 0.00 0.00 179.25 179.82 2k3x h MET 107 N 0.36 -0.38 0.38 0.00 2.07 -1.28 -1.51 114.93 114.57 2k3x h MET 107 Ca 0.08 0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.72 2k3x h MET 107 Cb 0.58 0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.38 2k3x h MET 107 CO 0.03 -0.26 -0.30 -0.22 1.07 0.00 0.00 176.91 177.24 2k3x h LYS 108 N -0.40 -0.66 -0.32 1.72 1.63 -0.55 -0.75 116.57 117.24 2k3x h LYS 108 Ca 0.09 0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.83 2k3x h LYS 108 Cb 0.54 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 2k3x h LYS 108 CO -0.34 -0.44 -0.25 1.57 -3.45 0.00 0.00 179.45 176.54 2k3x h LYS 109 N -0.68 0.63 -0.01 1.90 2.10 -1.01 0.13 116.57 119.62 2k3x h LYS 109 Ca -0.03 -0.25 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2k3x h LYS 109 Cb 0.59 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.89 2k3x h LYS 109 CO -0.01 0.82 0.01 -0.09 -2.00 0.00 0.00 179.45 178.18 2k3x h ARG 110 N 0.55 0.02 -0.58 0.07 1.12 -1.01 -2.86 114.38 111.69 2k3x h ARG 110 Ca 0.08 -0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.84 2k3x h ARG 110 Cb 0.72 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.65 2k3x h ARG 110 CO 0.06 0.01 -0.04 -0.07 -3.11 0.00 0.00 179.97 176.81 2k3x h LEU 111 N 0.01 1.05 -1.53 3.80 3.38 -0.76 -2.76 115.31 118.49 2k3x h LEU 111 Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2k3x h LEU 111 Cb -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 2k3x h LEU 111 CO -0.00 1.12 0.02 0.00 0.09 0.00 0.00 178.44 179.66 2k3x h ALA 112 N 0.96 1.01 0.00 1.53 0.00 -0.57 0.18 119.26 122.37 2k3x h ALA 112 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 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 -0.01 -0.35 -2.95 0.00 0.00 0.00 179.25 175.98 2k3x h ASN 113 N 0.00 0.00 -0.06 0.00 7.08 -1.27 -3.18 115.58 118.15 2k3x h ASN 113 Ca 0.00 0.00 -0.12 0.00 -3.08 0.00 0.00 56.30 53.10 2k3x h ASN 113 Cb 0.03 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.28 2k3x h ASN 113 CO 0.00 0.35 -0.43 0.25 -2.08 0.00 0.00 177.43 175.52 2k3x h LEU 114 N 0.00 0.48 0.00 6.14 5.85 -0.81 -3.53 115.31 123.44 2k3x h LEU 114 Ca -0.00 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.04 2k3x h LEU 114 Cb 0.65 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.54 2k3x h LEU 114 CO 0.04 1.08 0.00 1.21 -0.34 0.00 0.00 178.44 180.44