#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 0.93 -0.42 2.03 2.07 -2.00 -0.71 116.25 118.14 2k3x h VAL 2 Ca 0.00 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2k3x h VAL 2 Cb 0.00 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.81 2k3x h VAL 2 CO 0.00 0.15 0.12 -0.78 0.02 0.00 0.00 177.57 177.07 2k3x h ASP 3 N 0.80 0.56 -0.01 0.57 3.58 -2.02 -0.26 116.42 119.64 2k3x h ASP 3 Ca 0.39 -0.08 -0.14 0.00 0.42 0.00 0.00 57.03 57.62 2k3x h ASP 3 Cb 0.33 -0.14 0.01 0.00 1.72 0.00 0.00 39.33 41.25 2k3x h ASP 3 CO -0.24 0.55 -0.55 0.25 -2.88 0.00 0.00 179.24 176.38 2k3x h LEU 4 N 0.60 0.50 -1.78 2.28 6.46 -1.70 -3.28 115.31 118.39 2k3x h LEU 4 Ca 0.14 -0.75 -0.03 0.00 -0.12 0.00 0.00 57.88 57.12 2k3x h LEU 4 Cb 0.21 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.98 2k3x h LEU 4 CO -0.01 1.19 -0.15 -0.33 -0.62 0.00 0.00 178.44 178.52 2k3x h GLU 5 N -0.13 0.00 0.00 1.25 5.08 -0.76 -1.58 114.58 118.44 2k3x h GLU 5 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2k3x h GLU 5 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2k3x h GLU 5 CO 0.11 0.15 0.00 0.94 -1.00 0.00 0.00 179.01 179.21 2k3x n GLN 6 N -4.14 0.11 -2.21 2.33 7.27 -0.15 -4.16 117.38 116.43 2k3x n GLN 6 Ca -0.02 0.30 -0.41 0.00 0.07 0.00 0.00 57.00 56.94 2k3x n GLN 6 Cb 0.22 -1.69 -0.03 0.00 2.41 0.00 0.00 30.24 31.16 2k3x n GLN 6 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2k3x s GLU 7 N -3.15 4.42 0.65 3.69 2.02 -0.60 -4.07 118.70 121.67 2k3x s GLU 7 Ca 0.07 2.10 -0.18 0.00 0.02 0.00 0.00 54.97 56.98 2k3x s GLU 7 Cb 0.10 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 2k3x s GLU 7 CO 0.37 -0.11 1.12 1.97 0.02 0.00 0.00 175.26 178.63 2k3x n PHE 8 N 1.20 1.33 -3.79 1.61 -1.74 -1.26 -4.68 117.46 110.13 2k3x n PHE 8 Ca 0.01 0.42 -0.14 0.00 -0.56 0.00 0.00 57.45 57.18 2k3x n PHE 8 Cb 0.43 -2.19 -0.15 0.00 1.52 0.00 0.00 39.48 39.09 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 -1.51 -0.06 -1.30 1.98 0.00 -1.26 -4.98 121.76 114.64 2k3x s ALA 9 Ca 0.79 0.34 -0.18 0.00 0.00 0.00 0.00 51.96 52.91 2k3x s ALA 9 Cb -0.39 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.53 2k3x s ALA 9 CO 0.44 -0.09 1.90 -0.11 0.00 0.00 0.00 175.76 177.90 2k3x n LEU 10 N 3.84 5.21 0.00 0.00 0.00 -1.26 -0.86 117.00 123.93 2k3x n LEU 10 Ca -0.23 -3.84 0.00 0.00 0.00 0.00 0.00 56.01 51.94 2k3x n LEU 10 Cb 0.53 -1.69 0.00 0.00 0.00 0.00 0.00 43.42 42.26 2k3x n LEU 10 CO 0.22 0.17 0.00 0.61 0.00 0.00 0.00 177.39 178.38 2k3x n GLY 11 N 5.05 0.49 1.02 -3.96 0.00 -1.26 -5.05 105.19 101.48 2k3x n GLY 11 Ca 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 2k3x n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3x n GLY 12 N 0.00 -2.07 3.57 -0.02 0.00 -0.04 -5.05 105.19 101.58 2k3x n GLY 12 Ca 0.00 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 2k3x n GLY 12 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k3x s ARG 13 N -3.74 1.87 0.30 1.61 3.52 -1.26 -4.18 118.95 117.06 2k3x s ARG 13 Ca 0.20 -1.93 0.01 0.00 -0.13 0.00 0.00 55.73 53.89 2k3x s ARG 13 Cb -0.01 -1.73 -0.02 0.00 -1.56 0.00 0.00 34.95 31.62 2k3x s ARG 13 CO 0.15 0.12 0.31 0.00 -0.81 0.00 0.00 175.30 175.07 2k3x s LEU 15 N -3.26 1.87 -0.02 0.00 2.01 -0.26 -0.40 118.68 118.62 2k3x s LEU 15 Ca 0.36 -0.01 0.02 0.00 0.01 0.00 0.00 54.13 54.51 2k3x s LEU 15 Cb 0.03 -0.05 0.01 0.00 0.01 0.00 0.00 46.19 46.18 2k3x s LEU 15 CO 0.20 -0.01 -0.07 0.00 1.01 0.00 0.00 176.35 177.49 2k3x s ALA 16 N 0.14 0.69 0.28 4.21 0.00 -0.36 -1.09 121.76 125.63 2k3x s ALA 16 Ca -0.01 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.60 2k3x s ALA 16 Cb -0.02 -0.27 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 2k3x s ALA 16 CO -0.00 0.10 0.64 -0.06 0.00 0.00 0.00 175.76 176.44 2k3x s PHE 17 N 0.24 3.41 0.00 0.00 0.08 -0.95 -1.39 117.98 119.37 2k3x s PHE 17 Ca -0.03 1.01 0.00 0.00 0.12 0.00 0.00 56.93 58.02 2k3x s PHE 17 Cb -0.08 -2.37 0.00 0.00 -0.57 0.00 0.00 43.02 40.00 2k3x s PHE 17 CO 0.00 0.17 0.00 0.72 -0.10 0.00 0.00 175.22 176.01 2k3x n HIS 18 N -0.36 0.00 0.00 0.36 8.25 -0.86 -4.96 115.22 117.65 2k3x n HIS 18 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2k3x n HIS 18 Cb 0.53 0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.71 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 2.36 -0.69 0.36 -1.41 0.00 -1.26 -4.93 105.19 99.62 2k3x n GLY 19 Ca 0.00 0.30 0.09 0.00 0.00 0.00 0.00 46.02 46.40 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 0.89 0.00 1.61 0.11 -2.01 -3.45 132.00 129.15 2k3x h PRO 20 Ca 0.00 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.93 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 0.59 -0.06 -0.11 -0.21 0.00 0.00 178.00 178.21 2k3x n LEU 21 N -4.62 0.00 -4.41 2.35 7.94 -1.26 -4.88 117.00 112.11 2k3x n LEU 21 Ca 0.19 -1.26 -0.21 0.00 -1.11 0.00 0.00 56.01 53.63 2k3x n LEU 21 Cb 0.40 1.13 -0.10 0.00 0.53 0.00 0.00 43.42 45.37 2k3x n LEU 21 CO 0.27 -0.29 -0.39 0.00 -1.11 0.00 0.00 177.39 175.87 2k3x s MET 22 N -2.35 1.51 0.07 1.96 0.23 -1.26 -2.02 119.30 117.44 2k3x s MET 22 Ca 0.13 -1.74 0.01 0.00 -1.03 0.00 0.00 55.69 53.06 2k3x s MET 22 Cb -0.00 -1.18 -0.04 0.00 -1.53 0.00 0.00 34.83 32.07 2k3x s MET 22 CO 0.09 0.09 -0.05 0.71 -2.03 0.00 0.00 175.02 173.82 2k3x s TYR 23 N -2.97 0.72 0.45 3.16 2.02 -0.49 -4.94 117.35 115.31 2k3x s TYR 23 Ca 0.28 -0.90 -0.24 0.00 -0.37 0.00 0.00 57.07 55.85 2k3x s TYR 23 Cb 0.02 -0.45 -0.07 0.00 -0.40 0.00 0.00 41.96 41.06 2k3x s TYR 23 CO 0.11 -0.21 1.20 -1.21 -1.57 0.00 0.00 175.55 173.87 2k3x s GLU 24 N -3.49 3.78 0.03 -0.62 8.01 -1.26 -1.22 118.70 123.92 2k3x s GLU 24 Ca 0.07 1.89 0.04 0.00 0.01 0.00 0.00 54.97 56.97 2k3x s GLU 24 Cb 0.04 -2.49 -0.02 0.00 -4.31 0.00 0.00 34.13 27.35 2k3x s GLU 24 CO -0.06 -0.57 -0.12 0.00 0.01 0.00 0.00 175.26 174.53 2k3x s ALA 25 N -1.45 0.95 -0.30 5.21 0.00 0.47 -1.14 121.76 125.49 2k3x s ALA 25 Ca 0.62 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.90 2k3x s ALA 25 Cb -0.31 -0.15 0.09 0.00 0.00 0.00 0.00 23.12 22.75 2k3x s ALA 25 CO 0.39 0.17 0.06 0.21 0.00 0.00 0.00 175.76 176.58 2k3x s LYS 26 N -0.95 1.04 0.32 0.00 2.36 0.00 -0.06 119.74 122.45 2k3x s LYS 26 Ca 0.00 -1.23 -0.29 0.00 -2.55 0.00 0.00 55.97 51.91 2k3x s LYS 26 Cb -0.07 -2.40 -0.11 0.00 -1.05 0.00 0.00 37.83 34.21 2k3x s LYS 26 CO 0.01 -0.89 1.42 0.42 1.55 0.00 0.00 175.35 177.85 2k3x s ILE 27 N 1.42 2.46 0.00 5.43 1.01 -1.26 -1.52 121.20 128.74 2k3x s ILE 27 Ca 0.07 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.15 2k3x s ILE 27 Cb -0.18 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.01 2k3x s ILE 27 CO -0.17 0.09 0.00 -0.11 0.00 0.00 0.00 174.94 174.75 2k3x n LEU 28 N 1.24 0.00 -4.72 2.97 0.00 -0.53 -4.38 117.00 111.58 2k3x n LEU 28 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.64 2k3x n LEU 28 Cb 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.78 2k3x n LEU 28 CO 0.61 -0.44 0.47 -0.75 0.00 0.00 0.00 177.39 177.29 2k3x s LYS 29 N -0.88 4.48 0.17 1.96 2.20 -1.15 -4.26 119.74 122.26 2k3x s LYS 29 Ca 0.00 1.04 0.10 0.00 -0.36 0.00 0.00 55.97 56.75 2k3x s LYS 29 Cb 0.00 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 2k3x s LYS 29 CO 0.00 0.11 -0.21 0.96 -0.36 0.00 0.00 175.35 175.86 2k3x s ILE 30 N 0.57 2.03 0.05 5.43 -0.00 0.54 -0.23 121.20 129.58 2k3x s ILE 30 Ca 0.41 -1.95 0.04 0.00 -0.00 0.00 0.00 60.65 59.14 2k3x s ILE 30 Cb -0.19 -1.94 -0.03 0.00 -0.00 0.00 0.00 42.46 40.30 2k3x s ILE 30 CO 0.22 -0.23 -0.11 0.86 -0.00 0.00 0.00 174.94 175.68 2k3x s TRP 31 N -1.86 0.92 -0.19 1.37 -0.11 0.33 -0.76 118.94 118.63 2k3x s TRP 31 Ca 0.17 -0.46 -0.04 0.00 1.22 0.00 0.00 56.10 56.99 2k3x s TRP 31 Cb -0.07 -0.53 0.09 0.00 -1.50 0.00 0.00 33.47 31.45 2k3x s TRP 31 CO 0.08 -0.02 0.20 0.34 -4.62 0.00 0.00 176.95 172.93 2k3x s ASP 32 N -1.56 1.46 0.00 5.86 2.15 -1.16 -1.61 116.67 121.81 2k3x s ASP 32 Ca -0.06 -0.24 0.03 0.00 0.43 0.00 0.00 52.55 52.72 2k3x s ASP 32 Cb -0.10 0.29 0.13 0.00 -0.30 0.00 0.00 42.92 42.95 2k3x s ASP 32 CO 0.01 -0.32 1.04 -0.81 -0.17 0.00 0.00 175.17 174.92 2k3x n PRO 33 N 5.31 0.01 0.30 4.34 -0.04 -1.26 -1.93 135.00 141.74 2k3x n PRO 33 Ca -0.06 0.40 0.18 0.00 -0.04 0.00 0.00 63.50 63.98 2k3x n PRO 33 Cb 0.49 -1.50 0.94 0.00 -0.04 0.00 0.00 33.50 33.40 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 -3.10 113.55 112.08 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 0.04 0.00 -1.20 -1.14 0.00 0.00 176.83 174.53 2k3x n SER 35 N -3.40 0.14 -4.20 3.07 7.64 -0.96 -5.03 113.62 110.88 2k3x n SER 35 Ca -0.02 -0.46 -0.29 0.00 1.01 0.00 0.00 58.87 59.10 2k3x n SER 35 Cb 0.15 0.37 -0.07 0.00 -1.01 0.00 0.00 64.21 63.65 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 -1.74 -4.16 1.43 5.02 -0.81 -4.98 118.16 112.55 2k3x n LYS 36 Ca 0.00 0.20 -0.15 0.00 -2.02 0.00 0.00 58.31 56.34 2k3x n LYS 36 Cb 0.03 -3.93 -0.07 0.00 -0.02 0.00 0.00 35.03 31.04 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 -7.10 1.66 0.00 1.97 -1.94 -1.25 -4.92 119.30 107.71 2k3x s MET 37 Ca 0.03 -1.74 0.00 0.00 -1.71 0.00 0.00 55.69 52.27 2k3x s MET 37 Cb -0.01 0.37 0.00 0.00 2.01 0.00 0.00 34.83 37.20 2k3x s MET 37 CO 0.96 -0.64 0.00 2.48 -0.01 0.00 0.00 175.02 177.81 2k3x n TYR 38 N -0.49 -0.22 -3.62 -0.03 0.18 -1.26 -2.97 117.16 108.75 2k3x n TYR 38 Ca 0.03 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.74 2k3x n TYR 38 Cb 0.63 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.53 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 1.07 0.00 0.32 -3.48 -4.23 0.06 -3.32 115.64 106.07 2k3x s THR 39 Ca 0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 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 0.70 -0.55 -0.54 0.00 0.00 174.62 174.23 2k3x s SER 40 N -0.63 -0.03 0.14 3.99 0.15 -1.21 -0.34 113.70 115.77 2k3x s SER 40 Ca 0.04 -0.94 -0.15 0.00 0.70 0.00 0.00 55.95 55.60 2k3x s SER 40 Cb -0.02 0.76 0.03 0.00 -1.71 0.00 0.00 66.02 65.07 2k3x s SER 40 CO -0.05 -1.46 0.40 0.27 1.20 0.00 0.00 173.24 173.60 2k3x s ILE 41 N -3.22 0.07 0.00 6.45 -4.36 -1.26 -1.14 121.20 117.74 2k3x s ILE 41 Ca 0.16 -0.76 0.00 0.00 -0.26 0.00 0.00 60.65 59.79 2k3x s ILE 41 Cb -0.04 -1.35 0.00 0.00 1.25 0.00 0.00 42.46 42.32 2k3x s ILE 41 CO 0.10 -0.30 1.34 -0.81 0.24 0.00 0.00 174.94 175.51 2k3x n PRO 42 N -0.24 0.96 -1.92 0.37 -0.04 -1.01 -4.77 135.00 128.36 2k3x n PRO 42 Ca -0.14 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.94 2k3x n PRO 42 Cb 0.63 -1.02 -0.03 0.00 -0.04 0.00 0.00 33.50 33.04 2k3x n PRO 42 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2k3x s ASN 43 N 1.39 5.20 0.00 3.54 3.84 -1.26 -3.41 114.94 124.25 2k3x s ASN 43 Ca 0.00 0.71 0.00 0.00 0.21 0.00 0.00 52.86 53.78 2k3x s ASN 43 Cb 0.00 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.18 2k3x s ASN 43 CO 0.00 -2.36 0.00 -0.67 -2.79 0.00 0.00 177.10 171.28 2k3x n ASP 44 N 12.97 0.00 -0.76 -4.21 2.03 -1.26 -4.83 116.55 120.49 2k3x n ASP 44 Ca 0.25 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.58 2k3x n ASP 44 Cb 0.52 -0.19 -0.01 0.00 -0.72 0.00 0.00 41.12 40.71 2k3x n ASP 44 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2k3x n LYS 45 N -0.80 -1.92 -1.28 -0.67 0.00 -1.22 -5.00 118.16 107.28 2k3x n LYS 45 Ca 0.00 1.51 -0.29 0.00 0.00 0.00 0.00 58.31 59.53 2k3x n LYS 45 Cb 0.00 -1.96 0.20 0.00 0.00 0.00 0.00 35.03 33.27 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 -4.39 -0.14 -0.04 1.64 0.04 -1.26 -5.00 135.00 125.84 2k3x s PRO 46 Ca 0.00 0.13 0.18 0.00 0.04 0.00 0.00 61.00 61.35 2k3x s PRO 46 Cb 0.00 -1.71 -0.28 0.00 0.04 0.00 0.00 34.50 32.56 2k3x s PRO 46 CO 0.00 -3.03 0.37 0.41 0.04 0.00 0.00 177.00 174.79 2k3x n GLY 47 N -1.51 -0.83 0.27 0.56 0.00 -1.26 -4.44 105.19 97.98 2k3x n GLY 47 Ca 0.10 -0.42 0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 3.34 0.00 -3.19 -0.02 0.00 -1.95 -3.46 103.07 97.79 2k3x h GLY 48 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 2k3x h GLY 48 CO 0.00 0.00 -0.61 -0.56 0.00 0.00 0.00 176.54 175.37 2k3x s SER 49 N -5.65 0.40 0.19 0.19 0.01 -1.26 -5.07 113.70 102.51 2k3x s SER 49 Ca 0.01 -0.94 -0.12 0.00 1.31 0.00 0.00 55.95 56.21 2k3x s SER 49 Cb 0.09 0.24 0.16 0.00 0.21 0.00 0.00 66.02 66.72 2k3x s SER 49 CO 0.54 -0.64 1.81 0.28 0.41 0.00 0.00 173.24 175.64 2k3x h SER 50 N 3.04 0.51 -5.10 2.44 0.02 -1.88 -3.41 113.55 109.16 2k3x h SER 50 Ca -0.34 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.58 2k3x h SER 50 Cb 1.16 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 2k3x h SER 50 CO 0.63 0.35 0.16 -1.58 -1.14 0.00 0.00 176.83 175.25 2k3x s GLN 51 N -6.12 2.03 -0.67 3.45 0.74 -1.26 -4.87 119.66 112.95 2k3x s GLN 51 Ca -0.13 -1.37 0.05 0.00 0.05 0.00 0.00 55.36 53.95 2k3x s GLN 51 Cb 0.14 0.58 0.29 0.00 1.10 0.00 0.00 33.01 35.12 2k3x s GLN 51 CO 0.75 -0.92 0.93 0.00 -0.55 0.00 0.00 175.29 175.50 2k3x n ALA 52 N -0.51 4.48 -1.24 1.58 0.00 -1.26 -4.87 120.51 118.70 2k3x n ALA 52 Ca -0.05 -4.75 -0.50 0.00 0.00 0.00 0.00 53.44 48.14 2k3x n ALA 52 Cb 0.60 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 18.91 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 0.45 0.00 -1.66 0.00 -1.04 -1.26 -2.40 114.28 108.37 2k3x n THR 53 Ca 0.31 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.36 2k3x n THR 53 Cb 0.39 -0.47 -0.01 0.00 -1.82 0.00 0.00 70.33 68.42 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 7.28 -0.67 -1.70 -2.82 5.02 -1.26 -4.57 118.16 119.44 2k3x n LYS 54 Ca 0.55 0.44 -0.44 0.00 -2.02 0.00 0.00 58.31 56.84 2k3x n LYS 54 Cb -0.02 -0.82 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 2k3x n LYS 54 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2k3x n GLU 55 N -1.62 2.43 -4.38 1.97 0.28 -1.26 -4.04 120.64 114.02 2k3x n GLU 55 Ca 0.00 0.87 -0.34 0.00 -0.16 0.00 0.00 57.16 57.54 2k3x n GLU 55 Cb 0.15 -2.65 -0.13 0.00 1.43 0.00 0.00 31.44 30.24 2k3x n GLU 55 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 2k3x s ILE 56 N 0.61 3.48 0.68 3.84 1.01 -0.29 -4.98 121.20 125.55 2k3x s ILE 56 Ca 0.73 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 2k3x s ILE 56 Cb -0.58 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.36 2k3x s ILE 56 CO 0.41 0.48 1.06 -0.54 0.00 0.00 0.00 174.94 176.35 2k3x s LYS 57 N 0.68 3.01 0.11 2.79 -0.14 -1.26 -3.32 119.74 121.61 2k3x s LYS 57 Ca -0.04 0.96 -0.32 0.00 -1.36 0.00 0.00 55.97 55.21 2k3x s LYS 57 Cb -0.15 -2.00 -0.12 0.00 -1.68 0.00 0.00 37.83 33.88 2k3x s LYS 57 CO 0.02 -1.04 1.77 -2.30 -0.76 0.00 0.00 175.35 173.04 2k3x n PRO 58 N -3.03 2.54 -3.94 -1.68 -0.02 -1.21 -4.65 135.00 123.01 2k3x n PRO 58 Ca 0.07 0.92 -0.09 0.00 -2.02 0.00 0.00 63.50 62.39 2k3x n PRO 58 Cb 0.53 -2.77 -0.09 0.00 -0.02 0.00 0.00 33.50 31.15 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 2.34 0.66 0.49 -0.52 -0.21 -1.26 -4.96 119.66 116.21 2k3x s GLN 59 Ca 0.82 -0.90 -0.21 0.00 0.02 0.00 0.00 55.36 55.10 2k3x s GLN 59 Cb -0.57 0.26 -0.10 0.00 1.00 0.00 0.00 33.01 33.60 2k3x s GLN 59 CO 0.39 -0.17 0.62 1.63 -2.12 0.00 0.00 175.29 175.64 2k3x n LYS 60 N 0.41 0.67 -4.74 2.91 5.02 -1.26 -4.19 118.16 116.98 2k3x n LYS 60 Ca -0.17 0.25 -0.33 0.00 -2.02 0.00 0.00 58.31 56.05 2k3x n LYS 60 Cb 0.60 -1.70 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 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 0.82 2.19 0.00 -0.35 2.34 -1.26 -4.96 118.68 117.47 2k3x s LEU 61 Ca 0.66 -1.69 0.00 0.00 0.06 0.00 0.00 54.13 53.16 2k3x s LEU 61 Cb -0.52 -0.62 0.00 0.00 -0.56 0.00 0.00 46.19 44.49 2k3x s LEU 61 CO 0.56 -0.91 0.00 0.61 -1.06 0.00 0.00 176.35 175.55 2k3x n GLY 62 N -1.25 1.88 0.16 -3.48 0.00 -1.26 -5.05 105.19 96.19 2k3x n GLY 62 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 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 0.46 0.00 1.61 5.08 -2.03 -3.42 114.58 116.28 2k3x h GLU 63 Ca 0.00 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 2k3x h GLU 63 Cb 0.00 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2k3x h GLU 63 CO 0.00 1.19 0.00 -3.47 -1.00 0.00 0.00 179.01 175.73 2k3x n ASP 64 N -3.74 0.00 -3.96 1.42 2.03 -1.26 -5.14 116.55 105.90 2k3x n ASP 64 Ca -0.08 -1.00 -0.10 0.00 0.52 0.00 0.00 54.79 54.13 2k3x n ASP 64 Cb 0.89 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.22 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 1.22 -0.19 -0.67 1.03 -1.26 -5.09 118.70 113.75 2k3x s GLU 65 Ca 0.00 -1.18 -0.25 0.00 0.03 0.00 0.00 54.97 53.57 2k3x s GLU 65 Cb 0.00 0.39 0.07 0.00 -0.80 0.00 0.00 34.13 33.79 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 -2.97 -0.67 -0.30 0.83 0.01 -1.26 -4.09 113.70 105.25 2k3x s SER 66 Ca 0.18 1.12 -0.11 0.00 1.31 0.00 0.00 55.95 58.46 2k3x s SER 66 Cb 0.03 1.09 -0.03 0.00 0.21 0.00 0.00 66.02 67.32 2k3x s SER 66 CO 0.01 -0.35 0.18 0.27 0.41 0.00 0.00 173.24 173.77 2k3x s ILE 67 N -0.15 5.09 0.62 1.44 -0.00 -1.26 -4.81 121.20 122.12 2k3x s ILE 67 Ca -0.04 -0.06 -0.19 0.00 -0.00 0.00 0.00 60.65 60.36 2k3x s ILE 67 Cb -0.03 -3.50 -0.02 0.00 -0.00 0.00 0.00 42.46 38.91 2k3x s ILE 67 CO 0.04 0.16 1.32 -2.84 -0.00 0.00 0.00 174.94 173.62 2k3x s PRO 68 N 1.71 2.71 0.58 0.37 0.02 -1.26 -4.85 135.00 134.29 2k3x s PRO 68 Ca 0.06 2.13 0.28 0.00 0.02 0.00 0.00 61.00 63.49 2k3x s PRO 68 Cb -0.16 -1.97 1.56 0.00 0.02 0.00 0.00 34.50 33.95 2k3x s PRO 68 CO 0.09 -1.49 2.04 0.93 -0.33 0.00 0.00 177.00 178.24 2k3x h GLU 69 N 0.81 0.00 -0.81 5.54 5.08 -1.99 -1.75 114.58 121.47 2k3x h GLU 69 Ca -0.51 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 57.96 2k3x h GLU 69 Cb 1.33 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.50 2k3x h GLU 69 CO 0.54 0.00 0.44 1.49 -1.00 0.00 0.00 179.01 180.48 2k3x h GLU 70 N 0.00 0.70 0.00 2.33 4.57 -2.04 -3.05 114.58 117.08 2k3x h GLU 70 Ca 0.14 -0.04 -0.25 0.00 -1.18 0.00 0.00 59.36 58.02 2k3x h GLU 70 Cb 0.71 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.09 2k3x h GLU 70 CO -0.00 0.46 -2.03 0.44 -1.18 0.00 0.00 179.01 176.69 2k3x n ILE 71 N -4.79 1.13 -0.30 2.32 -5.35 -0.69 -4.60 119.36 107.07 2k3x n ILE 71 Ca 0.14 -0.75 0.19 0.00 -0.27 0.00 0.00 62.75 62.05 2k3x n ILE 71 Cb 0.31 -0.51 0.46 0.00 -1.74 0.00 0.00 39.64 38.16 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 -2.05 117.51 124.06 2k3x h ILE 72 Ca -0.34 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2k3x h ILE 72 Cb 1.86 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2k3x h ILE 72 CO 0.03 0.09 0.00 0.59 0.00 0.00 0.00 178.15 178.87 2k3x n ASN 73 N -4.62 0.00 -4.02 1.72 3.02 -1.26 -4.15 115.26 105.95 2k3x n ASN 73 Ca 0.23 -1.49 -0.15 0.00 -0.03 0.00 0.00 54.58 53.14 2k3x n ASN 73 Cb 0.73 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.80 2k3x n ASN 73 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2k3x s GLY 74 N -1.30 1.74 0.28 7.41 0.00 -0.77 -4.98 107.32 109.69 2k3x s GLY 74 Ca 0.04 -1.80 -0.29 0.00 0.00 0.00 0.00 44.72 42.68 2k3x s GLY 74 CO 0.03 -1.47 1.18 0.28 0.00 0.00 0.00 173.10 173.13 2k3x n LYS 75 N -0.41 1.67 -4.39 2.90 4.76 -1.26 -4.49 118.16 116.94 2k3x n LYS 75 Ca 0.03 0.59 -0.23 0.00 -2.87 0.00 0.00 58.31 55.83 2k3x n LYS 75 Cb 0.65 -2.09 -0.11 0.00 -1.84 0.00 0.00 35.03 31.65 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 -2.28 0.25 -0.24 0.00 0.08 0.03 -0.52 117.98 115.30 2k3x s PHE 77 Ca 0.22 -0.56 -0.29 0.00 0.12 0.00 0.00 56.93 56.42 2k3x s PHE 77 Cb -0.05 -0.78 -0.02 0.00 -0.57 0.00 0.00 43.02 41.59 2k3x s PHE 77 CO 0.10 -0.65 1.62 0.12 -0.10 0.00 0.00 175.22 176.30 2k3x s PHE 78 N 2.12 2.10 0.05 0.36 5.36 0.67 -1.59 117.98 127.05 2k3x s PHE 78 Ca 0.05 0.56 0.06 0.00 -0.96 0.00 0.00 56.93 56.64 2k3x s PHE 78 Cb -0.16 -4.00 -0.02 0.00 -0.34 0.00 0.00 43.02 38.49 2k3x s PHE 78 CO -0.22 -2.89 -0.17 0.96 -1.46 0.00 0.00 175.22 171.45 2k3x s ILE 79 N 5.34 1.33 -0.19 3.12 -4.36 -0.28 -1.45 121.20 124.71 2k3x s ILE 79 Ca 0.72 -1.12 -0.24 0.00 -0.26 0.00 0.00 60.65 59.75 2k3x s ILE 79 Cb -0.24 -1.19 -0.02 0.00 1.25 0.00 0.00 42.46 42.26 2k3x s ILE 79 CO 0.30 0.05 0.77 -2.28 0.24 0.00 0.00 174.94 174.02 2k3x s HIS 80 N -0.88 3.39 -0.43 1.37 5.65 -0.57 -2.26 115.29 121.57 2k3x s HIS 80 Ca 0.04 1.15 -0.26 0.00 0.25 0.00 0.00 55.06 56.23 2k3x s HIS 80 Cb -0.08 -2.96 0.02 0.00 -1.18 0.00 0.00 32.58 28.38 2k3x s HIS 80 CO 0.02 -0.24 0.95 0.71 -0.65 0.00 0.00 174.74 175.53 2k3x s TYR 81 N 2.17 2.97 0.44 3.88 2.02 -1.26 -0.82 117.35 126.75 2k3x s TYR 81 Ca 0.35 0.58 -0.15 0.00 -0.37 0.00 0.00 57.07 57.48 2k3x s TYR 81 Cb -0.16 -3.91 -0.08 0.00 -0.40 0.00 0.00 41.96 37.41 2k3x s TYR 81 CO 0.11 -1.02 0.88 -0.65 -1.57 0.00 0.00 175.55 173.31 2k3x s GLN 82 N 3.74 3.94 0.00 -0.62 -0.21 -0.30 -3.02 119.66 123.19 2k3x s GLN 82 Ca 0.39 0.79 0.00 0.00 0.02 0.00 0.00 55.36 56.56 2k3x s GLN 82 Cb -0.10 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.65 2k3x s GLN 82 CO 0.24 -0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.71 2k3x n GLY 83 N -1.19 0.48 3.33 3.09 0.00 -1.26 -4.40 105.19 105.24 2k3x n GLY 83 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.39 1.56 0.34 1.61 0.52 -1.17 -5.12 118.94 114.30 2k3x s TRP 84 Ca 0.00 -1.14 -0.29 0.00 0.02 0.00 0.00 56.10 54.69 2k3x s TRP 84 Cb 0.00 -0.93 -0.11 0.00 -1.15 0.00 0.00 33.47 31.29 2k3x s TRP 84 CO 0.00 -0.28 1.47 0.15 0.02 0.00 0.00 176.95 178.31 2k3x s LYS 85 N -4.01 4.16 0.24 4.98 -0.14 -1.26 -4.87 119.74 118.85 2k3x s LYS 85 Ca 0.36 2.50 0.16 0.00 -1.36 0.00 0.00 55.97 57.63 2k3x s LYS 85 Cb 0.08 -3.01 0.89 0.00 -1.68 0.00 0.00 37.83 34.11 2k3x s LYS 85 CO 0.13 -0.49 1.50 0.43 -0.76 0.00 0.00 175.35 176.16 2k3x n SER 86 N 0.99 0.43 0.26 2.83 7.64 -1.26 -1.07 113.62 123.43 2k3x n SER 86 Ca 0.03 0.70 0.17 0.00 1.01 0.00 0.00 58.87 60.78 2k3x n SER 86 Cb 0.39 -0.75 0.91 0.00 -1.01 0.00 0.00 64.21 63.75 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 -1.94 -1.73 113.55 116.33 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 -3.63 0.00 -1.78 3.45 7.02 -0.23 -4.74 117.44 117.52 2k3x n TRP 88 Ca -0.01 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.16 2k3x n TRP 88 Cb 0.23 -0.06 -0.04 0.00 -2.42 0.00 0.00 31.31 29.02 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 -0.43 4.69 -0.02 -0.99 1.01 -0.65 -4.00 116.67 116.28 2k3x s ASP 89 Ca 0.00 0.38 -0.10 0.00 0.71 0.00 0.00 52.55 53.54 2k3x s ASP 89 Cb 0.00 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.41 2k3x s ASP 89 CO 0.00 -2.90 0.21 -0.70 0.21 0.00 0.00 175.17 171.99 2k3x s GLU 90 N 7.82 0.51 0.44 8.23 2.56 -0.96 -4.91 118.70 132.40 2k3x s GLU 90 Ca 0.83 -0.23 -0.18 0.00 0.00 0.00 0.00 54.97 55.39 2k3x s GLU 90 Cb -0.13 0.22 -0.10 0.00 2.00 0.00 0.00 34.13 36.12 2k3x s GLU 90 CO 0.17 -0.13 0.93 -1.58 -0.56 0.00 0.00 175.26 174.09 2k3x s TRP 91 N -1.15 3.37 0.08 5.30 0.52 -1.26 -1.13 118.94 124.66 2k3x s TRP 91 Ca -0.12 1.49 0.03 0.00 0.02 0.00 0.00 56.10 57.52 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 0.02 -0.17 -0.09 0.14 0.02 0.00 0.00 176.95 176.87 2k3x s VAL 92 N -2.30 0.82 0.67 4.03 -7.23 -0.62 -4.91 120.40 110.85 2k3x s VAL 92 Ca 0.60 -1.48 -0.04 0.00 -1.81 0.00 0.00 61.98 59.25 2k3x s VAL 92 Cb -0.09 -1.15 0.07 0.00 0.56 0.00 0.00 36.38 35.76 2k3x s VAL 92 CO 0.20 -0.51 0.95 -0.83 -0.31 0.00 0.00 175.10 174.60 2k3x s GLY 93 N -2.19 1.74 0.64 2.32 0.00 -1.26 -0.79 107.32 107.77 2k3x s GLY 93 Ca 0.01 -1.15 0.40 0.00 0.00 0.00 0.00 44.72 43.98 2k3x s GLY 93 CO -0.00 -0.74 2.31 -1.82 0.00 0.00 0.00 173.10 172.85 2k3x h TYR 94 N -0.44 0.00 -0.52 1.90 5.03 -1.76 -0.09 116.97 121.10 2k3x h TYR 94 Ca -0.43 0.00 0.15 0.00 2.58 0.00 0.00 58.73 61.03 2k3x h TYR 94 Cb 1.30 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.56 2k3x h TYR 94 CO 0.22 0.01 0.39 0.22 -1.32 0.00 0.00 178.16 177.68 2k3x h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.93 -3.22 116.42 112.73 2k3x h ASP 95 Ca -0.00 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 2k3x h ASP 95 Cb 0.04 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 2k3x h ASP 95 CO 0.00 0.00 -1.77 0.54 -2.88 0.00 0.00 179.24 175.13 2k3x n ARG 96 N -4.26 0.34 -4.10 0.28 3.00 -0.15 -4.98 116.66 106.79 2k3x n ARG 96 Ca 0.10 0.08 -0.27 0.00 -0.01 0.00 0.00 57.85 57.74 2k3x n ARG 96 Cb 0.61 -1.26 -0.06 0.00 0.00 0.00 0.00 32.46 31.75 2k3x n ARG 96 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 2k3x s ILE 97 N -2.27 4.34 -0.00 0.55 2.07 -0.58 -2.24 121.20 123.07 2k3x s ILE 97 Ca -0.18 -1.09 -0.10 0.00 -1.41 0.00 0.00 60.65 57.87 2k3x s ILE 97 Cb 0.05 -3.18 0.01 0.00 0.13 0.00 0.00 42.46 39.46 2k3x s ILE 97 CO 0.31 -0.06 0.19 -0.13 -1.91 0.00 0.00 174.94 173.34 2k3x s ARG 98 N -2.93 0.55 0.67 3.50 3.00 -0.25 -4.49 118.95 119.00 2k3x s ARG 98 Ca 0.30 -0.35 -0.15 0.00 0.00 0.00 0.00 55.73 55.53 2k3x s ARG 98 Cb -0.10 0.24 0.01 0.00 0.00 0.00 0.00 34.95 35.09 2k3x s ARG 98 CO 0.22 -0.14 1.13 0.00 0.00 0.00 0.00 175.30 176.51 2k3x s ALA 99 N -1.43 2.40 -0.09 2.13 0.00 -1.26 -1.10 121.76 122.42 2k3x s ALA 99 Ca -0.14 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 2k3x s ALA 99 Cb -0.07 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 2k3x s ALA 99 CO 0.02 -1.39 1.83 -0.47 0.00 0.00 0.00 175.76 175.75 2k3x s TYR 100 N -2.29 1.66 0.25 0.00 5.04 0.82 -4.62 117.35 118.20 2k3x s TYR 100 Ca 0.68 0.11 -0.21 0.00 -2.44 0.00 0.00 57.07 55.21 2k3x s TYR 100 Cb -0.22 -4.04 0.06 0.00 0.35 0.00 0.00 41.96 38.11 2k3x s TYR 100 CO 0.42 -4.24 0.89 0.54 -1.34 0.00 0.00 175.55 171.83 2k3x s ASN 101 N 4.65 -0.09 0.52 4.32 2.20 -1.26 -4.49 114.94 120.78 2k3x s ASN 101 Ca 0.82 -0.72 0.20 0.00 -0.94 0.00 0.00 52.86 52.22 2k3x s ASN 101 Cb -0.34 0.64 1.31 0.00 -2.00 0.00 0.00 41.25 40.86 2k3x s ASN 101 CO 0.34 -1.23 2.07 -0.33 -2.94 0.00 0.00 177.10 175.01 2k3x h GLU 102 N 2.00 0.02 -0.47 3.55 5.08 -1.91 0.49 114.58 123.35 2k3x h GLU 102 Ca -0.26 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 2k3x h GLU 102 Cb 1.24 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2k3x h GLU 102 CO 0.32 0.02 -0.12 1.49 -1.00 0.00 0.00 179.01 179.71 2k3x h GLU 103 N 0.03 0.86 0.00 2.33 4.57 -1.95 0.19 114.58 120.60 2k3x h GLU 103 Ca 0.13 -0.30 -0.10 0.00 -1.18 0.00 0.00 59.36 57.91 2k3x h GLU 103 Cb 0.50 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2k3x h GLU 103 CO -0.00 0.94 -0.48 -0.91 -1.18 0.00 0.00 179.01 177.38 2k3x h ASN 104 N 0.77 0.00 1.07 1.04 2.35 -1.25 -1.48 115.58 118.09 2k3x h ASN 104 Ca 0.12 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.70 2k3x h ASN 104 Cb 0.64 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.98 2k3x h ASN 104 CO 0.04 0.48 -0.98 0.40 -1.65 0.00 0.00 177.43 175.72 2k3x h ILE 105 N 0.00 1.05 -0.17 2.81 5.03 -0.90 0.21 117.51 125.54 2k3x h ILE 105 Ca -0.00 -2.60 -0.04 0.00 -0.12 0.00 0.00 64.86 62.10 2k3x h ILE 105 Cb 1.01 2.47 -0.01 0.00 -3.03 0.00 0.00 36.82 37.27 2k3x h ILE 105 CO 0.06 0.60 -0.04 0.00 -0.68 0.00 0.00 178.15 178.09 2k3x h ALA 106 N 1.27 0.23 -0.74 1.87 0.00 -0.48 0.36 119.26 121.77 2k3x h ALA 106 Ca -0.07 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2k3x h ALA 106 Cb 1.62 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 2k3x h ALA 106 CO 0.08 -0.01 0.23 0.00 0.00 0.00 0.00 179.25 179.56 2k3x h MET 107 N 0.03 1.15 0.63 0.00 -0.00 -1.28 -1.64 114.93 113.82 2k3x h MET 107 Ca 0.04 -0.25 -0.02 0.00 -0.00 0.00 0.00 59.70 59.47 2k3x h MET 107 Cb 0.48 -0.17 -0.01 0.00 -0.00 0.00 0.00 31.60 31.90 2k3x h MET 107 CO 0.02 0.98 -0.49 -0.22 -0.00 0.00 0.00 176.91 177.20 2k3x h LYS 108 N 1.10 -1.04 -0.47 -0.10 1.63 -0.37 -1.02 116.57 116.30 2k3x h LYS 108 Ca 0.24 0.07 -0.07 0.00 -0.85 0.00 0.00 60.65 60.04 2k3x h LYS 108 Cb 0.31 0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 2k3x h LYS 108 CO -0.01 -0.70 0.02 1.57 -3.45 0.00 0.00 179.45 176.88 2k3x h LYS 109 N -1.08 0.77 -0.70 1.90 2.10 -0.83 0.23 116.57 118.95 2k3x h LYS 109 Ca -0.08 -0.20 -0.03 0.00 -2.00 0.00 0.00 60.65 58.35 2k3x h LYS 109 Cb 0.91 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 32.11 2k3x h LYS 109 CO 0.01 0.77 0.34 -0.09 -2.00 0.00 0.00 179.45 178.48 2k3x h ARG 110 N 0.72 1.01 -0.18 0.07 1.12 -1.19 -2.64 114.38 113.29 2k3x h ARG 110 Ca 0.14 -0.15 -0.19 0.00 -1.11 0.00 0.00 59.98 58.67 2k3x h ARG 110 Cb 0.42 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.20 2k3x h ARG 110 CO 0.02 0.80 -0.66 -0.07 -3.11 0.00 0.00 179.97 176.94 2k3x h LEU 111 N 0.98 0.79 -0.69 3.80 3.38 -0.44 -3.10 115.31 120.03 2k3x h LEU 111 Ca 0.24 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2k3x h LEU 111 Cb 0.12 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2k3x h LEU 111 CO -0.03 1.25 0.00 0.00 0.09 0.00 0.00 178.44 179.75 2k3x n ALA 112 N -2.56 1.22 0.18 1.53 0.00 0.74 -0.11 120.51 121.51 2k3x n ALA 112 Ca -0.05 0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.52 2k3x n ALA 112 Cb 0.68 -1.22 0.28 0.00 0.00 0.00 0.00 19.45 19.19 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 0.23 0.00 2.35 -1.39 -3.19 115.58 113.58 2k3x h ASN 113 Ca 0.00 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.45 2k3x h ASN 113 Cb 0.10 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.49 2k3x h ASN 113 CO 0.00 0.42 -1.25 0.25 -1.65 0.00 0.00 177.43 175.20 2k3x h LEU 114 N 0.00 0.79 0.00 1.61 7.12 -0.67 -3.53 115.31 120.63 2k3x h LEU 114 Ca -0.00 -0.75 0.00 0.00 0.13 0.00 0.00 57.88 57.26 2k3x h LEU 114 Cb 0.98 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.86 2k3x h LEU 114 CO 0.05 1.56 0.00 1.21 -0.13 0.00 0.00 178.44 181.14