#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 0.52 0.02 1.12 -7.23 -1.26 -5.16 120.40 108.42 2k3x s VAL 2 Ca 0.00 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2k3x s VAL 2 Cb 0.00 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 2k3x s VAL 2 CO 0.00 0.00 -0.01 -0.62 -0.31 0.00 0.00 175.10 174.16 2k3x s ASP 3 N -3.41 0.26 0.00 4.85 2.15 -1.26 -4.82 116.67 114.44 2k3x s ASP 3 Ca 0.34 -0.55 0.00 0.00 0.43 0.00 0.00 52.55 52.77 2k3x s ASP 3 Cb 0.06 0.13 0.00 0.00 -0.30 0.00 0.00 42.92 42.81 2k3x s ASP 3 CO 0.16 -0.36 0.00 -0.11 -0.17 0.00 0.00 175.17 174.69 2k3x n LEU 4 N 1.31 0.00 0.20 -1.34 7.94 -1.26 -4.49 117.00 119.36 2k3x n LEU 4 Ca -0.22 0.00 0.05 0.00 -1.11 0.00 0.00 56.01 54.73 2k3x n LEU 4 Cb 0.56 0.00 0.42 0.00 0.53 0.00 0.00 43.42 44.94 2k3x n LEU 4 CO 0.21 0.00 0.77 -0.33 -1.11 0.00 0.00 177.39 176.93 2k3x h GLU 5 N 0.00 0.00 0.00 1.96 4.39 -1.90 -2.72 114.58 116.31 2k3x h GLU 5 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2k3x h GLU 5 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2k3x h GLU 5 CO 0.00 0.32 -0.05 0.37 -1.16 0.00 0.00 179.01 178.49 2k3x h GLN 6 N 0.00 0.00 -7.09 2.33 4.15 -1.79 -3.38 115.11 109.33 2k3x h GLN 6 Ca -0.00 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.92 2k3x h GLN 6 Cb 0.63 0.00 0.07 0.00 0.21 0.00 0.00 27.48 28.38 2k3x h GLN 6 CO 0.04 0.05 0.42 -1.21 -1.93 0.00 0.00 178.83 176.21 2k3x s GLU 7 N -3.19 3.39 0.45 1.69 2.02 -1.03 -4.13 118.70 117.91 2k3x s GLU 7 Ca 0.07 1.54 -0.24 0.00 0.02 0.00 0.00 54.97 56.36 2k3x s GLU 7 Cb 0.05 -2.02 -0.09 0.00 0.10 0.00 0.00 34.13 32.18 2k3x s GLU 7 CO 0.68 -0.80 1.21 1.97 0.02 0.00 0.00 175.26 178.33 2k3x n PHE 8 N -1.33 1.86 -4.23 1.61 -1.74 -1.26 -4.66 117.46 107.71 2k3x n PHE 8 Ca 0.11 0.50 -0.17 0.00 -0.56 0.00 0.00 57.45 57.33 2k3x n PHE 8 Cb 0.51 -2.33 -0.13 0.00 1.52 0.00 0.00 39.48 39.06 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 -1.25 0.84 -0.65 1.98 0.00 -1.26 -5.02 121.76 116.40 2k3x s ALA 9 Ca 0.64 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 51.66 2k3x s ALA 9 Cb -0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 2k3x s ALA 9 CO 0.56 0.13 1.78 -1.17 0.00 0.00 0.00 175.76 177.05 2k3x s LEU 10 N -1.04 3.26 0.00 0.00 0.20 -1.26 -0.93 118.68 118.91 2k3x s LEU 10 Ca -0.02 0.14 0.00 0.00 0.69 0.00 0.00 54.13 54.94 2k3x s LEU 10 Cb -0.07 -2.54 0.00 0.00 -0.43 0.00 0.00 46.19 43.15 2k3x s LEU 10 CO 0.01 -2.32 0.00 0.61 -0.29 0.00 0.00 176.35 174.36 2k3x n GLY 11 N 5.75 0.69 3.80 7.98 0.00 -1.22 -5.06 105.19 117.12 2k3x n GLY 11 Ca 0.19 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.67 1.60 0.70 -0.02 0.00 -0.11 -4.87 107.32 101.96 2k3x s GLY 12 Ca 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 44.72 44.29 2k3x s GLY 12 CO 0.00 0.13 1.03 0.50 0.00 0.00 0.00 173.10 174.75 2k3x s ARG 13 N -5.23 2.31 0.35 2.90 0.52 -1.26 -2.39 118.95 116.15 2k3x s ARG 13 Ca 0.62 -0.13 -0.06 0.00 -0.52 0.00 0.00 55.73 55.64 2k3x s ARG 13 Cb -0.14 -2.15 0.03 0.00 0.52 0.00 0.00 34.95 33.21 2k3x s ARG 13 CO 0.54 -1.20 0.57 0.00 0.02 0.00 0.00 175.30 175.23 2k3x s LEU 15 N 0.00 1.20 -0.11 0.00 2.01 0.30 -0.30 118.68 121.78 2k3x s LEU 15 Ca 0.23 0.05 -0.00 0.00 0.01 0.00 0.00 54.13 54.42 2k3x s LEU 15 Cb -0.02 -0.03 0.02 0.00 0.01 0.00 0.00 46.19 46.17 2k3x s LEU 15 CO 0.17 -0.11 -0.07 0.00 1.01 0.00 0.00 176.35 177.34 2k3x s ALA 16 N 0.91 1.31 0.23 4.21 0.00 -0.40 -1.28 121.76 126.74 2k3x s ALA 16 Ca -0.08 -0.53 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 2k3x s ALA 16 Cb -0.11 -0.90 -0.09 0.00 0.00 0.00 0.00 23.12 22.02 2k3x s ALA 16 CO -0.03 -0.41 0.88 0.12 0.00 0.00 0.00 175.76 176.33 2k3x s PHE 17 N 1.69 3.89 -0.10 0.00 2.19 -0.19 -1.42 117.98 124.05 2k3x s PHE 17 Ca 0.05 1.78 -0.02 0.00 0.33 0.00 0.00 56.93 59.07 2k3x s PHE 17 Cb -0.13 -2.89 -0.06 0.00 -1.31 0.00 0.00 43.02 38.64 2k3x s PHE 17 CO -0.08 0.43 -0.11 0.72 1.83 0.00 0.00 175.22 178.01 2k3x n HIS 18 N 1.31 0.00 0.00 10.12 8.25 -0.43 -4.83 115.22 129.64 2k3x n HIS 18 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2k3x n HIS 18 Cb 0.48 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 2.74 1.40 0.32 -1.41 0.00 -1.26 -4.91 105.19 102.06 2k3x n GLY 19 Ca -0.19 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.71 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 0.80 0.00 1.61 0.11 -2.03 -3.45 132.00 129.04 2k3x h PRO 20 Ca 0.00 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 2k3x h PRO 20 Cb 0.00 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 30.90 2k3x h PRO 20 CO 0.00 0.53 -0.07 -0.11 -0.21 0.00 0.00 178.00 178.14 2k3x n LEU 21 N -4.72 0.00 -4.48 2.35 7.94 -1.26 -4.97 117.00 111.86 2k3x n LEU 21 Ca 0.15 -1.21 -0.26 0.00 -1.11 0.00 0.00 56.01 53.58 2k3x n LEU 21 Cb 0.30 1.04 -0.11 0.00 0.53 0.00 0.00 43.42 45.18 2k3x n LEU 21 CO 0.27 -0.27 -0.48 -0.32 -1.11 0.00 0.00 177.39 175.47 2k3x s MET 22 N -2.35 1.71 0.01 1.96 -2.45 -1.26 -1.32 119.30 115.59 2k3x s MET 22 Ca 0.13 -1.51 0.04 0.00 -1.25 0.00 0.00 55.69 53.09 2k3x s MET 22 Cb -0.00 -1.92 -0.01 0.00 1.25 0.00 0.00 34.83 34.15 2k3x s MET 22 CO 0.09 0.39 -0.12 0.71 1.05 0.00 0.00 175.02 177.14 2k3x s TYR 23 N -1.88 1.07 0.38 4.11 2.02 -0.51 -4.94 117.35 117.60 2k3x s TYR 23 Ca 0.24 -0.25 -0.26 0.00 -0.37 0.00 0.00 57.07 56.43 2k3x s TYR 23 Cb -0.07 -0.67 -0.09 0.00 -0.40 0.00 0.00 41.96 40.73 2k3x s TYR 23 CO 0.13 -0.01 1.22 -2.00 -1.57 0.00 0.00 175.55 173.32 2k3x s GLU 24 N -0.55 4.14 0.27 -0.62 2.12 -1.26 -1.27 118.70 121.53 2k3x s GLU 24 Ca 0.03 1.98 0.08 0.00 0.36 0.00 0.00 54.97 57.42 2k3x s GLU 24 Cb -0.06 -2.81 -0.05 0.00 0.26 0.00 0.00 34.13 31.47 2k3x s GLU 24 CO 0.00 -0.29 -0.10 0.00 -0.54 0.00 0.00 175.26 174.33 2k3x s ALA 25 N -1.30 2.40 -0.28 6.30 0.00 0.59 -0.65 121.76 128.81 2k3x s ALA 25 Ca 0.54 -1.87 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 2k3x s ALA 25 Cb -0.34 0.03 0.13 0.00 0.00 0.00 0.00 23.12 22.94 2k3x s ALA 25 CO 0.44 0.03 0.28 0.21 0.00 0.00 0.00 175.76 176.72 2k3x s LYS 26 N -3.66 0.31 0.37 0.00 2.20 -0.78 -0.87 119.74 117.30 2k3x s LYS 26 Ca 0.28 -0.13 -0.28 0.00 -0.36 0.00 0.00 55.97 55.48 2k3x s LYS 26 Cb 0.01 -0.72 -0.11 0.00 -1.51 0.00 0.00 37.83 35.50 2k3x s LYS 26 CO 0.12 -1.00 1.51 0.42 -0.36 0.00 0.00 175.35 176.05 2k3x s ILE 27 N 2.35 2.00 0.21 5.43 1.01 -1.01 -1.57 121.20 129.63 2k3x s ILE 27 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.75 2k3x s ILE 27 Cb -0.14 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.33 2k3x s ILE 27 CO -0.31 0.00 0.00 -0.11 0.00 0.00 0.00 174.94 174.52 2k3x n LEU 28 N 0.68 -0.32 -4.64 2.97 0.00 -0.49 -3.41 117.00 111.79 2k3x n LEU 28 Ca 0.02 0.37 -0.39 0.00 0.00 0.00 0.00 56.01 56.01 2k3x n LEU 28 Cb 0.39 0.47 -0.08 0.00 0.00 0.00 0.00 43.42 44.20 2k3x n LEU 28 CO 0.64 -0.65 0.12 -0.75 0.00 0.00 0.00 177.39 176.74 2k3x s LYS 29 N -1.68 4.11 0.12 1.96 2.20 -1.16 -4.35 119.74 120.94 2k3x s LYS 29 Ca 0.00 0.18 0.10 0.00 -0.36 0.00 0.00 55.97 55.89 2k3x s LYS 29 Cb 0.00 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 2k3x s LYS 29 CO 0.00 -0.17 -0.23 0.96 -0.36 0.00 0.00 175.35 175.55 2k3x s ILE 30 N 1.73 2.52 0.04 5.43 -0.00 0.41 -0.36 121.20 130.98 2k3x s ILE 30 Ca 0.18 -1.64 0.03 0.00 -0.00 0.00 0.00 60.65 59.22 2k3x s ILE 30 Cb -0.15 -2.14 -0.02 0.00 -0.00 0.00 0.00 42.46 40.15 2k3x s ILE 30 CO 0.09 0.10 -0.09 0.86 -0.00 0.00 0.00 174.94 175.90 2k3x s TRP 31 N -1.09 0.78 -0.15 1.37 -0.11 0.21 -0.65 118.94 119.30 2k3x s TRP 31 Ca 0.16 -0.44 -0.04 0.00 1.22 0.00 0.00 56.10 56.99 2k3x s TRP 31 Cb -0.10 -0.46 0.07 0.00 -1.50 0.00 0.00 33.47 31.48 2k3x s TRP 31 CO 0.08 -0.05 0.26 0.34 -4.62 0.00 0.00 176.95 172.96 2k3x s ASP 32 N -1.42 0.55 0.00 5.86 -1.08 -1.23 -1.68 116.67 117.67 2k3x s ASP 32 Ca -0.07 0.41 0.08 0.00 -0.52 0.00 0.00 52.55 52.46 2k3x s ASP 32 Cb -0.09 0.64 0.40 0.00 -1.46 0.00 0.00 42.92 42.41 2k3x s ASP 32 CO 0.01 -0.26 1.18 -0.81 0.52 0.00 0.00 175.17 175.81 2k3x n PRO 33 N 5.34 0.08 0.29 4.34 -0.04 -1.26 -2.49 135.00 141.26 2k3x n PRO 33 Ca -0.06 0.26 0.15 0.00 -0.04 0.00 0.00 63.50 63.80 2k3x n PRO 33 Cb 0.50 -1.50 0.87 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 -1.94 -2.97 113.55 112.20 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 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2k3x h SER 34 CO 0.00 0.03 0.00 -1.20 -1.14 0.00 0.00 176.83 174.52 2k3x n SER 35 N -3.78 0.15 -4.21 3.07 7.64 -1.15 -5.03 113.62 110.31 2k3x n SER 35 Ca -0.03 -0.49 -0.29 0.00 1.01 0.00 0.00 58.87 59.07 2k3x n SER 35 Cb 0.13 0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 63.81 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 -0.56 -1.62 -4.17 1.43 5.02 -1.04 -4.98 118.16 112.23 2k3x n LYS 36 Ca 0.00 0.18 -0.15 0.00 -2.02 0.00 0.00 58.31 56.32 2k3x n LYS 36 Cb 0.02 -3.86 -0.07 0.00 -0.02 0.00 0.00 35.03 31.10 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 -7.15 1.66 0.18 1.97 -1.94 -1.25 -4.90 119.30 107.87 2k3x s MET 37 Ca 0.00 -1.76 0.01 0.00 -1.71 0.00 0.00 55.69 52.22 2k3x s MET 37 Cb -0.00 0.37 0.01 0.00 2.01 0.00 0.00 34.83 37.21 2k3x s MET 37 CO 0.97 -0.64 0.05 2.48 -0.01 0.00 0.00 175.02 177.87 2k3x n TYR 38 N -0.50 -0.18 -3.49 -0.03 0.18 -1.26 -3.47 117.16 108.42 2k3x n TYR 38 Ca 0.03 -0.85 -0.13 0.00 1.88 0.00 0.00 57.90 58.83 2k3x n TYR 38 Cb 0.63 -0.13 -0.04 0.00 -0.38 0.00 0.00 39.34 39.42 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 -1.38 0.00 0.28 -3.48 -4.23 0.18 -3.66 115.64 103.33 2k3x s THR 39 Ca 0.04 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.34 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 0.03 0.00 0.70 -0.55 -0.54 0.00 0.00 174.62 174.26 2k3x s SER 40 N -2.02 -0.26 -0.00 3.99 0.15 -1.26 -0.44 113.70 113.86 2k3x s SER 40 Ca -0.02 -0.62 -0.06 0.00 0.70 0.00 0.00 55.95 55.95 2k3x s SER 40 Cb -0.01 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 2k3x s SER 40 CO -0.03 -1.33 0.11 0.27 1.20 0.00 0.00 173.24 173.46 2k3x s ILE 41 N -3.92 0.07 -0.14 6.45 -5.25 -1.25 -1.48 121.20 115.68 2k3x s ILE 41 Ca 0.11 -0.61 0.01 0.00 -0.99 0.00 0.00 60.65 59.17 2k3x s ILE 41 Cb -0.06 -0.37 0.15 0.00 2.95 0.00 0.00 42.46 45.13 2k3x s ILE 41 CO 0.07 -0.34 1.17 -0.81 -1.79 0.00 0.00 174.94 173.25 2k3x n PRO 42 N 1.72 1.30 0.09 0.37 -0.04 -1.17 -4.40 135.00 132.87 2k3x n PRO 42 Ca -0.21 -0.65 0.13 0.00 -0.04 0.00 0.00 63.50 62.72 2k3x n PRO 42 Cb 0.56 -1.28 0.62 0.00 -0.04 0.00 0.00 33.50 33.36 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 0.25 0.10 0.00 3.54 -1.24 -1.96 -3.45 115.58 112.82 2k3x h ASN 43 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.14 2k3x h ASN 43 Cb 1.37 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.40 2k3x h ASN 43 CO 0.23 0.06 0.00 -0.67 -1.29 0.00 0.00 177.43 175.76 2k3x n ASP 44 N -4.47 1.87 -3.69 1.15 2.03 -1.26 -5.15 116.55 107.03 2k3x n ASP 44 Ca 0.04 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.24 2k3x n ASP 44 Cb 0.32 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.66 2k3x n ASP 44 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2k3x s LYS 45 N 4.94 0.93 0.05 -0.67 -2.85 -1.26 -3.80 119.74 117.08 2k3x s LYS 45 Ca 0.00 -0.54 -0.29 0.00 -1.00 0.00 0.00 55.97 54.14 2k3x s LYS 45 Cb 0.00 0.41 -0.16 0.00 -2.06 0.00 0.00 37.83 36.02 2k3x s LYS 45 CO 0.00 -0.33 1.44 -1.35 0.10 0.00 0.00 175.35 175.22 2k3x h PRO 46 N 2.86 -0.97 0.00 1.78 0.11 -1.81 -3.49 132.00 130.49 2k3x h PRO 46 Ca -0.32 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2k3x h PRO 46 Cb 1.22 0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.55 2k3x h PRO 46 CO 0.46 -0.65 0.00 0.41 -0.21 0.00 0.00 178.00 178.01 2k3x n GLY 47 N -1.51 3.96 0.05 -0.55 0.00 -1.26 -4.72 105.19 101.16 2k3x n GLY 47 Ca -0.12 -0.74 0.10 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.26 3.10 -0.02 0.00 -1.26 -4.73 105.19 101.01 2k3x n GLY 48 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.59 0.78 0.43 1.61 0.01 -1.26 -5.09 113.70 106.60 2k3x s SER 49 Ca 0.08 -0.85 0.24 0.00 1.31 0.00 0.00 55.95 56.72 2k3x s SER 49 Cb 0.11 0.11 0.64 0.00 0.21 0.00 0.00 66.02 67.10 2k3x s SER 49 CO 0.39 -0.43 1.71 0.28 0.41 0.00 0.00 173.24 175.60 2k3x h SER 50 N 3.53 0.00 -2.14 2.44 0.02 -1.98 -3.32 113.55 112.10 2k3x h SER 50 Ca -0.35 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.65 2k3x h SER 50 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2k3x h SER 50 CO 0.57 0.16 0.30 1.67 -1.14 0.00 0.00 176.83 178.39 2k3x n GLN 51 N -3.19 0.61 -2.38 3.45 7.27 -1.26 -4.73 117.38 117.14 2k3x n GLN 51 Ca 0.02 -1.27 -0.15 0.00 0.07 0.00 0.00 57.00 55.67 2k3x n GLN 51 Cb 0.50 1.64 0.03 0.00 2.41 0.00 0.00 30.24 34.82 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 -1.40 4.08 -0.23 1.69 0.00 -1.25 -4.57 120.51 118.84 2k3x n ALA 52 Ca -0.11 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 49.90 2k3x n ALA 52 Cb 0.41 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2k3x n ALA 52 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2k3x n THR 53 N -0.62 0.00 -2.85 0.00 -2.24 -1.26 -3.04 114.28 104.28 2k3x n THR 53 Ca 0.29 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.07 2k3x n THR 53 Cb 0.88 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 2k3x n THR 53 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2k3x n LYS 54 N 0.00 0.00 -1.84 -0.78 3.00 -1.26 -4.66 118.16 112.62 2k3x n LYS 54 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 2k3x n LYS 54 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 2k3x n LYS 54 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2k3x s GLU 55 N -1.21 2.30 0.03 1.64 8.01 -1.26 -3.88 118.70 124.33 2k3x s GLU 55 Ca 0.00 0.62 -0.30 0.00 0.01 0.00 0.00 54.97 55.29 2k3x s GLU 55 Cb 0.00 -4.65 -0.06 0.00 -4.31 0.00 0.00 34.13 25.11 2k3x s GLU 55 CO 0.00 -3.30 1.33 0.42 0.01 0.00 0.00 175.26 173.73 2k3x s ILE 56 N 11.07 3.76 0.34 -1.63 1.01 -0.55 -4.95 121.20 130.25 2k3x s ILE 56 Ca 0.80 1.19 -0.28 0.00 0.00 0.00 0.00 60.65 62.36 2k3x s ILE 56 Cb -0.13 -3.77 -0.10 0.00 0.01 0.00 0.00 42.46 38.48 2k3x s ILE 56 CO 0.16 0.04 1.27 -0.54 0.00 0.00 0.00 174.94 175.86 2k3x s LYS 57 N 1.86 4.33 0.05 2.79 -0.14 -1.26 -4.12 119.74 123.25 2k3x s LYS 57 Ca 0.62 2.12 -0.31 0.00 -1.36 0.00 0.00 55.97 57.05 2k3x s LYS 57 Cb -0.31 -3.02 -0.08 0.00 -1.68 0.00 0.00 37.83 32.74 2k3x s LYS 57 CO 0.27 -0.18 1.59 -1.25 -0.76 0.00 0.00 175.35 175.03 2k3x s PRO 58 N -1.84 4.22 0.02 -1.68 0.04 -1.24 -4.84 135.00 129.68 2k3x s PRO 58 Ca 0.50 2.24 -0.02 0.00 0.04 0.00 0.00 61.00 63.76 2k3x s PRO 58 Cb -0.38 -3.60 -0.02 0.00 0.04 0.00 0.00 34.50 30.54 2k3x s PRO 58 CO 0.50 -0.70 0.02 -0.65 0.04 0.00 0.00 177.00 176.21 2k3x s GLN 59 N 2.62 0.40 0.15 4.56 -0.21 -1.26 -4.94 119.66 120.98 2k3x s GLN 59 Ca 0.71 -0.61 -0.34 0.00 0.02 0.00 0.00 55.36 55.15 2k3x s GLN 59 Cb -0.38 0.15 -0.16 0.00 1.00 0.00 0.00 33.01 33.62 2k3x s GLN 59 CO 0.31 -0.08 1.16 1.63 -2.12 0.00 0.00 175.29 176.19 2k3x n LYS 60 N 1.39 1.07 -3.32 2.91 5.02 -1.26 -4.33 118.16 119.64 2k3x n LYS 60 Ca -0.23 0.38 -0.21 0.00 -2.02 0.00 0.00 58.31 56.23 2k3x n LYS 60 Cb 0.56 -1.89 0.02 0.00 -0.02 0.00 0.00 35.03 33.70 2k3x n LYS 60 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2k3x n LEU 61 N 2.06 0.00 0.00 -0.35 -0.00 -1.26 -4.94 117.00 112.51 2k3x n LEU 61 Ca 0.16 -2.48 0.00 0.00 -0.00 0.00 0.00 56.01 53.68 2k3x n LEU 61 Cb 0.23 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 2k3x n LEU 61 CO 0.61 -0.61 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 2k3x n GLY 62 N -1.17 1.98 0.14 1.47 0.00 -1.26 -5.05 105.19 101.31 2k3x n GLY 62 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 0.49 0.00 1.61 4.39 -2.02 -3.43 114.58 115.63 2k3x h GLU 63 Ca 0.00 -0.83 0.00 0.00 0.34 0.00 0.00 59.36 58.87 2k3x h GLU 63 Cb 0.00 0.31 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2k3x h GLU 63 CO 0.00 1.40 0.00 -3.47 -1.16 0.00 0.00 179.01 175.78 2k3x n ASP 64 N -3.68 0.00 -3.82 1.42 2.03 -1.26 -5.14 116.55 106.09 2k3x n ASP 64 Ca -0.15 -1.00 -0.09 0.00 0.52 0.00 0.00 54.79 54.07 2k3x n ASP 64 Cb 1.08 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.42 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 0.88 -0.13 -0.67 1.03 -1.26 -5.09 118.70 113.46 2k3x s GLU 65 Ca 0.00 -0.92 -0.08 0.00 0.03 0.00 0.00 54.97 54.00 2k3x s GLU 65 Cb 0.00 0.36 0.05 0.00 -0.80 0.00 0.00 34.13 33.74 2k3x s GLU 65 CO 0.00 -0.29 0.33 -1.12 -1.33 0.00 0.00 175.26 172.84 2k3x s SER 66 N -2.85 -0.38 -0.26 0.83 0.01 -1.26 -4.02 113.70 105.77 2k3x s SER 66 Ca 0.05 0.69 -0.20 0.00 1.31 0.00 0.00 55.95 57.80 2k3x s SER 66 Cb 0.04 0.61 -0.02 0.00 0.21 0.00 0.00 66.02 66.87 2k3x s SER 66 CO -0.11 -0.16 0.63 0.27 0.41 0.00 0.00 173.24 174.28 2k3x s ILE 67 N 1.03 4.97 0.65 1.44 -0.00 -1.26 -4.83 121.20 123.20 2k3x s ILE 67 Ca -0.07 1.08 -0.15 0.00 -0.00 0.00 0.00 60.65 61.51 2k3x s ILE 67 Cb -0.08 -3.95 -0.01 0.00 -0.00 0.00 0.00 42.46 38.43 2k3x s ILE 67 CO -0.08 -0.01 1.12 -2.16 -0.00 0.00 0.00 174.94 173.81 2k3x s PRO 68 N 2.53 2.84 0.61 0.37 0.04 -1.26 -4.86 135.00 135.28 2k3x s PRO 68 Ca 0.26 1.43 0.32 0.00 0.04 0.00 0.00 61.00 63.05 2k3x s PRO 68 Cb -0.15 -1.95 1.81 0.00 0.04 0.00 0.00 34.50 34.24 2k3x s PRO 68 CO 0.09 -1.23 2.14 0.93 0.04 0.00 0.00 177.00 178.97 2k3x h GLU 69 N 0.15 0.00 -0.93 4.56 5.08 -1.99 -1.47 114.58 119.99 2k3x h GLU 69 Ca -0.47 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.02 2k3x h GLU 69 Cb 1.25 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 2k3x h GLU 69 CO 0.54 0.00 0.55 1.49 -1.00 0.00 0.00 179.01 180.59 2k3x h GLU 70 N 0.00 0.79 0.00 2.33 4.81 -2.04 -3.18 114.58 117.29 2k3x h GLU 70 Ca 0.05 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.05 2k3x h GLU 70 Cb 0.39 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 2k3x h GLU 70 CO -0.00 0.52 -1.98 0.44 -0.73 0.00 0.00 179.01 177.26 2k3x n ILE 71 N -4.74 0.70 -0.33 2.32 -5.35 -0.59 -4.69 119.36 106.69 2k3x n ILE 71 Ca 0.18 -0.58 0.17 0.00 -0.27 0.00 0.00 62.75 62.26 2k3x n ILE 71 Cb 0.40 -0.33 0.40 0.00 -1.74 0.00 0.00 39.64 38.37 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 0.62 0.00 7.28 2.04 -1.44 -2.30 117.51 123.71 2k3x h ILE 72 Ca -0.28 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2k3x h ILE 72 Cb 1.56 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2k3x h ILE 72 CO 0.02 0.11 0.00 -0.46 0.00 0.00 0.00 178.15 177.81 2k3x n ASN 73 N -4.73 0.00 -3.32 1.72 0.23 -1.26 -4.13 115.26 103.77 2k3x n ASN 73 Ca 0.24 -0.75 -0.15 0.00 -0.53 0.00 0.00 54.58 53.40 2k3x n ASN 73 Cb 0.70 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.35 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 -1.70 1.53 0.06 4.83 0.00 -0.87 -4.97 107.32 106.21 2k3x s GLY 74 Ca 0.07 -1.55 -0.37 0.00 0.00 0.00 0.00 44.72 42.87 2k3x s GLY 74 CO 0.05 -1.04 1.43 0.28 0.00 0.00 0.00 173.10 173.82 2k3x n LYS 75 N -0.55 1.33 -4.36 2.90 4.76 -1.26 -4.51 118.16 116.47 2k3x n LYS 75 Ca 0.01 0.48 -0.26 0.00 -2.87 0.00 0.00 58.31 55.68 2k3x n LYS 75 Cb 0.62 -2.15 -0.12 0.00 -1.84 0.00 0.00 35.03 31.53 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 -1.43 0.63 -0.27 0.00 0.08 -0.15 -0.62 117.98 116.21 2k3x s PHE 77 Ca 0.14 -0.39 -0.29 0.00 0.12 0.00 0.00 56.93 56.51 2k3x s PHE 77 Cb -0.09 -0.82 -0.02 0.00 -0.57 0.00 0.00 43.02 41.53 2k3x s PHE 77 CO 0.07 -0.45 1.54 0.12 -0.10 0.00 0.00 175.22 176.40 2k3x s PHE 78 N 1.99 2.24 0.07 0.36 5.36 0.51 -1.55 117.98 126.96 2k3x s PHE 78 Ca 0.02 0.64 0.08 0.00 -0.96 0.00 0.00 56.93 56.71 2k3x s PHE 78 Cb -0.15 -4.01 -0.03 0.00 -0.34 0.00 0.00 43.02 38.49 2k3x s PHE 78 CO -0.07 -2.57 -0.22 0.96 -1.46 0.00 0.00 175.22 171.87 2k3x s ILE 79 N 5.19 1.76 -0.32 3.12 -4.36 -0.15 -1.39 121.20 125.04 2k3x s ILE 79 Ca 0.68 -1.36 -0.25 0.00 -0.26 0.00 0.00 60.65 59.46 2k3x s ILE 79 Cb -0.22 -1.55 0.01 0.00 1.25 0.00 0.00 42.46 41.95 2k3x s ILE 79 CO 0.29 0.13 0.85 -2.28 0.24 0.00 0.00 174.94 174.16 2k3x s HIS 80 N -0.93 3.17 -0.51 1.37 5.65 -0.61 -2.22 115.29 121.21 2k3x s HIS 80 Ca 0.08 0.83 -0.28 0.00 0.25 0.00 0.00 55.06 55.93 2k3x s HIS 80 Cb -0.09 -3.37 0.02 0.00 -1.18 0.00 0.00 32.58 27.96 2k3x s HIS 80 CO 0.03 -0.65 1.31 0.71 -0.65 0.00 0.00 174.74 175.48 2k3x s TYR 81 N 3.15 2.50 0.67 3.88 2.02 -1.25 -1.86 117.35 126.44 2k3x s TYR 81 Ca 0.35 0.56 -0.12 0.00 -0.37 0.00 0.00 57.07 57.49 2k3x s TYR 81 Cb -0.13 -4.41 -0.00 0.00 -0.40 0.00 0.00 41.96 37.01 2k3x s TYR 81 CO 0.14 -1.74 1.06 -0.65 -1.57 0.00 0.00 175.55 172.79 2k3x s GLN 82 N 5.02 3.05 0.00 -0.62 -0.21 0.17 -3.26 119.66 123.81 2k3x s GLN 82 Ca 0.52 1.01 0.00 0.00 0.02 0.00 0.00 55.36 56.91 2k3x s GLN 82 Cb -0.10 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.91 2k3x s GLN 82 CO 0.28 -1.01 0.00 0.41 -2.12 0.00 0.00 175.29 172.85 2k3x n GLY 83 N -1.75 0.45 3.22 3.09 0.00 -1.26 -4.39 105.19 104.55 2k3x n GLY 83 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.20 1.14 0.39 1.61 0.52 -1.20 -5.13 118.94 114.07 2k3x s TRP 84 Ca 0.00 -1.19 -0.27 0.00 0.02 0.00 0.00 56.10 54.66 2k3x s TRP 84 Cb 0.00 -0.63 -0.11 0.00 -1.15 0.00 0.00 33.47 31.58 2k3x s TRP 84 CO 0.00 -0.42 1.36 1.63 0.02 0.00 0.00 176.95 179.54 2k3x n LYS 85 N -0.24 2.23 0.07 4.98 4.76 -1.26 -4.87 118.16 123.82 2k3x n LYS 85 Ca -0.03 0.79 0.04 0.00 -2.87 0.00 0.00 58.31 56.23 2k3x n LYS 85 Cb 0.64 -2.48 0.23 0.00 -1.84 0.00 0.00 35.03 31.58 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 0.38 0.22 0.27 4.39 7.64 -1.26 -0.91 113.62 124.34 2k3x n SER 86 Ca 0.04 0.57 0.17 0.00 1.01 0.00 0.00 58.87 60.67 2k3x n SER 86 Cb 0.39 -0.60 0.92 0.00 -1.01 0.00 0.00 64.21 63.91 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 -0.01 6.43 0.02 -1.97 -1.02 113.55 117.00 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 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 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 -3.64 0.01 -1.81 3.45 7.02 -0.09 -4.74 117.44 117.64 2k3x n TRP 88 Ca -0.01 -0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.11 2k3x n TRP 88 Cb 0.20 -0.03 -0.03 0.00 -2.42 0.00 0.00 31.31 29.04 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 -0.75 4.83 -0.00 -0.99 1.01 -0.39 -3.85 116.67 116.52 2k3x s ASP 89 Ca 0.00 0.59 -0.07 0.00 0.71 0.00 0.00 52.55 53.78 2k3x s ASP 89 Cb 0.00 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.42 2k3x s ASP 89 CO 0.00 -2.69 0.14 -0.70 0.21 0.00 0.00 175.17 172.13 2k3x s GLU 90 N 7.67 0.48 0.48 8.23 2.56 -0.94 -4.91 118.70 132.27 2k3x s GLU 90 Ca 0.82 -0.37 -0.17 0.00 0.00 0.00 0.00 54.97 55.25 2k3x s GLU 90 Cb -0.14 0.20 -0.09 0.00 2.00 0.00 0.00 34.13 36.10 2k3x s GLU 90 CO 0.21 -0.11 0.96 -1.58 -0.56 0.00 0.00 175.26 174.18 2k3x s TRP 91 N -1.32 3.41 0.08 5.30 0.52 -1.26 -0.98 118.94 124.70 2k3x s TRP 91 Ca -0.14 1.47 0.01 0.00 0.02 0.00 0.00 56.10 57.47 2k3x s TRP 91 Cb -0.07 -2.78 -0.04 0.00 -1.15 0.00 0.00 33.47 29.43 2k3x s TRP 91 CO 0.02 -0.27 -0.06 0.14 0.02 0.00 0.00 176.95 176.79 2k3x s VAL 92 N -2.48 0.59 0.53 4.03 -7.23 -0.60 -4.92 120.40 110.33 2k3x s VAL 92 Ca 0.59 -1.82 0.05 0.00 -1.81 0.00 0.00 61.98 58.99 2k3x s VAL 92 Cb -0.10 -1.54 0.05 0.00 0.56 0.00 0.00 36.38 35.35 2k3x s VAL 92 CO 0.26 -0.85 0.73 -0.83 -0.31 0.00 0.00 175.10 174.11 2k3x s GLY 93 N -2.87 1.85 0.56 2.32 0.00 -1.26 -0.98 107.32 106.93 2k3x s GLY 93 Ca 0.09 -1.67 0.37 0.00 0.00 0.00 0.00 44.72 43.51 2k3x s GLY 93 CO -0.05 -1.35 2.13 -0.97 0.00 0.00 0.00 173.10 172.85 2k3x h TYR 94 N 0.23 0.00 -0.59 1.90 0.05 -1.78 -0.55 116.97 116.23 2k3x h TYR 94 Ca -0.38 0.00 0.17 0.00 0.05 0.00 0.00 58.73 58.57 2k3x h TYR 94 Cb 1.29 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.00 2k3x h TYR 94 CO 0.32 0.00 0.49 0.22 -1.05 0.00 0.00 178.16 178.14 2k3x h ASP 95 N 0.00 0.00 0.00 3.88 3.58 -1.94 -3.23 116.42 118.71 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 0.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2k3x h ASP 95 CO 0.00 0.00 -0.83 0.54 -2.88 0.00 0.00 179.24 176.07 2k3x n ARG 96 N -4.04 2.79 -4.17 0.28 1.74 -0.32 -4.99 116.66 107.95 2k3x n ARG 96 Ca 0.11 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.95 2k3x n ARG 96 Cb 0.72 -0.92 -0.06 0.00 -1.02 0.00 0.00 32.46 31.18 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 -1.79 4.04 0.06 0.55 2.07 -0.57 -1.02 121.20 124.54 2k3x s ILE 97 Ca 0.00 -1.42 -0.04 0.00 -1.41 0.00 0.00 60.65 57.79 2k3x s ILE 97 Cb 0.00 -3.10 -0.03 0.00 0.13 0.00 0.00 42.46 39.47 2k3x s ILE 97 CO 0.00 -0.21 0.04 -0.13 -1.91 0.00 0.00 174.94 172.73 2k3x s ARG 98 N -3.32 0.68 1.01 3.50 0.52 -0.40 -4.51 118.95 116.43 2k3x s ARG 98 Ca 0.30 -1.12 -0.15 0.00 -0.52 0.00 0.00 55.73 54.24 2k3x s ARG 98 Cb -0.09 0.25 0.19 0.00 0.52 0.00 0.00 34.95 35.83 2k3x s ARG 98 CO 0.21 -0.16 1.17 0.00 0.02 0.00 0.00 175.30 176.54 2k3x s ALA 99 N -3.85 1.50 -0.05 2.13 0.00 -1.26 -0.53 121.76 119.69 2k3x s ALA 99 Ca 0.06 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 2k3x s ALA 99 Cb 0.07 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 2k3x s ALA 99 CO -0.10 -2.70 1.40 -0.47 0.00 0.00 0.00 175.76 173.88 2k3x s TYR 100 N -3.31 2.72 0.14 0.00 5.04 0.80 -4.52 117.35 118.22 2k3x s TYR 100 Ca 0.68 0.78 -0.25 0.00 -2.44 0.00 0.00 57.07 55.84 2k3x s TYR 100 Cb -0.11 -3.65 0.07 0.00 0.35 0.00 0.00 41.96 38.61 2k3x s TYR 100 CO 0.54 -2.43 0.84 0.54 -1.34 0.00 0.00 175.55 173.70 2k3x s ASN 101 N 2.13 -0.30 0.40 4.32 2.20 -1.26 -4.42 114.94 118.01 2k3x s ASN 101 Ca 0.63 -0.27 0.08 0.00 -0.94 0.00 0.00 52.86 52.35 2k3x s ASN 101 Cb -0.29 0.52 0.83 0.00 -2.00 0.00 0.00 41.25 40.32 2k3x s ASN 101 CO 0.24 -0.92 2.00 -0.08 -2.94 0.00 0.00 177.10 175.40 2k3x h GLU 102 N 2.00 0.43 -0.37 3.55 4.57 -1.97 -0.63 114.58 122.16 2k3x h GLU 102 Ca -0.24 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 57.79 2k3x h GLU 102 Cb 1.25 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 2k3x h GLU 102 CO 0.28 0.37 -0.17 1.49 -1.18 0.00 0.00 179.01 179.80 2k3x h GLU 103 N 0.43 0.68 0.00 1.92 4.81 -1.98 0.30 114.58 120.75 2k3x h GLU 103 Ca 0.11 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2k3x h GLU 103 Cb 0.11 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2k3x h GLU 103 CO -0.01 0.82 -0.06 -0.91 -0.73 0.00 0.00 179.01 178.12 2k3x h ASN 104 N 0.61 0.00 1.01 1.04 2.35 -1.57 -1.49 115.58 117.53 2k3x h ASN 104 Ca 0.10 -0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.66 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 0.00 -1.04 0.40 -1.65 0.00 0.00 177.43 175.19 2k3x h ILE 105 N 0.00 1.02 -0.50 2.81 5.03 -0.74 0.51 117.51 125.64 2k3x h ILE 105 Ca 0.00 -2.58 -0.09 0.00 -0.12 0.00 0.00 64.86 62.07 2k3x h ILE 105 Cb 0.90 2.45 -0.02 0.00 -3.03 0.00 0.00 36.82 37.12 2k3x h ILE 105 CO 0.00 0.58 -0.03 0.00 -0.68 0.00 0.00 178.15 178.02 2k3x h ALA 106 N 1.26 0.68 -0.43 1.87 0.00 -0.11 0.18 119.26 122.72 2k3x h ALA 106 Ca -0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2k3x h ALA 106 Cb 1.64 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2k3x h ALA 106 CO 0.08 0.52 0.20 0.00 0.00 0.00 0.00 179.25 180.05 2k3x h MET 107 N 0.77 0.62 0.27 0.00 -0.00 -1.26 -1.56 114.93 113.77 2k3x h MET 107 Ca 0.14 -0.09 -0.00 0.00 -0.00 0.00 0.00 59.70 59.74 2k3x h MET 107 Cb 0.57 -0.11 -0.01 0.00 -0.00 0.00 0.00 31.60 32.04 2k3x h MET 107 CO 0.03 0.54 -0.23 -0.22 -0.00 0.00 0.00 176.91 177.03 2k3x h LYS 108 N 0.55 -0.50 -0.39 -0.10 1.63 -0.49 -0.65 116.57 116.62 2k3x h LYS 108 Ca 0.15 0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.85 2k3x h LYS 108 Cb 0.13 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 2k3x h LYS 108 CO -0.02 -0.33 -0.26 1.57 -3.45 0.00 0.00 179.45 176.96 2k3x h LYS 109 N -0.52 0.82 -0.89 1.90 2.10 -0.64 0.17 116.57 119.51 2k3x h LYS 109 Ca -0.01 -0.36 -0.01 0.00 -2.00 0.00 0.00 60.65 58.27 2k3x h LYS 109 Cb 0.46 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.73 2k3x h LYS 109 CO -0.02 0.99 0.53 -0.09 -2.00 0.00 0.00 179.45 178.86 2k3x h ARG 110 N 0.70 1.21 -0.01 0.07 1.12 -1.20 -2.48 114.38 113.80 2k3x h ARG 110 Ca 0.09 -0.11 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 2k3x h ARG 110 Cb 0.80 -0.25 0.00 0.00 -0.01 0.00 0.00 29.97 30.51 2k3x h ARG 110 CO 0.07 0.85 -0.02 -0.07 -3.11 0.00 0.00 179.97 177.69 2k3x h LEU 111 N 1.23 0.03 -2.26 3.80 3.38 -0.56 -3.24 115.31 117.69 2k3x h LEU 111 Ca 0.32 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.75 2k3x h LEU 111 Cb -0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2k3x h LEU 111 CO -0.06 0.59 0.08 0.00 0.09 0.00 0.00 178.44 179.15 2k3x h ALA 112 N 0.44 1.78 0.00 1.53 0.00 -0.64 0.17 119.26 122.54 2k3x h ALA 112 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k3x h ALA 112 Cb 0.59 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k3x h ALA 112 CO 0.00 -0.13 -0.05 -0.97 0.00 0.00 0.00 179.25 178.11 2k3x h ASN 113 N 0.00 0.00 0.95 0.00 -1.24 -1.47 -2.69 115.58 111.14 2k3x h ASN 113 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 2k3x h ASN 113 Cb 0.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.26 2k3x h ASN 113 CO -0.00 0.05 -0.91 0.25 -1.29 0.00 0.00 177.43 175.52 2k3x h LEU 114 N 0.00 0.00 0.00 0.34 6.46 -0.78 -3.52 115.31 117.81 2k3x h LEU 114 Ca -0.00 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2k3x h LEU 114 Cb 0.11 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 2k3x h LEU 114 CO 0.01 0.03 0.00 1.21 -0.62 0.00 0.00 178.44 179.07