#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 0.28 0.00 1.12 -7.23 -1.26 -5.07 120.40 108.24 2k3x s VAL 2 Ca 0.00 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 2k3x s VAL 2 Cb 0.00 -1.04 0.00 0.00 0.56 0.00 0.00 36.38 35.90 2k3x s VAL 2 CO 0.00 -0.76 0.00 -0.67 -0.31 0.00 0.00 175.10 173.36 2k3x n ASP 3 N 0.71 0.00 0.00 4.85 2.03 -1.26 -4.94 116.55 117.94 2k3x n ASP 3 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2k3x n ASP 3 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 2k3x n ASP 3 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2k3x n LEU 4 N -0.16 0.00 0.29 -2.67 7.94 -1.26 -4.81 117.00 116.33 2k3x n LEU 4 Ca 0.00 0.00 0.17 0.00 -1.11 0.00 0.00 56.01 55.07 2k3x n LEU 4 Cb 0.00 0.00 0.88 0.00 0.53 0.00 0.00 43.42 44.83 2k3x n LEU 4 CO 0.00 0.00 1.06 -0.33 -1.11 0.00 0.00 177.39 177.01 2k3x h GLU 5 N 0.00 0.00 0.00 1.96 3.07 -1.92 -1.49 114.58 116.20 2k3x h GLU 5 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 2k3x h GLU 5 Cb 0.40 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2k3x h GLU 5 CO 0.00 0.05 -0.24 0.37 -1.40 0.00 0.00 179.01 177.79 2k3x h GLN 6 N 0.00 0.00 -7.05 2.33 4.15 -1.85 -3.30 115.11 109.39 2k3x h GLN 6 Ca -0.00 0.00 -0.44 0.00 0.77 0.00 0.00 58.65 58.98 2k3x h GLN 6 Cb 0.23 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 2k3x h GLN 6 CO 0.01 0.24 0.33 -1.21 -1.93 0.00 0.00 178.83 176.27 2k3x s GLU 7 N -3.11 4.21 0.36 1.69 2.02 -0.56 -3.84 118.70 119.48 2k3x s GLU 7 Ca 0.05 1.09 -0.26 0.00 0.02 0.00 0.00 54.97 55.88 2k3x s GLU 7 Cb 0.06 -2.19 -0.12 0.00 0.10 0.00 0.00 34.13 31.98 2k3x s GLU 7 CO 0.70 -0.03 1.04 1.97 0.02 0.00 0.00 175.26 178.96 2k3x n PHE 8 N -0.65 1.32 -4.09 1.61 -1.74 -1.26 -4.61 117.46 108.03 2k3x n PHE 8 Ca 0.07 0.61 -0.11 0.00 -0.56 0.00 0.00 57.45 57.45 2k3x n PHE 8 Cb 0.54 -2.26 -0.11 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 -1.18 0.66 -1.05 1.98 0.00 -1.26 -5.01 121.76 115.91 2k3x s ALA 9 Ca 0.60 -0.97 -0.23 0.00 0.00 0.00 0.00 51.96 51.37 2k3x s ALA 9 Cb -0.61 0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.62 2k3x s ALA 9 CO 0.59 -0.12 1.73 -0.51 0.00 0.00 0.00 175.76 177.44 2k3x s LEU 10 N -2.13 3.38 0.00 0.00 2.01 -1.26 -0.93 118.68 119.75 2k3x s LEU 10 Ca -0.02 -1.37 0.00 0.00 0.01 0.00 0.00 54.13 52.75 2k3x s LEU 10 Cb -0.04 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.59 2k3x s LEU 10 CO -0.02 -2.09 0.00 0.61 1.01 0.00 0.00 176.35 175.86 2k3x n GLY 11 N 6.50 1.02 3.79 -3.19 0.00 -1.24 -5.01 105.19 107.06 2k3x n GLY 11 Ca 0.39 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.49 1.66 0.80 -0.02 0.00 -0.10 -4.90 107.32 102.27 2k3x s GLY 12 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 44.72 44.72 2k3x s GLY 12 CO 0.00 0.45 1.13 0.50 0.00 0.00 0.00 173.10 175.18 2k3x s ARG 13 N -5.00 1.65 0.35 2.90 0.52 -1.26 -2.34 118.95 115.78 2k3x s ARG 13 Ca 0.60 -0.32 -0.14 0.00 -0.52 0.00 0.00 55.73 55.35 2k3x s ARG 13 Cb -0.15 -2.05 0.04 0.00 0.52 0.00 0.00 34.95 33.30 2k3x s ARG 13 CO 0.55 -1.67 0.71 0.00 0.02 0.00 0.00 175.30 174.91 2k3x s LEU 15 N -3.07 2.06 -0.01 0.00 2.01 -0.05 -0.52 118.68 119.11 2k3x s LEU 15 Ca 0.18 -0.23 0.05 0.00 0.01 0.00 0.00 54.13 54.14 2k3x s LEU 15 Cb -0.04 -0.39 -0.01 0.00 0.01 0.00 0.00 46.19 45.76 2k3x s LEU 15 CO 0.12 0.05 -0.15 0.00 1.01 0.00 0.00 176.35 177.37 2k3x s ALA 16 N -0.41 1.28 -0.09 4.21 0.00 -0.30 -1.40 121.76 125.05 2k3x s ALA 16 Ca 0.01 -0.68 -0.16 0.00 0.00 0.00 0.00 51.96 51.13 2k3x s ALA 16 Cb -0.04 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 2k3x s ALA 16 CO -0.00 0.31 0.42 0.12 0.00 0.00 0.00 175.76 176.61 2k3x s PHE 17 N -0.41 3.57 -0.19 0.00 2.19 -0.13 -1.33 117.98 121.68 2k3x s PHE 17 Ca 0.06 0.86 -0.01 0.00 0.33 0.00 0.00 56.93 58.17 2k3x s PHE 17 Cb -0.06 -2.43 -0.12 0.00 -1.31 0.00 0.00 43.02 39.10 2k3x s PHE 17 CO -0.00 0.33 -0.19 0.72 1.83 0.00 0.00 175.22 177.91 2k3x n HIS 18 N 3.08 0.00 0.00 10.12 8.25 -0.17 -4.81 115.22 131.69 2k3x n HIS 18 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2k3x n HIS 18 Cb 0.52 -0.74 0.00 0.00 1.12 0.00 0.00 29.99 30.89 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 2.41 1.44 0.27 -1.41 0.00 -1.26 -4.90 105.19 101.75 2k3x n GLY 19 Ca -0.35 -0.18 0.01 0.00 0.00 0.00 0.00 46.02 45.50 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 0.62 0.00 1.61 0.11 -2.03 -3.46 132.00 128.85 2k3x h PRO 20 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2k3x h PRO 20 Cb 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.97 2k3x h PRO 20 CO 0.00 0.41 0.00 -0.11 -0.21 0.00 0.00 178.00 178.09 2k3x n LEU 21 N -4.83 0.00 -3.89 2.35 7.94 -1.26 -4.96 117.00 112.34 2k3x n LEU 21 Ca 0.11 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.86 2k3x n LEU 21 Cb 0.26 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.06 2k3x n LEU 21 CO 0.26 0.00 -0.38 -0.32 -1.11 0.00 0.00 177.39 175.84 2k3x s MET 22 N -1.15 0.22 0.32 1.96 -2.45 -1.26 -1.00 119.30 115.93 2k3x s MET 22 Ca 0.00 -0.05 0.03 0.00 -1.25 0.00 0.00 55.69 54.42 2k3x s MET 22 Cb 0.00 -0.25 -0.06 0.00 1.25 0.00 0.00 34.83 35.77 2k3x s MET 22 CO 0.00 0.01 0.07 0.71 1.05 0.00 0.00 175.02 176.86 2k3x s TYR 23 N 0.19 1.85 0.33 4.11 2.02 -0.45 -4.96 117.35 120.45 2k3x s TYR 23 Ca -0.02 -1.04 -0.18 0.00 -0.37 0.00 0.00 57.07 55.46 2k3x s TYR 23 Cb -0.04 -1.18 -0.09 0.00 -0.40 0.00 0.00 41.96 40.25 2k3x s TYR 23 CO -0.00 -0.10 0.80 -1.21 -1.57 0.00 0.00 175.55 173.46 2k3x s GLU 24 N -3.91 4.14 0.15 -0.62 8.01 -1.25 -1.15 118.70 124.07 2k3x s GLU 24 Ca 0.36 0.86 0.04 0.00 0.01 0.00 0.00 54.97 56.24 2k3x s GLU 24 Cb 0.08 -2.47 -0.04 0.00 -4.31 0.00 0.00 34.13 27.39 2k3x s GLU 24 CO 0.15 0.16 -0.09 0.00 0.01 0.00 0.00 175.26 175.49 2k3x s ALA 25 N -1.93 1.41 -0.28 5.21 0.00 0.33 -1.00 121.76 125.49 2k3x s ALA 25 Ca 0.54 -1.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 2k3x s ALA 25 Cb -0.12 0.11 0.13 0.00 0.00 0.00 0.00 23.12 23.24 2k3x s ALA 25 CO 0.17 -0.13 0.30 0.21 0.00 0.00 0.00 175.76 176.31 2k3x s LYS 26 N -3.77 0.31 0.19 0.00 2.20 -0.58 -1.06 119.74 117.03 2k3x s LYS 26 Ca 0.17 -0.07 -0.33 0.00 -0.36 0.00 0.00 55.97 55.39 2k3x s LYS 26 Cb 0.03 -0.69 -0.13 0.00 -1.51 0.00 0.00 37.83 35.54 2k3x s LYS 26 CO 0.00 -0.98 1.65 -0.89 -0.36 0.00 0.00 175.35 174.78 2k3x n ILE 27 N 5.32 0.08 0.03 5.43 5.41 -0.99 -1.52 119.36 133.11 2k3x n ILE 27 Ca -0.02 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2k3x n ILE 27 Cb 0.47 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.61 2k3x n ILE 27 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2k3x n LEU 28 N 3.61 0.08 -4.52 1.39 0.00 -0.40 -3.60 117.00 113.56 2k3x n LEU 28 Ca 0.16 0.10 -0.34 0.00 0.00 0.00 0.00 56.01 55.93 2k3x n LEU 28 Cb 0.32 0.04 -0.12 0.00 0.00 0.00 0.00 43.42 43.66 2k3x n LEU 28 CO 0.64 -0.43 -0.33 -0.54 0.00 0.00 0.00 177.39 176.72 2k3x s LYS 29 N -2.00 3.73 0.22 1.96 1.02 -1.13 -4.00 119.74 119.53 2k3x s LYS 29 Ca 0.00 -0.48 0.09 0.00 0.02 0.00 0.00 55.97 55.60 2k3x s LYS 29 Cb 0.00 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 34.27 2k3x s LYS 29 CO 0.00 0.23 -0.18 0.96 -0.92 0.00 0.00 175.35 175.44 2k3x s ILE 30 N 0.42 2.03 0.03 2.17 -0.00 -0.14 -0.29 121.20 125.42 2k3x s ILE 30 Ca -0.02 -2.20 0.01 0.00 -0.00 0.00 0.00 60.65 58.43 2k3x s ILE 30 Cb -0.14 -2.09 -0.02 0.00 -0.00 0.00 0.00 42.46 40.21 2k3x s ILE 30 CO 0.02 -0.45 -0.04 0.86 -0.00 0.00 0.00 174.94 175.34 2k3x s TRP 31 N -2.55 0.38 -0.08 1.37 -0.11 0.06 -0.12 118.94 117.89 2k3x s TRP 31 Ca 0.23 -0.56 -0.03 0.00 1.22 0.00 0.00 56.10 56.96 2k3x s TRP 31 Cb -0.04 -0.26 0.04 0.00 -1.50 0.00 0.00 33.47 31.72 2k3x s TRP 31 CO 0.10 -0.17 0.17 0.34 -4.62 0.00 0.00 176.95 172.76 2k3x s ASP 32 N -1.59 0.08 0.22 5.86 -1.08 -1.23 -1.67 116.67 117.26 2k3x s ASP 32 Ca -0.13 0.36 0.16 0.00 -0.52 0.00 0.00 52.55 52.42 2k3x s ASP 32 Cb -0.09 0.27 0.82 0.00 -1.46 0.00 0.00 42.92 42.47 2k3x s ASP 32 CO -0.01 -0.18 1.48 -2.65 0.52 0.00 0.00 175.17 174.33 2k3x n PRO 33 N 4.52 0.10 0.25 4.34 -0.02 -1.26 -1.27 135.00 141.66 2k3x n PRO 33 Ca -0.20 0.57 0.11 0.00 -2.02 0.00 0.00 63.50 61.95 2k3x n PRO 33 Cb 0.51 -1.81 0.64 0.00 -0.02 0.00 0.00 33.50 32.82 2k3x n PRO 33 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2k3x h SER 34 N 0.00 0.00 0.00 2.55 0.02 -1.95 -3.25 113.55 110.92 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 0.16 -0.26 -1.20 -1.14 0.00 0.00 176.83 174.40 2k3x n SER 35 N -3.70 1.28 -4.19 3.07 7.64 -1.09 -5.04 113.62 111.60 2k3x n SER 35 Ca -0.02 -0.13 -0.31 0.00 1.01 0.00 0.00 58.87 59.43 2k3x n SER 35 Cb 0.28 0.51 -0.07 0.00 -1.01 0.00 0.00 64.21 63.92 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 -0.64 -1.52 -4.08 1.43 5.02 -0.40 -4.98 118.16 113.00 2k3x n LYS 36 Ca 0.00 0.18 -0.10 0.00 -2.02 0.00 0.00 58.31 56.37 2k3x n LYS 36 Cb 0.00 -3.76 -0.08 0.00 -0.02 0.00 0.00 35.03 31.17 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 -7.14 1.17 0.00 1.97 -1.94 -1.26 -4.94 119.30 107.16 2k3x s MET 37 Ca 0.05 -1.38 0.00 0.00 -1.71 0.00 0.00 55.69 52.65 2k3x s MET 37 Cb -0.02 0.33 0.00 0.00 2.01 0.00 0.00 34.83 37.14 2k3x s MET 37 CO 0.97 -0.41 0.00 2.48 -0.01 0.00 0.00 175.02 178.05 2k3x n TYR 38 N -0.22 -1.84 -3.49 -0.03 0.18 -1.26 -3.48 117.16 107.01 2k3x n TYR 38 Ca -0.03 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.65 2k3x n TYR 38 Cb 0.64 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.58 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 0.56 0.00 0.23 -3.48 -4.23 0.83 -3.52 115.64 106.02 2k3x s THR 39 Ca 0.00 -0.09 -0.23 0.00 -1.18 0.00 0.00 61.69 60.20 2k3x s THR 39 Cb 0.00 -1.10 0.04 0.00 1.34 0.00 0.00 72.50 72.77 2k3x s THR 39 CO 0.00 0.00 0.82 -0.55 -0.54 0.00 0.00 174.62 174.35 2k3x s SER 40 N -2.66 -0.23 0.06 3.99 0.15 -1.25 -0.96 113.70 112.80 2k3x s SER 40 Ca 0.04 -0.52 0.06 0.00 0.70 0.00 0.00 55.95 56.22 2k3x s SER 40 Cb -0.01 0.63 -0.03 0.00 -1.71 0.00 0.00 66.02 64.90 2k3x s SER 40 CO -0.10 -1.16 -0.16 0.27 1.20 0.00 0.00 173.24 173.30 2k3x s ILE 41 N -3.65 1.24 -0.96 6.45 -5.25 -1.26 -1.31 121.20 116.46 2k3x s ILE 41 Ca 0.12 -1.19 0.25 0.00 -0.99 0.00 0.00 60.65 58.84 2k3x s ILE 41 Cb -0.04 -1.14 0.22 0.00 2.95 0.00 0.00 42.46 44.45 2k3x s ILE 41 CO 0.05 -0.06 1.81 -0.81 -1.79 0.00 0.00 174.94 174.13 2k3x n PRO 42 N 1.58 0.03 0.00 0.37 -0.04 -1.17 -3.84 135.00 131.92 2k3x n PRO 42 Ca -0.19 0.09 0.05 0.00 -0.04 0.00 0.00 63.50 63.41 2k3x n PRO 42 Cb 0.54 -1.53 0.26 0.00 -0.04 0.00 0.00 33.50 32.73 2k3x n PRO 42 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2k3x n ASN 43 N -1.58 0.00 -4.33 3.54 2.85 -1.26 -4.20 115.26 110.28 2k3x n ASN 43 Ca 0.06 0.20 -0.17 0.00 -0.11 0.00 0.00 54.58 54.56 2k3x n ASN 43 Cb 0.31 -0.32 -0.10 0.00 1.24 0.00 0.00 39.78 40.90 2k3x n ASN 43 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2k3x s ASP 44 N -2.65 1.77 -0.00 1.20 2.15 -1.25 -5.08 116.67 112.82 2k3x s ASP 44 Ca 0.09 -1.23 0.08 0.00 0.43 0.00 0.00 52.55 51.92 2k3x s ASP 44 Cb 0.07 0.02 -0.02 0.00 -0.30 0.00 0.00 42.92 42.69 2k3x s ASP 44 CO 0.17 -0.53 -0.23 -0.54 -0.17 0.00 0.00 175.17 173.87 2k3x s LYS 45 N -3.87 2.09 0.20 4.34 1.02 -1.26 -2.48 119.74 119.77 2k3x s LYS 45 Ca 0.29 -0.95 -0.13 0.00 0.02 0.00 0.00 55.97 55.20 2k3x s LYS 45 Cb 0.06 -2.09 0.22 0.00 -0.52 0.00 0.00 37.83 35.49 2k3x s LYS 45 CO 0.09 0.56 1.66 -1.35 -0.92 0.00 0.00 175.35 175.38 2k3x h PRO 46 N 5.17 0.06 0.00 -1.68 0.11 -1.79 -3.47 132.00 130.40 2k3x h PRO 46 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2k3x h PRO 46 Cb 1.13 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2k3x h PRO 46 CO 0.47 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.71 2k3x n GLY 47 N -1.36 0.81 1.30 -0.55 0.00 -1.26 -4.79 105.19 99.33 2k3x n GLY 47 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 0.86 3.07 -0.02 0.00 -1.26 -5.09 105.19 102.75 2k3x n GLY 48 Ca 0.00 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.68 0.28 0.48 1.61 0.01 -1.26 -5.07 113.70 108.07 2k3x s SER 49 Ca 0.24 -0.65 0.17 0.00 1.31 0.00 0.00 55.95 57.02 2k3x s SER 49 Cb 0.28 0.18 1.16 0.00 0.21 0.00 0.00 66.02 67.85 2k3x s SER 49 CO -0.12 -0.47 2.06 0.28 0.41 0.00 0.00 173.24 175.40 2k3x h SER 50 N 3.82 0.00 -0.65 2.44 0.02 -1.98 -3.41 113.55 113.79 2k3x h SER 50 Ca -0.33 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.63 2k3x h SER 50 Cb 1.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 2k3x h SER 50 CO 0.52 0.11 0.04 0.00 -1.14 0.00 0.00 176.83 176.36 2k3x n GLN 51 N -4.31 0.04 -4.13 3.45 10.64 -1.26 -4.85 117.38 116.96 2k3x n GLN 51 Ca -0.03 -0.08 -0.23 0.00 -1.83 0.00 0.00 57.00 54.83 2k3x n GLN 51 Cb 0.19 0.11 -0.06 0.00 -0.86 0.00 0.00 30.24 29.62 2k3x n GLN 51 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k3x s ALA 52 N -1.06 3.45 0.71 2.61 0.00 -1.03 -4.45 121.76 121.99 2k3x s ALA 52 Ca 0.01 -1.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.04 2k3x s ALA 52 Cb -0.00 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.37 2k3x s ALA 52 CO 0.00 0.08 1.23 2.41 0.00 0.00 0.00 175.76 179.49 2k3x n THR 53 N -1.11 3.73 -1.26 0.00 -1.04 -1.26 -4.26 114.28 109.08 2k3x n THR 53 Ca -0.04 -0.38 -0.36 0.00 -2.04 0.00 0.00 64.05 61.23 2k3x n THR 53 Cb 0.61 -1.35 0.07 0.00 -1.82 0.00 0.00 70.33 67.84 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 -2.39 0.31 -0.43 -2.82 5.02 -1.26 -3.05 118.16 113.54 2k3x n LYS 54 Ca 0.15 0.15 -0.10 0.00 -2.02 0.00 0.00 58.31 56.49 2k3x n LYS 54 Cb 0.49 -1.89 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 2k3x n LYS 54 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2k3x n GLU 55 N -0.96 0.00 -2.24 1.97 1.02 -1.26 -4.69 120.64 114.48 2k3x n GLU 55 Ca 0.10 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 2k3x n GLU 55 Cb 0.50 -0.37 -0.03 0.00 -0.02 0.00 0.00 31.44 31.52 2k3x n GLU 55 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2k3x s ILE 56 N 1.61 3.83 0.39 -3.67 1.01 -0.43 -4.96 121.20 118.99 2k3x s ILE 56 Ca 0.38 1.14 -0.25 0.00 0.00 0.00 0.00 60.65 61.93 2k3x s ILE 56 Cb -0.32 -3.74 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 2k3x s ILE 56 CO 0.15 -0.03 1.12 -0.54 0.00 0.00 0.00 174.94 175.63 2k3x s LYS 57 N 2.83 4.13 0.12 2.79 3.01 -1.26 -3.81 119.74 127.55 2k3x s LYS 57 Ca 0.63 1.71 -0.35 0.00 -1.01 0.00 0.00 55.97 56.95 2k3x s LYS 57 Cb -0.30 -2.66 -0.15 0.00 -1.01 0.00 0.00 37.83 33.72 2k3x s LYS 57 CO 0.25 -0.22 1.51 -2.30 0.51 0.00 0.00 175.35 175.10 2k3x n PRO 58 N 0.10 1.82 -3.84 -1.68 -0.02 -1.23 -4.80 135.00 125.35 2k3x n PRO 58 Ca 0.04 0.66 -0.11 0.00 -2.02 0.00 0.00 63.50 62.07 2k3x n PRO 58 Cb 0.48 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.48 2k3x n PRO 58 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2k3x s GLN 59 N 0.91 0.68 0.56 -0.52 2.00 -1.26 -4.97 119.66 117.06 2k3x s GLN 59 Ca 0.81 -0.61 -0.18 0.00 -2.00 0.00 0.00 55.36 53.38 2k3x s GLN 59 Cb -0.77 0.28 -0.09 0.00 0.80 0.00 0.00 33.01 33.24 2k3x s GLN 59 CO 0.41 -0.19 0.56 1.63 -0.50 0.00 0.00 175.29 177.20 2k3x n LYS 60 N 0.74 0.55 -3.50 1.67 5.02 -1.26 -4.14 118.16 117.23 2k3x n LYS 60 Ca -0.19 0.21 -0.17 0.00 -2.02 0.00 0.00 58.31 56.14 2k3x n LYS 60 Cb 0.59 -1.72 -0.04 0.00 -0.02 0.00 0.00 35.03 33.83 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 0.45 0.00 0.00 -0.35 -0.00 -1.26 -4.96 117.00 110.88 2k3x n LEU 61 Ca 0.12 -1.86 0.00 0.00 -0.00 0.00 0.00 56.01 54.27 2k3x n LEU 61 Cb 0.47 0.39 0.00 0.00 -0.00 0.00 0.00 43.42 44.28 2k3x n LEU 61 CO 0.51 -0.27 0.00 0.61 -0.00 0.00 0.00 177.39 178.24 2k3x n GLY 62 N 1.00 1.67 0.19 1.47 0.00 -1.26 -4.97 105.19 103.28 2k3x n GLY 62 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 2k3x n GLY 62 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2k3x h GLU 63 N 0.00 0.15 0.00 1.61 4.11 -2.02 -3.43 114.58 114.99 2k3x h GLU 63 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2k3x h GLU 63 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k3x h GLU 63 CO 0.00 0.56 0.00 -3.47 0.07 0.00 0.00 179.01 176.17 2k3x n ASP 64 N -4.01 0.00 0.00 3.06 2.03 -1.26 -5.02 116.55 111.35 2k3x n ASP 64 Ca -0.02 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.60 2k3x n ASP 64 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2k3x n ASP 64 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k3x n GLU 65 N 0.00 0.53 -1.15 -0.67 0.00 -1.26 -5.09 120.64 113.00 2k3x n GLU 65 Ca 0.00 -0.67 -0.48 0.00 0.00 0.00 0.00 57.16 56.00 2k3x n GLU 65 Cb 0.17 -0.79 -0.08 0.00 0.00 0.00 0.00 31.44 30.74 2k3x n GLU 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2k3x n SER 66 N -0.14 0.75 -4.76 -1.84 7.64 -1.26 -4.81 113.62 109.20 2k3x n SER 66 Ca 0.00 0.72 -0.41 0.00 1.01 0.00 0.00 58.87 60.19 2k3x n SER 66 Cb 0.22 -0.67 -0.02 0.00 -1.01 0.00 0.00 64.21 62.73 2k3x n SER 66 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2k3x s ILE 67 N 3.28 2.82 0.39 0.44 -0.00 -1.26 -4.99 121.20 121.89 2k3x s ILE 67 Ca 0.84 0.80 -0.27 0.00 -0.00 0.00 0.00 60.65 62.02 2k3x s ILE 67 Cb -1.13 -3.51 -0.09 0.00 -0.00 0.00 0.00 42.46 37.73 2k3x s ILE 67 CO 0.56 0.18 1.36 -2.84 -0.00 0.00 0.00 174.94 174.20 2k3x s PRO 68 N -1.46 4.02 0.57 0.37 0.02 -1.26 -4.91 135.00 132.34 2k3x s PRO 68 Ca 0.50 2.29 0.27 0.00 0.02 0.00 0.00 61.00 64.08 2k3x s PRO 68 Cb -0.39 -2.84 1.51 0.00 0.02 0.00 0.00 34.50 32.81 2k3x s PRO 68 CO 0.50 -0.50 2.03 0.93 -0.33 0.00 0.00 177.00 179.62 2k3x h GLU 69 N 2.81 0.00 -0.98 5.54 3.07 -1.99 -2.23 114.58 120.80 2k3x h GLU 69 Ca -0.50 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.48 2k3x h GLU 69 Cb 1.24 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.08 2k3x h GLU 69 CO 0.63 0.00 0.62 0.93 -1.40 0.00 0.00 179.01 179.79 2k3x h GLU 70 N 0.00 0.94 0.00 2.33 4.39 -2.03 -3.01 114.58 117.19 2k3x h GLU 70 Ca 0.16 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2k3x h GLU 70 Cb 0.78 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2k3x h GLU 70 CO -0.00 0.62 -1.57 0.44 -1.16 0.00 0.00 179.01 177.34 2k3x n ILE 71 N -4.59 0.00 0.16 3.13 -5.35 -0.86 -4.66 119.36 107.19 2k3x n ILE 71 Ca 0.18 -0.33 0.13 0.00 -0.27 0.00 0.00 62.75 62.46 2k3x n ILE 71 Cb 0.34 0.29 0.67 0.00 -1.74 0.00 0.00 39.64 39.20 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 0.88 -0.10 7.28 2.04 -1.36 -0.59 117.51 125.66 2k3x h ILE 72 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2k3x h ILE 72 Cb 0.69 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2k3x h ILE 72 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 178.15 177.69 2k3x n ASN 73 N -4.46 0.71 -4.44 1.72 0.23 -1.26 -4.22 115.26 103.54 2k3x n ASN 73 Ca 0.02 -1.78 -0.21 0.00 -0.53 0.00 0.00 54.58 52.08 2k3x n ASN 73 Cb 0.29 -0.07 -0.11 0.00 -2.08 0.00 0.00 39.78 37.82 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 -1.28 2.03 0.45 4.83 0.00 -0.23 -4.89 107.32 108.24 2k3x s GLY 74 Ca 0.19 -2.04 -0.25 0.00 0.00 0.00 0.00 44.72 42.62 2k3x s GLY 74 CO 0.15 -1.81 1.43 0.54 0.00 0.00 0.00 173.10 173.41 2k3x s LYS 75 N -3.88 3.66 0.11 2.90 1.02 -1.26 -4.34 119.74 117.95 2k3x s LYS 75 Ca 0.36 2.43 0.10 0.00 0.02 0.00 0.00 55.97 58.88 2k3x s LYS 75 Cb 0.08 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 2k3x s LYS 75 CO 0.15 -0.84 -0.25 0.00 -0.92 0.00 0.00 175.35 173.49 2k3x s PHE 77 N -1.03 1.77 -0.23 0.00 0.08 -0.23 -0.76 117.98 117.58 2k3x s PHE 77 Ca 0.14 -1.78 -0.29 0.00 0.12 0.00 0.00 56.93 55.13 2k3x s PHE 77 Cb -0.10 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 2k3x s PHE 77 CO 0.06 -0.88 1.79 0.12 -0.10 0.00 0.00 175.22 176.21 2k3x s PHE 78 N 1.58 1.81 0.03 0.36 5.36 0.61 -1.58 117.98 126.15 2k3x s PHE 78 Ca 0.10 0.47 0.07 0.00 -0.96 0.00 0.00 56.93 56.61 2k3x s PHE 78 Cb -0.17 -4.04 -0.02 0.00 -0.34 0.00 0.00 43.02 38.44 2k3x s PHE 78 CO -0.25 -3.36 -0.20 0.96 -1.46 0.00 0.00 175.22 170.91 2k3x s ILE 79 N 6.05 1.64 -0.30 3.12 -4.36 -0.22 -1.28 121.20 125.85 2k3x s ILE 79 Ca 0.80 -1.14 -0.29 0.00 -0.26 0.00 0.00 60.65 59.75 2k3x s ILE 79 Cb -0.27 -1.42 0.01 0.00 1.25 0.00 0.00 42.46 42.03 2k3x s ILE 79 CO 0.33 0.24 1.10 -2.28 0.24 0.00 0.00 174.94 174.56 2k3x s HIS 80 N -0.75 3.12 -0.71 1.37 5.65 -0.58 -1.98 115.29 121.41 2k3x s HIS 80 Ca 0.07 1.20 -0.26 0.00 0.25 0.00 0.00 55.06 56.32 2k3x s HIS 80 Cb -0.09 -3.64 0.00 0.00 -1.18 0.00 0.00 32.58 27.68 2k3x s HIS 80 CO 0.01 -0.86 1.61 0.71 -0.65 0.00 0.00 174.74 175.56 2k3x s TYR 81 N 3.65 1.97 0.58 3.88 2.02 -1.00 -1.53 117.35 126.91 2k3x s TYR 81 Ca 0.47 0.34 -0.09 0.00 -0.37 0.00 0.00 57.07 57.42 2k3x s TYR 81 Cb -0.13 -4.34 -0.04 0.00 -0.40 0.00 0.00 41.96 37.05 2k3x s TYR 81 CO 0.15 -2.16 0.95 -0.65 -1.57 0.00 0.00 175.55 172.27 2k3x s GLN 82 N 6.39 3.57 0.00 -0.62 -0.21 -0.17 -3.60 119.66 125.03 2k3x s GLN 82 Ca 0.53 0.57 0.00 0.00 0.02 0.00 0.00 55.36 56.48 2k3x s GLN 82 Cb -0.10 -2.18 0.00 0.00 1.00 0.00 0.00 33.01 31.74 2k3x s GLN 82 CO 0.15 -0.46 0.00 0.41 -2.12 0.00 0.00 175.29 173.28 2k3x n GLY 83 N -2.59 0.80 3.33 3.09 0.00 -1.26 -3.87 105.19 104.68 2k3x n GLY 83 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.28 1.61 0.27 1.61 0.52 -1.24 -5.10 118.94 113.33 2k3x s TRP 84 Ca 0.00 -1.41 -0.30 0.00 0.02 0.00 0.00 56.10 54.40 2k3x s TRP 84 Cb 0.00 -0.83 -0.13 0.00 -1.15 0.00 0.00 33.47 31.36 2k3x s TRP 84 CO 0.00 -0.57 1.46 1.63 0.02 0.00 0.00 176.95 179.49 2k3x n LYS 85 N -0.59 2.28 0.32 4.98 4.76 -1.26 -4.87 118.16 123.79 2k3x n LYS 85 Ca 0.02 0.81 0.20 0.00 -2.87 0.00 0.00 58.31 56.47 2k3x n LYS 85 Cb 0.65 -2.50 1.08 0.00 -1.84 0.00 0.00 35.03 32.42 2k3x n LYS 85 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2k3x h SER 86 N 4.18 0.00 0.01 4.39 0.02 -2.00 -0.94 113.55 119.21 2k3x h SER 86 Ca -0.46 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2k3x h SER 86 Cb 1.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 2k3x h SER 86 CO 0.75 0.00 -0.00 0.28 -1.14 0.00 0.00 176.83 176.72 2k3x h SER 87 N 0.00 0.00 0.00 3.07 0.02 -1.96 -3.25 113.55 111.43 2k3x h SER 87 Ca 0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2k3x h SER 87 Cb 0.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2k3x h SER 87 CO -0.00 0.00 -0.07 0.79 -1.14 0.00 0.00 176.83 176.41 2k3x n TRP 88 N -3.62 0.00 -2.60 3.45 7.02 -0.36 -4.79 117.44 116.54 2k3x n TRP 88 Ca -0.03 -0.99 -0.41 0.00 -1.02 0.00 0.00 57.50 55.05 2k3x n TRP 88 Cb 0.08 -0.72 -0.03 0.00 -2.42 0.00 0.00 31.31 28.22 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 2.03 6.16 0.02 -0.99 1.01 -1.23 -2.37 116.67 121.30 2k3x s ASP 89 Ca 0.15 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 52.87 2k3x s ASP 89 Cb 0.07 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 2k3x s ASP 89 CO 0.00 -1.77 -0.03 -0.70 0.21 0.00 0.00 175.17 172.88 2k3x s GLU 90 N 5.44 0.28 0.50 8.23 2.56 -0.84 -4.91 118.70 129.96 2k3x s GLU 90 Ca 0.33 -0.54 -0.14 0.00 0.00 0.00 0.00 54.97 54.62 2k3x s GLU 90 Cb -0.10 0.09 -0.07 0.00 2.00 0.00 0.00 34.13 36.06 2k3x s GLU 90 CO 0.14 -0.04 0.93 -1.58 -0.56 0.00 0.00 175.26 174.15 2k3x s TRP 91 N -1.28 3.49 0.10 5.30 0.52 -1.26 -1.05 118.94 124.76 2k3x s TRP 91 Ca -0.14 1.31 0.03 0.00 0.02 0.00 0.00 56.10 57.31 2k3x s TRP 91 Cb -0.09 -2.67 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 2k3x s TRP 91 CO -0.01 -0.35 -0.08 0.14 0.02 0.00 0.00 176.95 176.67 2k3x s VAL 92 N -2.65 0.83 0.61 4.03 -7.23 -0.62 -4.91 120.40 110.46 2k3x s VAL 92 Ca 0.56 -1.85 -0.02 0.00 -1.81 0.00 0.00 61.98 58.87 2k3x s VAL 92 Cb -0.10 -1.58 0.05 0.00 0.56 0.00 0.00 36.38 35.30 2k3x s VAL 92 CO 0.35 -0.75 0.87 -0.83 -0.31 0.00 0.00 175.10 174.43 2k3x s GLY 93 N -2.85 1.78 0.60 2.32 0.00 -1.26 -1.06 107.32 106.84 2k3x s GLY 93 Ca 0.10 -1.20 0.37 0.00 0.00 0.00 0.00 44.72 43.99 2k3x s GLY 93 CO -0.02 -0.86 2.21 -1.82 0.00 0.00 0.00 173.10 172.60 2k3x h TYR 94 N -0.19 0.00 -0.02 1.90 5.03 -1.80 -0.36 116.97 121.53 2k3x h TYR 94 Ca -0.43 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.89 2k3x h TYR 94 Cb 1.30 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.58 2k3x h TYR 94 CO 0.33 0.03 0.15 0.22 -1.32 0.00 0.00 178.16 177.56 2k3x h ASP 95 N 0.00 0.00 0.00 -2.11 3.58 -1.94 -3.19 116.42 112.76 2k3x h ASP 95 Ca -0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 2k3x h ASP 95 Cb 0.20 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 2k3x h ASP 95 CO 0.00 0.00 -1.12 0.54 -2.88 0.00 0.00 179.24 175.78 2k3x n ARG 96 N -3.08 1.40 -4.15 0.28 5.12 -0.25 -4.96 116.66 111.01 2k3x n ARG 96 Ca -0.02 0.01 -0.26 0.00 -1.93 0.00 0.00 57.85 55.65 2k3x n ARG 96 Cb 0.21 -1.04 -0.06 0.00 -1.16 0.00 0.00 32.46 30.40 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 -2.04 4.10 0.06 0.55 2.07 -0.56 -0.95 121.20 124.42 2k3x s ILE 97 Ca -0.02 -1.32 -0.06 0.00 -1.41 0.00 0.00 60.65 57.84 2k3x s ILE 97 Cb 0.01 -3.10 -0.01 0.00 0.13 0.00 0.00 42.46 39.48 2k3x s ILE 97 CO 0.06 -0.16 0.11 -0.13 -1.91 0.00 0.00 174.94 172.91 2k3x s ARG 98 N -3.16 0.69 0.79 3.50 0.52 -0.49 -4.56 118.95 116.23 2k3x s ARG 98 Ca 0.30 -0.93 -0.12 0.00 -0.52 0.00 0.00 55.73 54.46 2k3x s ARG 98 Cb -0.09 0.27 0.06 0.00 0.52 0.00 0.00 34.95 35.71 2k3x s ARG 98 CO 0.21 -0.18 1.11 0.00 0.02 0.00 0.00 175.30 176.46 2k3x s ALA 99 N -3.37 2.38 -0.33 2.13 0.00 -1.25 -0.87 121.76 120.45 2k3x s ALA 99 Ca 0.01 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 2k3x s ALA 99 Cb 0.03 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 2k3x s ALA 99 CO -0.08 -1.64 1.64 -0.47 0.00 0.00 0.00 175.76 175.21 2k3x s TYR 100 N -3.25 2.05 0.26 0.00 5.04 0.77 -4.65 117.35 117.58 2k3x s TYR 100 Ca 0.61 0.63 -0.22 0.00 -2.44 0.00 0.00 57.07 55.65 2k3x s TYR 100 Cb -0.13 -4.16 0.03 0.00 0.35 0.00 0.00 41.96 38.04 2k3x s TYR 100 CO 0.53 -2.64 0.75 0.54 -1.34 0.00 0.00 175.55 173.39 2k3x s ASN 101 N 5.06 -0.26 0.39 4.32 2.20 -1.26 -4.54 114.94 120.85 2k3x s ASN 101 Ca 0.72 -0.56 0.08 0.00 -0.94 0.00 0.00 52.86 52.16 2k3x s ASN 101 Cb -0.20 0.70 0.84 0.00 -2.00 0.00 0.00 41.25 40.58 2k3x s ASN 101 CO 0.33 -1.28 2.01 -0.33 -2.94 0.00 0.00 177.10 174.88 2k3x h GLU 102 N 2.00 0.60 -0.35 3.55 5.08 -1.96 0.08 114.58 123.58 2k3x h GLU 102 Ca -0.20 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 2k3x h GLU 102 Cb 1.25 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2k3x h GLU 102 CO 0.24 0.40 -0.10 1.49 -1.00 0.00 0.00 179.01 180.03 2k3x h GLU 103 N 0.62 0.60 0.00 2.33 4.81 -1.97 0.35 114.58 121.31 2k3x h GLU 103 Ca 0.23 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 2k3x h GLU 103 Cb 0.15 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 2k3x h GLU 103 CO -0.06 0.70 -0.24 -0.91 -0.73 0.00 0.00 179.01 177.77 2k3x h ASN 104 N 0.55 0.00 0.93 1.04 2.35 -1.34 -1.54 115.58 117.57 2k3x h ASN 104 Ca 0.10 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.63 2k3x h ASN 104 Cb 0.51 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 2k3x h ASN 104 CO 0.03 0.09 -1.11 0.40 -1.65 0.00 0.00 177.43 175.19 2k3x h ILE 105 N 0.00 1.50 -0.18 2.81 5.03 -0.92 0.12 117.51 125.86 2k3x h ILE 105 Ca -0.00 -3.22 -0.06 0.00 -0.12 0.00 0.00 64.86 61.46 2k3x h ILE 105 Cb 1.07 2.74 -0.00 0.00 -3.03 0.00 0.00 36.82 37.60 2k3x h ILE 105 CO 0.01 0.86 -0.12 0.00 -0.68 0.00 0.00 178.15 178.22 2k3x h ALA 106 N 1.03 0.26 -0.67 1.87 0.00 -0.82 -0.14 119.26 120.79 2k3x h ALA 106 Ca -0.06 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2k3x h ALA 106 Cb 1.79 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 2k3x h ALA 106 CO 0.12 0.12 0.23 0.00 0.00 0.00 0.00 179.25 179.72 2k3x h MET 107 N 0.08 1.03 0.37 0.00 -0.00 -1.32 -1.52 114.93 113.58 2k3x h MET 107 Ca 0.04 -0.21 -0.01 0.00 -0.00 0.00 0.00 59.70 59.52 2k3x h MET 107 Cb 0.62 -0.16 -0.02 0.00 -0.00 0.00 0.00 31.60 32.04 2k3x h MET 107 CO 0.03 0.88 -0.46 -0.22 -0.00 0.00 0.00 176.91 177.15 2k3x h LYS 108 N 0.97 -0.82 -0.27 -0.10 1.63 -0.65 -1.46 116.57 115.87 2k3x h LYS 108 Ca 0.22 0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 60.01 2k3x h LYS 108 Cb 0.26 0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 2k3x h LYS 108 CO -0.01 -0.55 -0.13 1.57 -3.45 0.00 0.00 179.45 176.88 2k3x h LYS 109 N -0.85 0.46 -0.07 1.90 2.10 -0.89 0.15 116.57 119.38 2k3x h LYS 109 Ca -0.05 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.48 2k3x h LYS 109 Cb 0.76 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.03 2k3x h LYS 109 CO -0.10 0.59 0.03 -0.09 -2.00 0.00 0.00 179.45 177.88 2k3x h ARG 110 N 0.42 0.07 -0.66 0.07 1.12 -1.16 -2.62 114.38 111.62 2k3x h ARG 110 Ca 0.08 -0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.86 2k3x h ARG 110 Cb 0.49 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.40 2k3x h ARG 110 CO 0.03 0.05 0.09 -0.07 -3.11 0.00 0.00 179.97 176.96 2k3x h LEU 111 N 0.07 1.06 -0.59 3.80 3.38 -0.44 -2.53 115.31 120.07 2k3x h LEU 111 Ca 0.03 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.73 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 -0.02 1.06 0.00 0.00 0.09 0.00 0.00 178.44 179.57 2k3x n ALA 112 N -2.47 1.22 0.13 1.53 0.00 0.45 -0.22 120.51 121.15 2k3x n ALA 112 Ca 0.04 0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.58 2k3x n ALA 112 Cb 0.30 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 18.57 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 0.24 0.00 2.35 -1.08 -3.28 115.58 113.81 2k3x h ASN 113 Ca 0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 2k3x h ASN 113 Cb 0.09 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.48 2k3x h ASN 113 CO 0.00 0.48 -1.05 0.25 -1.65 0.00 0.00 177.43 175.46 2k3x h LEU 114 N 0.00 0.68 0.00 1.61 7.12 -0.67 -3.52 115.31 120.52 2k3x h LEU 114 Ca -0.02 -0.58 0.00 0.00 0.13 0.00 0.00 57.88 57.41 2k3x h LEU 114 Cb 1.39 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 2k3x h LEU 114 CO 0.06 1.39 0.00 1.21 -0.13 0.00 0.00 178.44 180.97