#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3b n PHE 18 N 0.00 2.84 -3.62 4.31 3.72 -1.26 -0.31 117.46 123.14 1u3b n PHE 18 Ca 0.00 0.42 -0.04 0.00 -0.05 0.00 0.00 57.45 57.78 1u3b n PHE 18 Cb 0.00 -2.53 -0.06 0.00 -0.94 0.00 0.00 39.48 35.95 1u3b n PHE 18 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 1u3b s LYS 19 N -1.67 0.58 0.11 -1.08 0.00 0.18 -4.85 119.74 113.01 1u3b s LYS 19 Ca 0.56 1.13 -0.31 0.00 0.00 0.00 0.00 55.97 57.36 1u3b s LYS 19 Cb -0.50 0.32 -0.08 0.00 0.00 0.00 0.00 37.83 37.57 1u3b s LYS 19 CO 0.60 -0.14 1.37 0.34 0.00 0.00 0.00 175.35 177.51 1u3b s ASP 20 N 1.93 6.85 -0.38 0.03 -1.08 -1.26 -1.98 116.67 120.78 1u3b s ASP 20 Ca -0.08 2.29 -0.04 0.00 -0.52 0.00 0.00 52.55 54.19 1u3b s ASP 20 Cb -0.06 -2.59 0.09 0.00 -1.46 0.00 0.00 42.92 38.90 1u3b s ASP 20 CO -0.19 -0.63 0.17 -0.69 0.52 0.00 0.00 175.17 174.35 1u3b s VAL 21 N 1.09 3.46 -0.48 1.11 1.01 0.28 -4.95 120.40 121.93 1u3b s VAL 21 Ca 0.64 -1.71 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 1u3b s VAL 21 Cb -0.36 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 32.89 1u3b s VAL 21 CO 0.30 -0.50 0.44 0.12 0.00 0.00 0.00 175.10 175.46 1u3b s PHE 22 N 1.24 3.22 -0.50 5.22 5.36 -1.26 -1.00 117.98 130.27 1u3b s PHE 22 Ca 0.04 -0.91 -0.10 0.00 -0.96 0.00 0.00 56.93 54.99 1u3b s PHE 22 Cb -0.22 -3.28 0.13 0.00 -0.34 0.00 0.00 43.02 39.30 1u3b s PHE 22 CO -0.02 -0.85 0.39 0.42 -1.46 0.00 0.00 175.22 173.70 1u3b s ILE 23 N 1.77 4.38 -0.37 3.12 -1.09 0.16 -4.93 121.20 124.24 1u3b s ILE 23 Ca 0.05 -1.82 -0.28 0.00 -2.23 0.00 0.00 60.65 56.37 1u3b s ILE 23 Cb -0.24 -3.86 0.02 0.00 -1.58 0.00 0.00 42.46 36.79 1u3b s ILE 23 CO 0.07 -0.80 1.02 -1.61 -1.23 0.00 0.00 174.94 172.39 1u3b s GLU 24 N 1.29 3.92 0.06 2.79 8.01 -1.26 -0.48 118.70 133.02 1u3b s GLU 24 Ca 0.06 0.78 0.01 0.00 0.01 0.00 0.00 54.97 55.83 1u3b s GLU 24 Cb -0.26 -3.79 -0.00 0.00 -4.31 0.00 0.00 34.13 25.77 1u3b s GLU 24 CO -0.01 -1.00 0.06 0.36 0.01 0.00 0.00 175.26 174.69 1u3b n LYS 25 N 6.98 0.09 -3.58 1.61 2.85 -0.61 -4.99 118.16 120.51 1u3b n LYS 25 Ca 0.10 -0.52 -0.20 0.00 -1.05 0.00 0.00 58.31 56.64 1u3b n LYS 25 Cb 0.48 0.45 -0.02 0.00 -0.65 0.00 0.00 35.03 35.29 1u3b n LYS 25 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1u3b s GLN 26 N -2.19 2.76 0.53 -1.58 1.11 -1.26 -4.12 119.66 114.91 1u3b s GLN 26 Ca 0.06 -1.30 -0.20 0.00 0.01 0.00 0.00 55.36 53.93 1u3b s GLN 26 Cb 0.00 -2.55 -0.06 0.00 -1.01 0.00 0.00 33.01 29.40 1u3b s GLN 26 CO 0.04 -0.03 1.18 0.15 0.01 0.00 0.00 175.29 176.64 1u3b s LYS 27 N -4.11 3.35 -0.00 2.91 1.02 -1.19 -2.90 119.74 118.82 1u3b s LYS 27 Ca 0.45 1.78 0.00 0.00 0.02 0.00 0.00 55.97 58.22 1u3b s LYS 27 Cb -0.06 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1u3b s LYS 27 CO 0.29 -0.89 0.00 0.41 -0.92 0.00 0.00 175.35 174.23 1u3b n GLY 28 N 0.39 0.47 0.69 -3.33 0.00 -0.69 -4.89 105.19 97.84 1u3b n GLY 28 Ca 0.11 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1u3b n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u3b n GLU 29 N -2.80 1.63 0.00 1.61 1.02 -1.14 -5.00 120.64 115.96 1u3b n GLU 29 Ca -0.00 -3.30 0.00 0.00 -0.02 0.00 0.00 57.16 53.84 1u3b n GLU 29 Cb 0.03 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 1u3b n GLU 29 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1u3b n ILE 30 N -1.12 0.00 0.00 -3.67 -5.35 -1.18 -4.34 119.36 103.70 1u3b n ILE 30 Ca 0.21 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.69 1u3b n ILE 30 Cb 0.74 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 1u3b n ILE 30 CO 0.00 0.00 0.00 -0.11 -1.76 0.00 0.00 176.55 174.68 1u3b n LEU 31 N 0.00 0.00 -0.80 7.28 7.94 -1.21 -4.78 117.00 125.44 1u3b n LEU 31 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1u3b n LEU 31 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1u3b n LEU 31 CO 0.00 -0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 1u3b n GLY 32 N -0.68 0.85 3.24 -3.96 0.00 0.84 -0.98 105.19 104.50 1u3b n GLY 32 Ca 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 1u3b n GLY 32 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u3b s VAL 33 N -2.49 0.09 -0.15 1.61 -7.23 -0.93 -0.83 120.40 110.48 1u3b s VAL 33 Ca 0.00 -0.77 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1u3b s VAL 33 Cb 0.00 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 35.94 1u3b s VAL 33 CO 0.00 -0.42 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.50 1u3b s VAL 34 N -2.82 2.49 0.13 1.32 1.01 0.15 0.08 120.40 122.75 1u3b s VAL 34 Ca -0.03 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1u3b s VAL 34 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1u3b s VAL 34 CO -0.05 0.53 -0.13 0.27 0.00 0.00 0.00 175.10 175.72 1u3b s ILE 35 N 0.76 3.13 0.21 2.22 -4.36 -1.26 -0.53 121.20 121.37 1u3b s ILE 35 Ca -0.07 -1.44 -0.01 0.00 -0.26 0.00 0.00 60.65 58.87 1u3b s ILE 35 Cb -0.16 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 41.04 1u3b s ILE 35 CO 0.00 0.06 0.12 0.68 0.24 0.00 0.00 174.94 176.05 1u3b s VAL 36 N -1.30 0.06 0.16 8.37 -7.23 0.26 -4.86 120.40 115.87 1u3b s VAL 36 Ca 0.21 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.07 1u3b s VAL 36 Cb -0.10 -2.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.24 1u3b s VAL 36 CO 0.13 -0.01 1.44 -1.61 -0.31 0.00 0.00 175.10 174.74 1u3b s GLU 37 N -4.14 4.29 -1.01 4.82 2.02 -1.26 0.19 118.70 123.60 1u3b s GLU 37 Ca 0.39 2.20 -0.24 0.00 0.02 0.00 0.00 54.97 57.33 1u3b s GLU 37 Cb 0.07 -3.19 -0.08 0.00 0.10 0.00 0.00 34.13 31.03 1u3b s GLU 37 CO 0.12 -0.46 1.99 -1.54 0.02 0.00 0.00 175.26 175.39 1u3b s SER 38 N 0.89 4.88 0.00 -0.19 1.04 -0.70 -4.70 113.70 114.92 1u3b s SER 38 Ca 0.64 -1.02 0.28 0.00 0.48 0.00 0.00 55.95 56.34 1u3b s SER 38 Cb -0.40 -2.57 1.46 0.00 0.10 0.00 0.00 66.02 64.61 1u3b s SER 38 CO 0.34 -3.10 1.96 0.61 0.98 0.00 0.00 173.24 174.03 1u3b n GLY 39 N 6.40 -0.61 0.00 7.32 0.00 -1.26 -4.61 105.19 112.43 1u3b n GLY 39 Ca 0.43 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1u3b n GLY 39 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1u3b n TRP 40 N -0.53 -0.88 0.24 1.61 4.27 -1.26 -4.74 117.44 116.14 1u3b n TRP 40 Ca 0.20 0.00 0.18 0.00 -3.89 0.00 0.00 57.50 53.99 1u3b n TRP 40 Cb 0.19 0.00 0.82 0.00 -1.36 0.00 0.00 31.31 30.96 1u3b n TRP 40 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 1u3b h GLY 41 N 0.00 0.00 -1.23 -1.67 0.00 -2.02 -3.45 103.07 94.69 1u3b h GLY 41 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u3b h GLY 41 CO 0.00 0.00 -0.00 1.44 0.00 0.00 0.00 176.54 177.98 1u3b n SER 42 N -3.32 -2.01 -0.29 0.19 7.64 -1.26 -4.96 113.62 109.61 1u3b n SER 42 Ca 0.02 -0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.92 1u3b n SER 42 Cb 0.43 -0.51 0.23 0.00 -1.01 0.00 0.00 64.21 63.35 1u3b n SER 42 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1u3b h ILE 43 N -0.01 1.10 -2.06 0.44 2.04 -1.94 -3.37 117.51 113.71 1u3b h ILE 43 Ca -0.00 -0.36 -0.32 0.00 1.00 0.00 0.00 64.86 65.18 1u3b h ILE 43 Cb 1.00 -0.04 -0.32 0.00 -0.74 0.00 0.00 36.82 36.72 1u3b h ILE 43 CO 0.00 0.19 -0.64 -0.76 0.00 0.00 0.00 178.15 176.95 1u3b s LEU 44 N -9.97 -0.27 -0.86 1.44 1.43 -1.26 -5.09 118.68 104.10 1u3b s LEU 44 Ca -0.11 -0.88 -0.20 0.00 -1.03 0.00 0.00 54.13 51.90 1u3b s LEU 44 Cb 0.19 0.58 -0.21 0.00 0.03 0.00 0.00 46.19 46.79 1u3b s LEU 44 CO 0.80 -0.36 2.33 -2.65 0.23 0.00 0.00 176.35 176.70 1u3b n PRO 45 N 5.11 0.37 0.00 1.29 -0.02 -1.26 -4.79 135.00 135.69 1u3b n PRO 45 Ca 0.01 -0.55 0.00 0.00 -2.02 0.00 0.00 63.50 60.94 1u3b n PRO 45 Cb 0.46 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 1u3b n PRO 45 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1u3b n THR 46 N 7.67 0.00 -4.59 3.45 -2.24 -1.26 -0.15 114.28 117.16 1u3b n THR 46 Ca 0.54 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.98 1u3b n THR 46 Cb 0.33 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.45 1u3b n THR 46 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1u3b s VAL 47 N 0.11 3.77 -0.13 2.28 -7.23 -1.24 -1.71 120.40 116.25 1u3b s VAL 47 Ca 0.00 -0.45 -0.09 0.00 -1.81 0.00 0.00 61.98 59.63 1u3b s VAL 47 Cb 0.00 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1u3b s VAL 47 CO 0.00 0.59 0.17 -0.63 -0.31 0.00 0.00 175.10 174.92 1u3b s ILE 48 N -0.74 5.44 -0.95 -0.62 1.01 0.13 -1.40 121.20 124.07 1u3b s ILE 48 Ca 0.11 0.28 -0.24 0.00 0.00 0.00 0.00 60.65 60.80 1u3b s ILE 48 Cb -0.11 -3.45 0.01 0.00 0.01 0.00 0.00 42.46 38.91 1u3b s ILE 48 CO 0.02 0.56 1.64 -0.63 0.00 0.00 0.00 174.94 176.53 1u3b s ILE 49 N -0.65 3.72 -0.68 2.92 1.01 0.59 -0.57 121.20 127.54 1u3b s ILE 49 Ca 0.14 -0.53 0.25 0.00 0.00 0.00 0.00 60.65 60.51 1u3b s ILE 49 Cb -0.12 -4.62 0.16 0.00 0.01 0.00 0.00 42.46 37.89 1u3b s ILE 49 CO 0.03 -1.53 1.53 0.00 0.00 0.00 0.00 174.94 174.97 1u3b n ALA 50 N 10.93 2.62 -3.52 9.38 0.00 0.31 -1.67 120.51 138.57 1u3b n ALA 50 Ca 0.34 -0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.54 1u3b n ALA 50 Cb 0.49 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1u3b n ALA 50 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1u3b s ASN 51 N -4.40 -0.34 -0.14 0.00 0.01 -0.97 -3.87 114.94 105.22 1u3b s ASN 51 Ca 0.08 -0.40 -0.18 0.00 -0.71 0.00 0.00 52.86 51.65 1u3b s ASN 51 Cb 0.13 0.64 0.05 0.00 0.41 0.00 0.00 41.25 42.47 1u3b s ASN 51 CO 0.66 -1.13 0.49 -0.32 -1.51 0.00 0.00 177.10 175.29 1u3b s MET 52 N -3.86 0.65 0.53 -0.60 -2.45 -1.26 0.33 119.30 112.63 1u3b s MET 52 Ca 0.08 0.50 0.22 0.00 -1.25 0.00 0.00 55.69 55.24 1u3b s MET 52 Cb -0.03 0.31 1.35 0.00 1.25 0.00 0.00 34.83 37.71 1u3b s MET 52 CO -0.02 -0.12 2.05 0.52 1.05 0.00 0.00 175.02 178.50 1u3b h MET 53 N 4.85 0.01 -5.60 4.11 2.86 -1.34 -3.47 114.93 116.36 1u3b h MET 53 Ca -0.28 -0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.07 1u3b h MET 53 Cb 1.17 -0.00 0.18 0.00 0.06 0.00 0.00 31.60 33.01 1u3b h MET 53 CO 0.25 0.00 -0.86 0.72 1.06 0.00 0.00 176.91 178.09 1u3b n HIS 54 N -4.43 -2.34 0.00 -0.22 8.25 -1.26 -4.69 115.22 110.53 1u3b n HIS 54 Ca 0.06 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.34 1u3b n HIS 54 Cb 0.44 -4.19 0.00 0.00 1.12 0.00 0.00 29.99 27.35 1u3b n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u3b n GLY 55 N -1.28 0.63 0.00 -1.41 0.00 -1.26 -5.00 105.19 96.87 1u3b n GLY 55 Ca -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1u3b n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3b n GLY 56 N 0.00 -1.81 0.29 -0.02 0.00 -1.26 -4.40 105.19 97.99 1u3b n GLY 56 Ca 0.00 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.65 1u3b n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u3b h PRO 57 N 0.00 0.00 0.01 1.61 0.11 -1.81 0.14 132.00 132.06 1u3b h PRO 57 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1u3b h PRO 57 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1u3b h PRO 57 CO 0.00 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 177.78 1u3b h ALA 58 N 1.94 -0.02 0.09 -0.75 0.00 -1.34 -2.06 119.26 117.13 1u3b h ALA 58 Ca 0.05 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.57 1u3b h ALA 58 Cb 0.20 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1u3b h ALA 58 CO -0.00 -0.39 -1.15 1.49 0.00 0.00 0.00 179.25 179.19 1u3b h GLU 59 N -0.24 0.43 -0.48 0.00 4.81 -1.74 -3.01 114.58 114.34 1u3b h GLU 59 Ca -0.00 -0.58 0.08 0.00 -0.13 0.00 0.00 59.36 58.72 1u3b h GLU 59 Cb 0.24 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 1u3b h GLU 59 CO 0.00 1.24 0.12 0.87 -0.73 0.00 0.00 179.01 180.51 1u3b h LYS 60 N 0.19 0.26 0.03 1.92 1.57 -0.74 -2.85 116.57 116.95 1u3b h LYS 60 Ca -0.14 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1u3b h LYS 60 Cb 1.83 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.08 1u3b h LYS 60 CO 0.20 0.17 -0.01 1.03 -0.57 0.00 0.00 179.45 180.28 1u3b h SER 61 N 0.27 -0.03 0.00 0.86 0.87 -1.47 -3.48 113.55 110.58 1u3b h SER 61 Ca 0.24 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1u3b h SER 61 Cb 0.29 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1u3b h SER 61 CO -0.29 0.42 0.00 0.61 -0.53 0.00 0.00 176.83 177.05 1u3b n GLY 62 N 0.12 0.15 0.17 5.77 0.00 -1.08 -4.95 105.19 105.38 1u3b n GLY 62 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1u3b n GLY 62 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u3b h LYS 63 N 4.26 0.57 -5.69 1.61 1.57 -1.89 -3.43 116.57 113.58 1u3b h LYS 63 Ca 0.00 -0.62 -0.60 0.00 -1.87 0.00 0.00 60.65 57.56 1u3b h LYS 63 Cb 0.00 0.18 -0.10 0.00 0.08 0.00 0.00 32.23 32.39 1u3b h LYS 63 CO 0.00 1.23 0.32 -0.51 -0.57 0.00 0.00 179.45 179.92 1u3b s LEU 64 N -8.20 4.09 0.07 2.94 1.43 -1.25 -5.01 118.68 112.75 1u3b s LEU 64 Ca -0.11 0.91 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 1u3b s LEU 64 Cb 0.05 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 1u3b s LEU 64 CO 0.88 -0.43 -0.05 0.20 0.23 0.00 0.00 176.35 177.18 1u3b s ASN 65 N 1.36 0.86 0.43 2.29 0.01 -1.26 -4.56 114.94 114.07 1u3b s ASN 65 Ca 0.31 -0.94 -0.25 0.00 -0.71 0.00 0.00 52.86 51.27 1u3b s ASN 65 Cb -0.15 0.12 -0.08 0.00 0.41 0.00 0.00 41.25 41.55 1u3b s ASN 65 CO 0.08 -0.48 1.31 -0.63 -1.51 0.00 0.00 177.10 175.88 1u3b s ILE 66 N -3.41 2.53 0.00 0.60 -1.09 -1.26 -3.24 121.20 115.33 1u3b s ILE 66 Ca 0.07 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 1u3b s ILE 66 Cb 0.04 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 1u3b s ILE 66 CO -0.06 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.32 1u3b n GLY 67 N 0.64 0.77 3.49 6.18 0.00 -0.67 -4.67 105.19 110.93 1u3b n GLY 67 Ca 0.05 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1u3b n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u3b s ASP 68 N -2.16 3.94 -0.19 1.61 1.01 -1.20 -3.40 116.67 116.27 1u3b s ASP 68 Ca 0.00 -0.43 -0.04 0.00 0.71 0.00 0.00 52.55 52.79 1u3b s ASP 68 Cb 0.00 -0.66 -0.02 0.00 1.01 0.00 0.00 42.92 43.25 1u3b s ASP 68 CO 0.00 0.23 -0.03 -1.10 0.21 0.00 0.00 175.17 174.49 1u3b s GLN 69 N -1.67 3.55 -0.29 8.23 -0.21 -0.93 -0.30 119.66 128.04 1u3b s GLN 69 Ca 0.16 -0.56 -0.25 0.00 0.02 0.00 0.00 55.36 54.73 1u3b s GLN 69 Cb -0.11 -3.00 0.00 0.00 1.00 0.00 0.00 33.01 30.90 1u3b s GLN 69 CO 0.07 0.01 0.87 0.42 -2.12 0.00 0.00 175.29 174.54 1u3b s ILE 70 N 0.98 4.74 -0.05 1.08 1.01 -0.50 -0.12 121.20 128.34 1u3b s ILE 70 Ca 0.01 1.45 -0.14 0.00 0.00 0.00 0.00 60.65 61.96 1u3b s ILE 70 Cb -0.14 -4.20 -0.31 0.00 0.01 0.00 0.00 42.46 37.82 1u3b s ILE 70 CO 0.01 -0.24 0.70 0.24 0.00 0.00 0.00 174.94 175.65 1u3b h MET 71 N 7.95 0.37 -2.85 2.79 2.86 -1.28 -3.29 114.93 121.48 1u3b h MET 71 Ca -0.23 -0.63 -0.11 0.00 -2.06 0.00 0.00 59.70 56.67 1u3b h MET 71 Cb 1.09 0.23 -0.20 0.00 0.06 0.00 0.00 31.60 32.78 1u3b h MET 71 CO 0.92 1.30 -0.21 -1.54 1.06 0.00 0.00 176.91 178.44 1u3b s SER 72 N -7.24 -0.29 -0.23 1.22 1.04 -1.08 0.88 113.70 108.01 1u3b s SER 72 Ca -0.16 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1u3b s SER 72 Cb 0.05 0.42 0.06 0.00 0.10 0.00 0.00 66.02 66.64 1u3b s SER 72 CO 0.84 -0.43 -0.04 -0.63 0.98 0.00 0.00 173.24 173.97 1u3b s ILE 73 N -1.09 1.36 -1.47 -1.02 1.09 0.24 -0.69 121.20 119.62 1u3b s ILE 73 Ca -0.11 -1.12 -0.12 0.00 -1.10 0.00 0.00 60.65 58.20 1u3b s ILE 73 Cb -0.04 -1.67 0.06 0.00 -1.06 0.00 0.00 42.46 39.75 1u3b s ILE 73 CO 0.05 -0.12 1.05 0.59 -0.10 0.00 0.00 174.94 176.40 1u3b n ASN 74 N 4.73 -5.23 0.00 3.58 3.02 0.99 -1.55 115.26 120.80 1u3b n ASN 74 Ca -0.11 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 1u3b n ASN 74 Cb 0.44 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 1u3b n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u3b n GLY 75 N -1.79 3.17 3.56 7.41 0.00 -1.26 -5.01 105.19 111.26 1u3b n GLY 75 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1u3b n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u3b s THR 76 N -2.69 3.79 -0.34 2.61 2.01 -0.60 -4.97 115.64 115.47 1u3b s THR 76 Ca 0.00 0.55 -0.29 0.00 0.31 0.00 0.00 61.69 62.27 1u3b s THR 76 Cb 0.00 -4.80 -0.01 0.00 0.01 0.00 0.00 72.50 67.70 1u3b s THR 76 CO 0.00 -1.64 1.61 -0.44 -0.69 0.00 0.00 174.62 173.46 1u3b s SER 77 N 3.73 6.17 0.34 3.53 0.01 -1.26 -0.59 113.70 125.62 1u3b s SER 77 Ca 0.39 1.20 0.26 0.00 1.31 0.00 0.00 55.95 59.11 1u3b s SER 77 Cb -0.08 -2.53 0.78 0.00 0.21 0.00 0.00 66.02 64.39 1u3b s SER 77 CO 0.19 -1.50 1.75 -0.07 0.41 0.00 0.00 173.24 174.01 1u3b h LEU 78 N 12.68 0.00 -9.13 2.44 3.38 0.21 -3.45 115.31 121.44 1u3b h LEU 78 Ca -0.31 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.09 1u3b h LEU 78 Cb 1.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1u3b h LEU 78 CO 1.04 0.00 1.30 -0.69 0.09 0.00 0.00 178.44 180.19 1u3b s VAL 79 N -3.25 3.20 0.00 1.22 1.01 -0.85 -2.76 120.40 118.96 1u3b s VAL 79 Ca 0.07 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1u3b s VAL 79 Cb 0.09 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1u3b s VAL 79 CO 0.58 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1u3b n GLY 80 N 5.04 3.39 3.83 4.51 0.00 0.79 -4.99 105.19 117.76 1u3b n GLY 80 Ca 0.23 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 1u3b n GLY 80 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1u3b s LEU 81 N 0.00 3.43 0.00 0.99 2.34 -1.11 -5.04 118.68 119.29 1u3b s LEU 81 Ca 0.00 1.64 -0.19 0.00 0.06 0.00 0.00 54.13 55.63 1u3b s LEU 81 Cb 0.00 -4.51 0.29 0.00 -0.56 0.00 0.00 46.19 41.41 1u3b s LEU 81 CO 0.00 -0.97 0.99 -0.81 -1.06 0.00 0.00 176.35 174.50 1u3b n PRO 82 N -2.19 -3.14 -0.01 1.48 -0.04 -1.26 -4.77 135.00 125.07 1u3b n PRO 82 Ca 0.07 -1.59 -0.12 0.00 -0.04 0.00 0.00 63.50 61.82 1u3b n PRO 82 Cb 0.54 -1.54 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 1u3b n PRO 82 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1u3b h LEU 83 N 0.00 0.07 -0.66 1.53 6.46 -1.93 -1.59 115.31 119.19 1u3b h LEU 83 Ca -0.38 -0.32 0.12 0.00 -0.12 0.00 0.00 57.88 57.18 1u3b h LEU 83 Cb 1.17 -0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.99 1u3b h LEU 83 CO 0.25 0.37 0.22 0.28 -0.62 0.00 0.00 178.44 178.93 1u3b h SER 84 N -0.23 0.16 -0.25 1.25 0.02 -1.96 0.16 113.55 112.69 1u3b h SER 84 Ca 0.01 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1u3b h SER 84 Cb 0.34 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1u3b h SER 84 CO 0.00 0.07 -0.01 0.74 -1.14 0.00 0.00 176.83 176.49 1u3b h THR 85 N 0.36 1.26 -0.53 -2.27 2.02 -1.92 -2.49 112.91 109.35 1u3b h THR 85 Ca 0.35 -0.94 0.05 0.00 0.77 0.00 0.00 66.41 66.64 1u3b h THR 85 Cb 0.51 1.38 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 1u3b h THR 85 CO -0.38 0.30 0.27 0.00 0.37 0.00 0.00 175.52 176.07 1u3b h GLN 87 N 0.52 0.76 -0.20 0.00 4.20 -0.67 -1.70 115.11 118.01 1u3b h GLN 87 Ca 0.24 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 1u3b h GLN 87 Cb 0.15 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1u3b h GLN 87 CO -0.17 0.50 -0.10 1.03 -0.67 0.00 0.00 178.83 179.42 1u3b h SER 88 N 0.78 0.30 -0.01 1.46 0.87 -0.93 0.76 113.55 116.78 1u3b h SER 88 Ca 0.24 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1u3b h SER 88 Cb -0.02 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 1u3b h SER 88 CO -0.08 0.44 0.01 0.40 -0.53 0.00 0.00 176.83 177.06 1u3b h ILE 89 N 0.30 1.08 -0.17 2.23 1.08 -0.23 -0.91 117.51 120.90 1u3b h ILE 89 Ca 0.06 -0.23 -0.13 0.00 -0.39 0.00 0.00 64.86 64.17 1u3b h ILE 89 Cb 0.37 1.21 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 1u3b h ILE 89 CO 0.02 0.06 -0.42 0.40 -0.69 0.00 0.00 178.15 177.52 1u3b h ILE 90 N -0.08 1.34 -0.52 -0.67 2.04 -1.28 -3.11 117.51 115.25 1u3b h ILE 90 Ca 0.00 -1.67 0.12 0.00 1.00 0.00 0.00 64.86 64.31 1u3b h ILE 90 Cb 0.09 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 1u3b h ILE 90 CO -0.00 0.51 0.36 0.11 0.00 0.00 0.00 178.15 179.13 1u3b h LYS 91 N 0.23 0.16 -0.53 2.37 1.57 -0.79 -1.64 116.57 117.93 1u3b h LYS 91 Ca -0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1u3b h LYS 91 Cb 1.03 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 1u3b h LYS 91 CO 0.09 0.11 0.30 0.78 -0.57 0.00 0.00 179.45 180.16 1u3b h GLY 92 N 0.17 0.78 -5.26 3.86 0.00 -1.08 -3.08 103.07 98.44 1u3b h GLY 92 Ca 0.24 -0.34 -0.66 0.00 0.00 0.00 0.00 47.33 46.57 1u3b h GLY 92 CO -0.04 0.33 2.14 1.47 0.00 0.00 0.00 176.54 180.44 1u3b n LEU 93 N -4.65 7.75 0.01 3.11 -0.00 -0.62 -4.45 117.00 118.16 1u3b n LEU 93 Ca 0.03 -4.58 -0.14 0.00 -0.00 0.00 0.00 56.01 51.32 1u3b n LEU 93 Cb 0.07 -1.37 -0.14 0.00 -0.00 0.00 0.00 43.42 41.98 1u3b n LEU 93 CO 0.36 1.99 -0.49 0.50 -0.00 0.00 0.00 177.39 179.75 1u3b h LYS 94 N 4.29 0.13 -2.34 1.47 3.11 -1.67 -3.39 116.57 118.18 1u3b h LYS 94 Ca 0.65 -0.23 -0.78 0.00 -2.81 0.00 0.00 60.65 57.48 1u3b h LYS 94 Cb 0.43 0.09 -0.29 0.00 -1.00 0.00 0.00 32.23 31.46 1u3b h LYS 94 CO 1.35 0.87 0.78 0.09 -2.81 0.00 0.00 179.45 179.74 1u3b n ASN 95 N -3.29 6.84 -4.40 4.20 3.02 -1.26 -1.70 115.26 118.67 1u3b n ASN 95 Ca -0.19 -3.65 -0.20 0.00 -0.03 0.00 0.00 54.58 50.51 1u3b n ASN 95 Cb 1.04 -1.10 -0.10 0.00 -0.61 0.00 0.00 39.78 39.01 1u3b n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u3b s GLN 96 N -4.01 1.48 0.01 3.52 -2.07 -1.26 -4.82 119.66 112.51 1u3b s GLN 96 Ca 0.39 -1.75 0.22 0.00 -1.82 0.00 0.00 55.36 52.40 1u3b s GLN 96 Cb 0.18 -0.99 -0.14 0.00 -1.09 0.00 0.00 33.01 30.97 1u3b s GLN 96 CO -0.10 -0.00 0.86 -1.13 -1.32 0.00 0.00 175.29 173.60 1u3b n SER 97 N -0.53 0.62 -3.75 12.60 3.41 -1.26 -3.14 113.62 121.57 1u3b n SER 97 Ca -0.05 -0.48 -0.13 0.00 -0.26 0.00 0.00 58.87 57.94 1u3b n SER 97 Cb 0.63 1.14 -0.13 0.00 -0.26 0.00 0.00 64.21 65.60 1u3b n SER 97 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1u3b s ARG 98 N -3.19 0.19 -0.37 4.33 3.52 -1.26 -1.57 118.95 120.61 1u3b s ARG 98 Ca 0.03 0.42 -0.03 0.00 -0.13 0.00 0.00 55.73 56.02 1u3b s ARG 98 Cb 0.15 -0.06 0.08 0.00 -1.56 0.00 0.00 34.95 33.56 1u3b s ARG 98 CO 0.85 -0.12 0.13 0.08 -0.81 0.00 0.00 175.30 175.43 1u3b s VAL 99 N 0.90 3.28 -0.19 7.11 1.01 0.37 -4.96 120.40 127.93 1u3b s VAL 99 Ca -0.07 -1.73 -0.17 0.00 0.00 0.00 0.00 61.98 60.02 1u3b s VAL 99 Cb -0.08 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 1u3b s VAL 99 CO -0.05 -0.45 0.44 -0.75 0.00 0.00 0.00 175.10 174.28 1u3b s LYS 100 N 1.21 4.20 -0.14 2.72 2.20 -1.26 -0.67 119.74 128.01 1u3b s LYS 100 Ca 0.03 0.28 -0.04 0.00 -0.36 0.00 0.00 55.97 55.88 1u3b s LYS 100 Cb -0.21 -3.53 0.07 0.00 -1.51 0.00 0.00 37.83 32.64 1u3b s LYS 100 CO -0.02 -0.04 0.19 -0.51 -0.36 0.00 0.00 175.35 174.61 1u3b s LEU 101 N 1.31 -0.10 -0.78 5.43 1.43 -0.17 -0.01 118.68 125.79 1u3b s LEU 101 Ca 0.21 0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 53.24 1u3b s LEU 101 Cb -0.15 0.36 0.09 0.00 0.03 0.00 0.00 46.19 46.51 1u3b s LEU 101 CO 0.09 -0.28 1.07 0.20 0.23 0.00 0.00 176.35 177.66 1u3b s ASN 102 N 2.32 6.35 0.29 2.29 0.02 0.13 0.10 114.94 126.44 1u3b s ASN 102 Ca 0.04 -1.36 0.11 0.00 -1.02 0.00 0.00 52.86 50.64 1u3b s ASN 102 Cb -0.13 -2.43 -0.05 0.00 0.02 0.00 0.00 41.25 38.65 1u3b s ASN 102 CO -0.08 -1.34 -0.14 0.27 0.02 0.00 0.00 177.10 175.82 1u3b s ILE 103 N 3.75 2.63 -0.42 0.60 -4.36 -0.84 -0.78 121.20 121.79 1u3b s ILE 103 Ca 0.28 -2.28 -0.13 0.00 -0.26 0.00 0.00 60.65 58.26 1u3b s ILE 103 Cb -0.11 -2.45 0.05 0.00 1.25 0.00 0.00 42.46 41.19 1u3b s ILE 103 CO 0.02 -0.36 0.29 -0.69 0.24 0.00 0.00 174.94 174.43 1u3b s VAL 104 N -2.49 4.85 -0.25 8.37 1.01 0.82 0.49 120.40 133.20 1u3b s VAL 104 Ca 0.31 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 1u3b s VAL 104 Cb -0.04 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1u3b s VAL 104 CO 0.16 -0.39 1.34 -0.13 0.00 0.00 0.00 175.10 176.09 1u3b s ARG 105 N 1.59 3.98 -0.43 2.72 0.52 0.58 -2.19 118.95 125.71 1u3b s ARG 105 Ca 0.03 1.42 0.10 0.00 -0.52 0.00 0.00 55.73 56.76 1u3b s ARG 105 Cb -0.21 -3.88 0.39 0.00 0.52 0.00 0.00 34.95 31.78 1u3b s ARG 105 CO 0.07 -1.04 0.95 0.00 0.02 0.00 0.00 175.30 175.29 1u3b s PRO 107 N -3.18 3.70 -0.24 0.00 0.04 -1.26 -4.72 135.00 129.35 1u3b s PRO 107 Ca 0.42 0.12 -0.29 0.00 0.04 0.00 0.00 61.00 61.29 1u3b s PRO 107 Cb 0.37 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1u3b s PRO 107 CO -0.10 -0.76 1.92 -2.14 0.04 0.00 0.00 177.00 175.96 1u3b s PRO 108 N 2.81 3.43 -0.25 0.56 0.02 -1.26 -4.90 135.00 135.41 1u3b s PRO 108 Ca 0.26 1.79 -0.11 0.00 0.02 0.00 0.00 61.00 62.96 1u3b s PRO 108 Cb -0.14 -4.22 -0.05 0.00 0.02 0.00 0.00 34.50 30.11 1u3b s PRO 108 CO 0.15 -1.75 0.18 0.08 -0.33 0.00 0.00 177.00 175.34 1u3b s VAL 109 N 6.80 5.33 -0.12 3.83 1.01 -1.26 -4.05 120.40 131.95 1u3b s VAL 109 Ca 0.86 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 63.01 1u3b s VAL 109 Cb -0.28 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1u3b s VAL 109 CO 0.34 0.31 0.02 -0.89 0.00 0.00 0.00 175.10 174.88 1u3b s THR 110 N 1.31 4.44 -0.41 3.92 2.01 -0.41 -4.85 115.64 121.64 1u3b s THR 110 Ca 0.08 -0.18 -0.21 0.00 0.31 0.00 0.00 61.69 61.69 1u3b s THR 110 Cb -0.14 -2.91 0.02 0.00 0.01 0.00 0.00 72.50 69.47 1u3b s THR 110 CO 0.07 0.56 0.66 -0.89 -0.69 0.00 0.00 174.62 174.33 1u3b s THR 111 N -0.44 4.82 -0.50 -0.82 2.01 -1.26 -1.18 115.64 118.27 1u3b s THR 111 Ca 0.08 0.34 -0.21 0.00 0.31 0.00 0.00 61.69 62.22 1u3b s THR 111 Cb -0.12 -4.17 0.04 0.00 0.01 0.00 0.00 72.50 68.26 1u3b s THR 111 CO 0.02 -0.51 0.71 -0.69 -0.69 0.00 0.00 174.62 173.47 1u3b s VAL 112 N 2.85 4.73 -0.71 3.82 1.01 0.28 -3.80 120.40 128.58 1u3b s VAL 112 Ca 0.24 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.97 1u3b s VAL 112 Cb -0.14 -4.34 0.19 0.00 0.00 0.00 0.00 36.38 32.09 1u3b s VAL 112 CO 0.18 -0.83 0.63 -0.22 0.00 0.00 0.00 175.10 174.86 1u3b s LEU 113 N 3.03 6.32 -0.43 3.92 0.20 -1.24 -1.99 118.68 128.48 1u3b s LEU 113 Ca 0.21 -2.49 -0.10 0.00 0.69 0.00 0.00 54.13 52.44 1u3b s LEU 113 Cb -0.16 -2.13 0.08 0.00 -0.43 0.00 0.00 46.19 43.55 1u3b s LEU 113 CO 0.16 -0.60 0.29 -0.63 -0.29 0.00 0.00 176.35 175.28 1u3b s ILE 114 N 0.48 4.43 0.09 6.68 1.01 0.36 -3.50 121.20 130.75 1u3b s ILE 114 Ca 0.14 -1.37 -0.27 0.00 0.00 0.00 0.00 60.65 59.15 1u3b s ILE 114 Cb -0.17 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 1u3b s ILE 114 CO -0.05 -0.55 0.86 -0.13 0.00 0.00 0.00 174.94 175.07 1u3b s ARG 115 N 1.46 4.61 -0.23 2.79 0.52 -1.26 -0.18 118.95 126.65 1u3b s ARG 115 Ca 0.03 1.26 -0.00 0.00 -0.52 0.00 0.00 55.73 56.50 1u3b s ARG 115 Cb -0.24 -3.36 0.07 0.00 0.52 0.00 0.00 34.95 31.94 1u3b s ARG 115 CO 0.03 0.28 -0.00 1.03 0.02 0.00 0.00 175.30 176.66 1u3b s ARG 116 N -0.16 1.21 0.26 3.54 0.52 -0.76 -4.92 118.95 118.64 1u3b s ARG 116 Ca 0.42 -0.85 -0.02 0.00 -0.52 0.00 0.00 55.73 54.76 1u3b s ARG 116 Cb -0.22 -2.39 0.34 0.00 0.52 0.00 0.00 34.95 33.20 1u3b s ARG 116 CO 0.27 -0.67 1.77 -1.00 0.02 0.00 0.00 175.30 175.69 1u3b h PRO 117 N 8.05 0.80 -4.38 3.54 0.13 -1.96 0.23 132.00 138.41 1u3b h PRO 117 Ca -0.16 -0.21 -0.17 0.00 -0.87 0.00 0.00 66.00 64.59 1u3b h PRO 117 Cb 1.08 -0.10 -0.15 0.00 0.13 0.00 0.00 31.00 31.96 1u3b h PRO 117 CO 0.40 0.79 -0.66 -0.51 -0.23 0.00 0.00 178.00 177.79 1u3b s ASP 118 N -6.63 0.41 0.44 1.44 1.01 -1.26 -4.83 116.67 107.23 1u3b s ASP 118 Ca -0.09 -1.14 0.30 0.00 0.71 0.00 0.00 52.55 52.33 1u3b s ASP 118 Cb 0.15 0.26 1.17 0.00 1.01 0.00 0.00 42.92 45.50 1u3b s ASP 118 CO 0.81 -0.68 1.87 -0.07 0.21 0.00 0.00 175.17 177.31 1u3b h LEU 119 N 2.96 0.00 -2.60 1.23 4.07 -1.88 -2.79 115.31 116.30 1u3b h LEU 119 Ca -0.35 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.61 1u3b h LEU 119 Cb 1.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1u3b h LEU 119 CO 0.62 0.00 0.00 -2.11 -1.08 0.00 0.00 178.44 175.87 1u3b n ARG 120 N -2.77 3.44 -3.99 1.13 1.85 -1.26 -4.89 116.66 110.17 1u3b n ARG 120 Ca 0.01 -2.06 -0.36 0.00 -1.00 0.00 0.00 57.85 54.44 1u3b n ARG 120 Cb 0.30 -1.94 -0.08 0.00 -1.05 0.00 0.00 32.46 29.68 1u3b n ARG 120 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1u3b s TYR 121 N -2.08 3.39 -0.15 2.89 1.51 -1.05 -5.08 117.35 116.77 1u3b s TYR 121 Ca 0.36 0.31 -0.21 0.00 -1.01 0.00 0.00 57.07 56.52 1u3b s TYR 121 Cb 0.27 -1.98 -0.03 0.00 -0.11 0.00 0.00 41.96 40.10 1u3b s TYR 121 CO 0.12 0.46 0.63 -0.65 -1.11 0.00 0.00 175.55 174.99 1u3b s GLN 122 N -0.41 4.30 0.07 -0.62 1.11 -1.26 -4.98 119.66 117.87 1u3b s GLN 122 Ca 0.10 0.67 -0.23 0.00 0.01 0.00 0.00 55.36 55.91 1u3b s GLN 122 Cb -0.12 -3.52 -0.14 0.00 -1.01 0.00 0.00 33.01 28.22 1u3b s GLN 122 CO 0.02 -0.09 1.64 -0.07 0.01 0.00 0.00 175.29 176.79 1u3b h LEU 123 N 7.55 0.06 0.00 2.90 4.07 -1.95 -3.44 115.31 124.49 1u3b h LEU 123 Ca -0.36 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.49 1u3b h LEU 123 Cb 1.16 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1u3b h LEU 123 CO 0.77 0.16 0.00 0.61 -1.08 0.00 0.00 178.44 178.90 1u3b n GLY 124 N -0.79 0.70 3.64 0.83 0.00 -1.26 -1.22 105.19 107.09 1u3b n GLY 124 Ca -0.06 -0.48 0.03 0.00 0.00 0.00 0.00 46.02 45.51 1u3b n GLY 124 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1u3b s PHE 125 N -0.99 -0.01 -0.07 1.61 -0.71 -1.26 -0.75 117.98 115.80 1u3b s PHE 125 Ca 0.00 -0.02 0.01 0.00 -1.04 0.00 0.00 56.93 55.88 1u3b s PHE 125 Cb 0.00 0.51 0.02 0.00 -1.21 0.00 0.00 43.02 42.34 1u3b s PHE 125 CO 0.00 -0.08 -0.07 -1.12 -1.34 0.00 0.00 175.22 172.61 1u3b s SER 126 N -3.14 1.50 -0.16 1.98 0.01 -0.39 -4.86 113.70 108.64 1u3b s SER 126 Ca 0.17 -0.21 -0.04 0.00 1.31 0.00 0.00 55.95 57.18 1u3b s SER 126 Cb 0.06 -0.64 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 1u3b s SER 126 CO -0.06 -0.05 -0.03 0.54 0.41 0.00 0.00 173.24 174.05 1u3b s VAL 127 N 1.07 3.86 -0.55 3.43 0.11 -1.26 -2.25 120.40 124.82 1u3b s VAL 127 Ca -0.08 -0.36 0.04 0.00 -2.93 0.00 0.00 61.98 58.65 1u3b s VAL 127 Cb -0.14 -2.70 0.14 0.00 -1.53 0.00 0.00 36.38 32.14 1u3b s VAL 127 CO -0.01 0.48 0.30 -1.10 -3.33 0.00 0.00 175.10 171.44 1u3b s GLN 128 N 0.49 2.04 0.00 1.54 1.11 0.16 -4.69 119.66 120.32 1u3b s GLN 128 Ca -0.03 -2.73 0.00 0.00 0.01 0.00 0.00 55.36 52.60 1u3b s GLN 128 Cb -0.14 -3.32 0.00 0.00 -1.01 0.00 0.00 33.01 28.54 1u3b s GLN 128 CO 0.03 -1.14 0.00 0.09 0.01 0.00 0.00 175.29 174.28 1u3b n ASN 129 N 2.93 0.00 0.00 5.90 3.02 -1.26 -2.21 115.26 123.63 1u3b n ASN 129 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1u3b n ASN 129 Cb 0.33 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1u3b n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u3b n GLY 130 N 0.00 0.92 3.32 7.41 0.00 -1.26 -4.16 105.19 111.42 1u3b n GLY 130 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1u3b n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u3b s ILE 131 N -0.02 1.87 -0.14 -0.61 -1.09 -0.94 -1.81 121.20 118.47 1u3b s ILE 131 Ca 0.00 -1.65 -0.08 0.00 -2.23 0.00 0.00 60.65 56.69 1u3b s ILE 131 Cb 0.00 -1.71 -0.04 0.00 -1.58 0.00 0.00 42.46 39.13 1u3b s ILE 131 CO 0.00 -0.06 0.15 -0.63 -1.23 0.00 0.00 174.94 173.17 1u3b s ILE 132 N -1.25 5.47 0.09 2.92 1.09 -1.17 -0.66 121.20 127.69 1u3b s ILE 132 Ca 0.10 0.23 -0.00 0.00 -1.10 0.00 0.00 60.65 59.87 1u3b s ILE 132 Cb -0.09 -3.43 -0.00 0.00 -1.06 0.00 0.00 42.46 37.87 1u3b s ILE 132 CO 0.05 0.57 -0.01 0.00 -0.10 0.00 0.00 174.94 175.45 1u3b s SER 134 N -5.95 6.51 -0.29 0.00 0.15 -1.25 -4.77 113.70 108.10 1u3b s SER 134 Ca -0.01 0.95 -0.15 0.00 0.70 0.00 0.00 55.95 57.44 1u3b s SER 134 Cb 0.00 -2.24 0.12 0.00 -1.71 0.00 0.00 66.02 62.19 1u3b s SER 134 CO 0.01 -0.28 0.83 -0.76 1.20 0.00 0.00 173.24 174.23 1u3b s LEU 135 N -3.62 -0.76 -0.16 3.45 1.43 -1.26 -1.26 118.68 116.50 1u3b s LEU 135 Ca 0.48 1.18 -0.29 0.00 -1.03 0.00 0.00 54.13 54.46 1u3b s LEU 135 Cb -0.11 2.05 -0.01 0.00 0.03 0.00 0.00 46.19 48.16 1u3b s LEU 135 CO 0.29 -0.18 1.08 -0.04 0.23 0.00 0.00 176.35 177.73 1u3b s MET 136 N 1.75 4.32 -0.28 1.70 -1.94 0.07 -4.91 119.30 120.00 1u3b s MET 136 Ca -0.08 1.45 -0.28 0.00 -1.71 0.00 0.00 55.69 55.06 1u3b s MET 136 Cb -0.05 -3.62 -0.03 0.00 2.01 0.00 0.00 34.83 33.14 1u3b s MET 136 CO -0.18 -0.52 1.95 1.03 -0.01 0.00 0.00 175.02 177.29 1u3b s ARG 137 N 2.77 3.29 0.00 2.03 0.52 -1.26 -1.84 118.95 124.46 1u3b s ARG 137 Ca 0.48 1.68 0.00 0.00 -0.52 0.00 0.00 55.73 57.37 1u3b s ARG 137 Cb -0.18 -4.25 0.00 0.00 0.52 0.00 0.00 34.95 31.04 1u3b s ARG 137 CO 0.13 -1.91 0.00 0.41 0.02 0.00 0.00 175.30 173.95 1u3b n GLY 138 N 5.50 0.74 0.00 -3.53 0.00 -1.26 -5.08 105.19 101.57 1u3b n GLY 138 Ca 0.25 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1u3b n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3b n GLY 139 N -1.48 1.37 0.12 -0.02 0.00 -0.77 -4.94 105.19 99.47 1u3b n GLY 139 Ca 0.00 -2.04 -0.18 0.00 0.00 0.00 0.00 46.02 43.79 1u3b n GLY 139 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1u3b h ILE 140 N -0.18 1.49 -0.58 -0.61 2.04 -1.74 -1.90 117.51 116.03 1u3b h ILE 140 Ca 0.00 -2.31 0.02 0.00 1.00 0.00 0.00 64.86 63.58 1u3b h ILE 140 Cb 0.00 2.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.98 1u3b h ILE 140 CO 0.00 0.66 0.36 0.00 0.00 0.00 0.00 178.15 179.17 1u3b h ALA 141 N 0.19 0.75 -0.42 1.87 0.00 -1.39 -0.94 119.26 119.31 1u3b h ALA 141 Ca -0.10 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1u3b h ALA 141 Cb 1.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1u3b h ALA 141 CO 0.13 0.10 -0.30 1.49 0.00 0.00 0.00 179.25 180.67 1u3b h GLU 142 N 0.71 0.93 -0.89 0.00 4.81 -1.76 -2.86 114.58 115.53 1u3b h GLU 142 Ca 0.23 -0.44 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 1u3b h GLU 142 Cb 0.00 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1u3b h GLU 142 CO -0.09 1.10 0.50 0.00 -0.73 0.00 0.00 179.01 179.79 1u3b h ARG 143 N 0.79 1.24 0.33 1.92 3.08 -0.87 -3.27 114.38 117.59 1u3b h ARG 143 Ca 0.09 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1u3b h ARG 143 Cb 0.87 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1u3b h ARG 143 CO 0.08 0.90 -0.16 0.78 -1.07 0.00 0.00 179.97 180.50 1u3b h GLY 144 N 1.25 -0.46 0.00 0.04 0.00 -1.12 -3.46 103.07 99.32 1u3b h GLY 144 Ca 0.32 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1u3b h GLY 144 CO -0.05 -0.17 0.00 0.61 0.00 0.00 0.00 176.54 176.93 1u3b n GLY 145 N -0.69 0.02 3.47 4.60 0.00 -1.15 -3.73 105.19 107.71 1u3b n GLY 145 Ca -0.05 -0.01 -0.50 0.00 0.00 0.00 0.00 46.02 45.46 1u3b n GLY 145 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1u3b n VAL 146 N -0.26 1.44 -3.83 1.61 3.14 -1.09 -4.85 118.33 114.49 1u3b n VAL 146 Ca 0.00 -0.36 -0.12 0.00 -2.96 0.00 0.00 64.34 60.90 1u3b n VAL 146 Cb 0.00 -0.28 -0.11 0.00 -1.06 0.00 0.00 33.84 32.39 1u3b n VAL 146 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1u3b s ARG 147 N -0.78 0.31 -0.17 1.45 0.52 -1.26 -4.43 118.95 114.57 1u3b s ARG 147 Ca 0.70 0.01 -0.29 0.00 -0.52 0.00 0.00 55.73 55.63 1u3b s ARG 147 Cb -0.95 0.14 -0.05 0.00 0.52 0.00 0.00 34.95 34.61 1u3b s ARG 147 CO 0.56 -0.06 1.87 0.08 0.02 0.00 0.00 175.30 177.78 1u3b s VAL 148 N -0.45 3.34 0.00 3.52 1.01 -1.26 -1.82 120.40 124.74 1u3b s VAL 148 Ca -0.05 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1u3b s VAL 148 Cb -0.04 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1u3b s VAL 148 CO 0.01 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.56 1u3b n GLY 149 N 5.01 2.19 1.62 4.51 0.00 -0.98 -5.02 105.19 112.52 1u3b n GLY 149 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 1u3b n GLY 149 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1u3b n HIS 150 N -0.06 -3.47 -3.45 1.61 -0.00 -0.76 -2.90 115.22 106.19 1u3b n HIS 150 Ca 0.00 -0.46 -0.27 0.00 -0.00 0.00 0.00 57.72 56.98 1u3b n HIS 150 Cb 0.00 -0.51 -0.12 0.00 -0.00 0.00 0.00 29.99 29.36 1u3b n HIS 150 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1u3b s ARG 151 N -4.16 0.53 0.26 -0.41 3.52 0.54 -3.04 118.95 116.20 1u3b s ARG 151 Ca 0.33 -1.20 -0.30 0.00 -0.13 0.00 0.00 55.73 54.42 1u3b s ARG 151 Cb -0.03 -1.20 -0.13 0.00 -1.56 0.00 0.00 34.95 32.02 1u3b s ARG 151 CO 0.25 -1.20 1.29 -0.89 -0.81 0.00 0.00 175.30 173.94 1u3b n ILE 152 N 4.15 1.33 0.00 4.11 5.41 -0.75 0.04 119.36 133.66 1u3b n ILE 152 Ca 0.11 -0.33 0.00 0.00 1.00 0.00 0.00 62.75 63.52 1u3b n ILE 152 Cb 0.38 -1.35 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 1u3b n ILE 152 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1u3b n ILE 153 N 1.26 0.00 -2.77 1.39 -5.35 0.33 -3.77 119.36 110.45 1u3b n ILE 153 Ca 0.10 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.15 1u3b n ILE 153 Cb 0.32 -0.10 -0.03 0.00 -1.74 0.00 0.00 39.64 38.09 1u3b n ILE 153 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1u3b s GLU 154 N 0.00 3.59 -0.53 6.28 0.41 -1.23 0.60 118.70 127.82 1u3b s GLU 154 Ca 0.00 -1.48 -0.21 0.00 -0.41 0.00 0.00 54.97 52.86 1u3b s GLU 154 Cb 0.00 -5.10 0.05 0.00 -1.78 0.00 0.00 34.13 27.30 1u3b s GLU 154 CO 0.00 -1.96 0.78 0.42 -0.49 0.00 0.00 175.26 174.01 1u3b s ILE 155 N 3.68 4.64 -1.45 -1.63 1.01 0.77 -0.89 121.20 127.33 1u3b s ILE 155 Ca 0.38 -0.14 -0.09 0.00 0.00 0.00 0.00 60.65 60.81 1u3b s ILE 155 Cb -0.03 -4.42 0.05 0.00 0.01 0.00 0.00 42.46 38.07 1u3b s ILE 155 CO -0.10 -0.96 0.73 0.59 0.00 0.00 0.00 174.94 175.20 1u3b n ASN 156 N 6.79 -5.11 0.00 3.58 3.02 0.25 -0.93 115.26 122.87 1u3b n ASN 156 Ca -0.03 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 1u3b n ASN 156 Cb 0.46 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 1u3b n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u3b n GLY 157 N -1.51 0.92 3.35 7.41 0.00 -1.26 -5.04 105.19 109.06 1u3b n GLY 157 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 1u3b n GLY 157 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u3b s GLN 158 N -0.57 3.14 -0.47 1.61 0.74 -0.11 -5.05 119.66 118.96 1u3b s GLN 158 Ca 0.00 -0.82 -0.28 0.00 0.05 0.00 0.00 55.36 54.31 1u3b s GLN 158 Cb 0.00 -3.34 0.01 0.00 1.10 0.00 0.00 33.01 30.78 1u3b s GLN 158 CO 0.00 -0.41 1.43 -1.12 -0.55 0.00 0.00 175.29 174.64 1u3b s SER 159 N 1.50 6.22 0.00 6.67 0.01 -1.25 -0.16 113.70 126.69 1u3b s SER 159 Ca 0.03 0.62 0.21 0.00 1.31 0.00 0.00 55.95 58.12 1u3b s SER 159 Cb -0.17 -2.54 0.33 0.00 0.21 0.00 0.00 66.02 63.85 1u3b s SER 159 CO 0.02 -1.57 1.30 1.33 0.41 0.00 0.00 173.24 174.73 1u3b n VAL 160 N 7.02 0.38 -0.32 3.43 0.24 0.20 -4.52 118.33 124.76 1u3b n VAL 160 Ca 0.15 -0.69 0.16 0.00 -2.04 0.00 0.00 64.34 61.92 1u3b n VAL 160 Cb 0.49 1.09 0.40 0.00 -1.47 0.00 0.00 33.84 34.34 1u3b n VAL 160 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 1u3b h VAL 161 N 4.07 0.68 -0.41 3.34 3.04 -1.65 0.73 116.25 126.05 1u3b h VAL 161 Ca 0.00 -0.21 -0.23 0.00 -1.01 0.00 0.00 66.70 65.25 1u3b h VAL 161 Cb 0.91 0.01 -0.14 0.00 -2.01 0.00 0.00 31.29 30.07 1u3b h VAL 161 CO 0.00 0.11 -0.09 0.00 -1.01 0.00 0.00 177.57 176.58 1u3b n ALA 162 N -2.41 4.48 -2.57 3.17 0.00 -1.26 -4.11 120.51 117.81 1u3b n ALA 162 Ca 0.22 -3.21 -0.32 0.00 0.00 0.00 0.00 53.44 50.13 1u3b n ALA 162 Cb 0.65 -0.76 -0.11 0.00 0.00 0.00 0.00 19.45 19.23 1u3b n ALA 162 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u3b s THR 163 N -3.39 3.53 0.74 0.00 2.01 0.25 -5.09 115.64 113.68 1u3b s THR 163 Ca 0.46 -0.79 -0.16 0.00 0.31 0.00 0.00 61.69 61.51 1u3b s THR 163 Cb 0.41 -2.51 0.00 0.00 0.01 0.00 0.00 72.50 70.41 1u3b s THR 163 CO -0.00 0.41 0.81 -2.65 -0.69 0.00 0.00 174.62 172.51 1u3b n PRO 164 N 1.65 0.36 -0.28 4.92 -0.02 -1.26 -4.14 135.00 136.23 1u3b n PRO 164 Ca -0.16 0.17 -0.04 0.00 -2.02 0.00 0.00 63.50 61.46 1u3b n PRO 164 Cb 0.52 -2.09 0.11 0.00 -0.02 0.00 0.00 33.50 32.02 1u3b n PRO 164 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 1u3b h HIS 165 N -0.43 1.16 -0.76 6.00 2.07 -1.84 -2.65 115.15 118.70 1u3b h HIS 165 Ca -0.46 -0.06 -0.02 0.00 -2.85 0.00 0.00 60.37 56.97 1u3b h HIS 165 Cb 1.33 -0.36 -0.04 0.00 2.57 0.00 0.00 27.41 30.92 1u3b h HIS 165 CO 0.39 0.85 0.37 0.93 -3.07 0.00 0.00 177.93 177.40 1u3b h GLU 166 N 1.15 1.08 0.02 5.12 5.08 -1.91 -1.62 114.58 123.48 1u3b h GLU 166 Ca 0.27 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1u3b h GLU 166 Cb 0.13 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1u3b h GLU 166 CO -0.03 0.82 -0.01 0.87 -1.00 0.00 0.00 179.01 179.66 1u3b h LYS 167 N 1.07 -0.02 -0.42 2.33 1.57 -1.85 -1.51 116.57 117.75 1u3b h LYS 167 Ca 0.26 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.07 1u3b h LYS 167 Cb 0.09 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1u3b h LYS 167 CO -0.04 0.26 0.22 0.82 -0.57 0.00 0.00 179.45 180.15 1u3b h ILE 168 N -0.30 1.00 -0.28 1.86 2.04 -1.35 -1.14 117.51 119.33 1u3b h ILE 168 Ca -0.00 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1u3b h ILE 168 Cb 0.29 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1u3b h ILE 168 CO 0.00 0.08 0.17 0.58 0.00 0.00 0.00 178.15 178.98 1u3b h VAL 169 N 0.45 1.08 0.08 1.67 2.07 -1.27 -2.68 116.25 117.65 1u3b h VAL 169 Ca 0.18 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1u3b h VAL 169 Cb 0.06 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1u3b h VAL 169 CO -0.11 0.08 -0.04 -0.74 0.02 0.00 0.00 177.57 176.78 1u3b h HIS 170 N 0.38 -0.11 0.13 1.57 6.17 -0.13 0.24 115.15 123.41 1u3b h HIS 170 Ca 0.10 -0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.20 1u3b h HIS 170 Cb -0.01 0.03 -0.04 0.00 2.52 0.00 0.00 27.41 29.91 1u3b h HIS 170 CO 0.00 0.12 -0.36 0.82 0.71 0.00 0.00 177.93 179.22 1u3b h ILE 171 N -0.32 0.25 -0.08 6.26 5.03 -1.12 0.77 117.51 128.30 1u3b h ILE 171 Ca -0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.72 1u3b h ILE 171 Cb 0.27 0.25 -0.01 0.00 -3.03 0.00 0.00 36.82 34.30 1u3b h ILE 171 CO 0.02 0.00 -0.01 -0.07 -0.68 0.00 0.00 178.15 177.41 1u3b h LEU 172 N -0.60 0.10 -1.15 1.44 3.38 -1.49 0.69 115.31 117.68 1u3b h LEU 172 Ca 0.03 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1u3b h LEU 172 Cb 0.62 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1u3b h LEU 172 CO -0.21 0.13 -0.35 -1.28 0.09 0.00 0.00 178.44 176.83 1u3b h SER 173 N 0.11 0.00 0.00 -0.43 0.87 0.80 -3.19 113.55 111.71 1u3b h SER 173 Ca 0.03 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 1u3b h SER 173 Cb 0.10 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.96 1u3b h SER 173 CO 0.00 0.35 -0.58 0.59 -0.53 0.00 0.00 176.83 176.66 1u3b n ASN 174 N -3.69 1.53 -2.83 6.23 3.02 0.14 -4.83 115.26 114.83 1u3b n ASN 174 Ca -0.01 -3.28 -0.34 0.00 -0.03 0.00 0.00 54.58 50.92 1u3b n ASN 174 Cb 0.45 -0.45 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1u3b n ASN 174 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u3b n ALA 175 N -0.71 5.73 -1.75 5.41 0.00 0.23 -4.97 120.51 124.45 1u3b n ALA 175 Ca 0.15 -4.31 -0.42 0.00 0.00 0.00 0.00 53.44 48.86 1u3b n ALA 175 Cb 0.80 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 1u3b n ALA 175 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1u3b n VAL 176 N -0.44 1.49 0.00 0.00 0.24 -1.26 -4.30 118.33 114.06 1u3b n VAL 176 Ca 0.45 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1u3b n VAL 176 Cb 0.41 -1.92 0.00 0.00 -1.47 0.00 0.00 33.84 30.87 1u3b n VAL 176 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u3b n GLY 177 N 1.36 1.41 2.77 7.63 0.00 0.80 -4.90 105.19 114.26 1u3b n GLY 177 Ca 0.05 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.26 1u3b n GLY 177 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u3b s GLU 178 N 0.00 0.55 -0.27 1.61 2.02 -1.26 -1.82 118.70 119.52 1u3b s GLU 178 Ca 0.00 -0.62 -0.29 0.00 0.02 0.00 0.00 54.97 54.08 1u3b s GLU 178 Cb 0.00 -0.68 -0.02 0.00 0.10 0.00 0.00 34.13 33.53 1u3b s GLU 178 CO 0.00 -1.14 1.55 0.42 0.02 0.00 0.00 175.26 176.11 1u3b s ILE 179 N 1.73 3.78 -0.26 -1.63 1.01 0.75 -4.85 121.20 121.73 1u3b s ILE 179 Ca 0.15 0.86 -0.04 0.00 0.00 0.00 0.00 60.65 61.62 1u3b s ILE 179 Cb -0.15 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.49 1u3b s ILE 179 CO -0.13 -0.40 -0.01 -1.00 0.00 0.00 0.00 174.94 173.40 1u3b s HIS 180 N 5.27 3.09 0.20 3.97 3.76 -1.25 -0.48 115.29 129.85 1u3b s HIS 180 Ca 0.68 -1.32 -0.01 0.00 -0.15 0.00 0.00 55.06 54.26 1u3b s HIS 180 Cb -0.21 -2.13 -0.04 0.00 1.11 0.00 0.00 32.58 31.30 1u3b s HIS 180 CO 0.29 -0.67 0.11 0.00 -0.85 0.00 0.00 174.74 173.63 1u3b s MET 181 N 1.39 1.19 0.08 1.40 0.23 -0.84 0.86 119.30 123.61 1u3b s MET 181 Ca 0.01 -1.62 0.07 0.00 -1.03 0.00 0.00 55.69 53.12 1u3b s MET 181 Cb -0.17 0.17 -0.04 0.00 -1.53 0.00 0.00 34.83 33.26 1u3b s MET 181 CO -0.02 -0.35 -0.13 0.15 -2.03 0.00 0.00 175.02 172.64 1u3b s LYS 182 N -4.12 2.10 -0.05 3.16 3.01 -0.07 -0.56 119.74 123.22 1u3b s LYS 182 Ca 0.36 -1.00 -0.00 0.00 -1.01 0.00 0.00 55.97 54.32 1u3b s LYS 182 Cb 0.07 -2.27 0.03 0.00 -1.01 0.00 0.00 37.83 34.65 1u3b s LYS 182 CO 0.11 0.52 -0.01 0.95 0.51 0.00 0.00 175.35 177.43 1u3b s THR 183 N -1.10 0.32 0.65 2.17 -4.23 -0.33 -0.51 115.64 112.61 1u3b s THR 183 Ca 0.19 0.07 0.05 0.00 -1.18 0.00 0.00 61.69 60.81 1u3b s THR 183 Cb -0.11 -0.44 0.11 0.00 1.34 0.00 0.00 72.50 73.41 1u3b s THR 183 CO 0.10 0.21 0.90 -0.04 -0.54 0.00 0.00 174.62 175.25 1u3b s MET 184 N 1.43 1.97 -0.17 3.99 -1.94 0.11 -1.29 119.30 123.39 1u3b s MET 184 Ca -0.04 -1.41 -0.22 0.00 -1.71 0.00 0.00 55.69 52.32 1u3b s MET 184 Cb -0.13 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.19 1u3b s MET 184 CO -0.03 -1.17 0.66 -1.25 -0.01 0.00 0.00 175.02 173.22 1u3b s PRO 185 N -4.91 4.27 0.00 2.03 0.04 -1.26 0.20 135.00 135.38 1u3b s PRO 185 Ca 0.64 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1u3b s PRO 185 Cb -0.05 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.94 1u3b s PRO 185 CO 0.42 -0.17 0.00 0.00 0.04 0.00 0.00 177.00 177.29 1u3b n ALA 186 N 4.76 0.00 -1.66 8.56 0.00 -1.14 -4.48 120.51 126.54 1u3b n ALA 186 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 1u3b n ALA 186 Cb 0.50 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.00 1u3b n ALA 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u3b n ALA 187 N -3.00 0.62 -1.97 0.00 0.00 -1.26 -4.88 120.51 110.01 1u3b n ALA 187 Ca 0.00 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1u3b n ALA 187 Cb 0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.23 1u3b n ALA 187 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1u3b s MET 188 N -2.89 4.29 -0.25 0.00 -1.94 -1.25 -4.98 119.30 112.27 1u3b s MET 188 Ca 0.76 2.22 -0.20 0.00 -1.71 0.00 0.00 55.69 56.76 1u3b s MET 188 Cb -0.41 -3.16 -0.02 0.00 2.01 0.00 0.00 34.83 33.24 1u3b s MET 188 CO 0.46 -0.43 0.63 -0.47 -0.01 0.00 0.00 175.02 175.20 1u3b s TYR 189 N 0.48 3.29 -0.94 -0.03 5.04 -1.26 -4.98 117.35 118.94 1u3b s TYR 189 Ca 0.62 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 1u3b s TYR 189 Cb -0.40 -2.84 0.32 0.00 0.35 0.00 0.00 41.96 39.39 1u3b s TYR 189 CO 0.37 -0.32 1.62 -2.13 -1.34 0.00 0.00 175.55 173.75 1u3b n ARG 190 N 5.69 4.91 0.00 4.97 3.00 -1.26 -5.00 116.66 128.97 1u3b n ARG 190 Ca -0.01 -4.70 0.00 0.00 -0.00 0.00 0.00 57.85 53.14 1u3b n ARG 190 Cb 0.49 -2.42 0.00 0.00 0.00 0.00 0.00 32.46 30.52 1u3b n ARG 190 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1u3b n LEU 191 N 0.02 0.00 0.00 6.15 7.99 -1.26 -3.31 117.00 126.59 1u3b n LEU 191 Ca 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.42 1u3b n LEU 191 Cb 0.29 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 1u3b n LEU 191 CO 0.50 0.00 -0.13 0.18 -1.51 0.00 0.00 177.39 176.43 1u3b n LEU 192 N 0.00 0.37 -4.50 2.23 4.32 -1.26 -5.11 117.00 113.06 1u3b n LEU 192 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.71 1u3b n LEU 192 Cb 0.00 0.00 0.25 0.00 -1.62 0.00 0.00 43.42 42.05 1u3b n LEU 192 CO 0.00 -0.13 0.52 0.42 -1.22 0.00 0.00 177.39 176.98 1u3b s THR 193 N -1.65 2.01 -0.21 -5.08 -4.23 -1.21 -4.64 115.64 100.63 1u3b s THR 193 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.44 1u3b s THR 193 Cb 0.00 -2.09 0.01 0.00 1.34 0.00 0.00 72.50 71.76 1u3b s THR 193 CO 0.00 -0.00 0.29 0.00 -0.54 0.00 0.00 174.62 174.36 1u3b n ALA 194 N -4.90 -3.02 0.03 3.99 0.00 -1.26 -4.84 120.51 110.50 1u3b n ALA 194 Ca 0.03 0.58 -0.13 0.00 0.00 0.00 0.00 53.44 53.92 1u3b n ALA 194 Cb 0.55 -1.85 -0.14 0.00 0.00 0.00 0.00 19.45 18.00 1u3b n ALA 194 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1u3b h GLN 195 N 1.04 0.12 -6.94 0.00 -0.00 -1.97 -3.47 115.11 103.90 1u3b h GLN 195 Ca 0.00 -0.21 -0.48 0.00 -0.00 0.00 0.00 58.65 57.96 1u3b h GLN 195 Cb 0.48 0.08 0.01 0.00 -0.00 0.00 0.00 27.48 28.05 1u3b h GLN 195 CO 0.10 0.90 0.41 -1.21 -0.00 0.00 0.00 178.83 179.03 1u3b s GLU 196 N -2.62 4.27 0.22 0.06 8.01 -1.26 -5.02 118.70 122.35 1u3b s GLU 196 Ca -0.07 1.51 -0.30 0.00 0.01 0.00 0.00 54.97 56.12 1u3b s GLU 196 Cb 0.08 -2.64 -0.08 0.00 -4.31 0.00 0.00 34.13 27.18 1u3b s GLU 196 CO 0.83 -0.05 1.02 -0.65 0.01 0.00 0.00 175.26 176.43 1u3b s GLN 197 N -2.34 4.71 1.03 1.61 1.11 -1.26 -5.04 119.66 119.48 1u3b s GLN 197 Ca 0.55 1.63 -0.12 0.00 0.01 0.00 0.00 55.36 57.43 1u3b s GLN 197 Cb -0.22 -3.27 0.20 0.00 -1.01 0.00 0.00 33.01 28.71 1u3b s GLN 197 CO 0.28 0.29 1.07 -1.25 0.01 0.00 0.00 175.29 175.69 1u3b s PRO 198 N -0.90 0.19 -0.05 2.91 0.04 -1.26 -4.89 135.00 131.04 1u3b s PRO 198 Ca 0.45 0.80 -0.33 0.00 0.04 0.00 0.00 61.00 61.96 1u3b s PRO 198 Cb -0.28 -1.69 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 1u3b s PRO 198 CO 0.35 -2.96 1.91 0.28 0.04 0.00 0.00 177.00 176.61 1u3b n VAL 199 N -4.38 0.63 -3.65 -0.36 0.31 -1.26 -4.95 118.33 104.67 1u3b n VAL 199 Ca 0.05 -0.11 -0.39 0.00 -0.01 0.00 0.00 64.34 63.88 1u3b n VAL 199 Cb 0.55 -2.00 -0.12 0.00 -0.91 0.00 0.00 33.84 31.37 1u3b n VAL 199 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1u3b s TYR 200 N 4.15 3.21 -2.52 3.52 2.02 -1.26 -4.27 117.35 122.20 1u3b s TYR 200 Ca 0.92 -0.87 0.28 0.00 -0.37 0.00 0.00 57.07 57.02 1u3b s TYR 200 Cb -0.62 -2.38 1.01 0.00 -0.40 0.00 0.00 41.96 39.58 1u3b s TYR 200 CO 0.49 -0.58 1.72 0.44 -1.57 0.00 0.00 175.55 176.05