#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1f h ASP 5 N 0.00 0.00 -1.92 -3.46 3.32 -1.44 -3.47 116.42 109.45 1u1f h ASP 5 Ca 0.00 -0.16 -0.62 0.00 0.02 0.00 0.00 57.03 56.28 1u1f h ASP 5 Cb 0.00 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.42 1u1f h ASP 5 CO 0.00 0.08 -0.66 0.68 -1.72 0.00 0.00 179.24 177.62 1u1f s VAL 6 N -3.16 2.13 0.15 -1.35 -7.23 -1.23 -5.06 120.40 104.66 1u1f s VAL 6 Ca 0.07 -2.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.12 1u1f s VAL 6 Cb 0.13 -2.74 -0.16 0.00 0.56 0.00 0.00 36.38 34.16 1u1f s VAL 6 CO 0.70 -0.15 1.35 -0.26 -0.31 0.00 0.00 175.10 176.44 1u1f h PHE 7 N 1.96 0.30 0.00 2.82 0.04 -1.95 -3.41 116.94 116.71 1u1f h PHE 7 Ca -0.42 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.17 1u1f h PHE 7 Cb 1.25 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.36 1u1f h PHE 7 CO 0.75 1.00 -0.99 0.72 -0.60 0.00 0.00 178.31 179.20 1u1f n HIS 8 N -3.64 0.00 0.13 -0.55 8.25 -1.26 -4.82 115.22 113.33 1u1f n HIS 8 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1u1f n HIS 8 Cb 0.83 0.00 0.07 0.00 1.12 0.00 0.00 29.99 32.01 1u1f n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1f h LEU 9 N 0.00 0.00 0.01 2.41 3.38 -1.92 -3.44 115.31 115.75 1u1f h LEU 9 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1u1f h LEU 9 Cb 0.99 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.75 1u1f h LEU 9 CO 0.00 0.62 -0.13 0.61 0.09 0.00 0.00 178.44 179.63 1u1f n GLY 10 N 0.95 0.36 3.22 0.83 0.00 -1.26 -4.68 105.19 104.60 1u1f n GLY 10 Ca 0.01 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 1u1f n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1f s LEU 11 N -1.73 2.16 0.34 0.99 1.43 -1.26 -4.79 118.68 115.82 1u1f s LEU 11 Ca 0.05 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.72 1u1f s LEU 11 Cb -0.02 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.29 1u1f s LEU 11 CO 0.06 0.14 0.40 0.42 0.23 0.00 0.00 176.35 177.60 1u1f s THR 12 N -0.79 3.79 0.41 5.49 -4.23 -1.26 -1.02 115.64 118.03 1u1f s THR 12 Ca 0.06 -1.15 0.08 0.00 -1.18 0.00 0.00 61.69 59.50 1u1f s THR 12 Cb -0.08 -3.30 0.23 0.00 1.34 0.00 0.00 72.50 70.69 1u1f s THR 12 CO 0.02 -0.15 2.02 0.50 -0.54 0.00 0.00 174.62 176.46 1u1f h LYS 13 N 1.02 0.44 -0.25 3.99 3.64 -1.96 -2.43 116.57 121.03 1u1f h LYS 13 Ca -0.45 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.83 1u1f h LYS 13 Cb 1.26 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1u1f h LYS 13 CO 0.55 0.36 -0.10 -0.91 -2.27 0.00 0.00 179.45 177.07 1u1f h ASN 14 N 0.45 0.38 -0.76 4.20 2.35 -1.95 -2.85 115.58 117.41 1u1f h ASN 14 Ca 0.11 -0.09 0.11 0.00 -0.55 0.00 0.00 56.30 55.88 1u1f h ASN 14 Cb 0.07 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.28 1u1f h ASN 14 CO -0.01 0.53 0.50 0.44 -1.65 0.00 0.00 177.43 177.23 1u1f h ASP 15 N 0.38 0.57 0.90 5.81 3.32 -1.84 -2.56 116.42 123.01 1u1f h ASP 15 Ca 0.08 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 1u1f h ASP 15 Cb 0.42 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1u1f h ASP 15 CO 0.02 0.33 -0.58 -0.07 -1.72 0.00 0.00 179.24 177.23 1u1f h LEU 16 N 0.63 0.00 -0.01 1.55 3.38 -1.59 -3.48 115.31 115.79 1u1f h LEU 16 Ca 0.35 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.91 1u1f h LEU 16 Cb 0.53 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.34 1u1f h LEU 16 CO -0.13 0.58 -0.65 0.00 0.09 0.00 0.00 178.44 178.32 1u1f n GLN 17 N -3.53 -5.99 -0.56 1.13 6.02 -0.97 -2.54 117.38 110.93 1u1f n GLN 17 Ca -0.00 0.79 0.00 0.00 -0.01 0.00 0.00 57.00 57.78 1u1f n GLN 17 Cb 0.65 -5.72 0.00 0.00 1.02 0.00 0.00 30.24 26.19 1u1f n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1f n GLY 18 N -1.70 0.69 3.74 1.08 0.00 -1.26 -4.80 105.19 102.94 1u1f n GLY 18 Ca -0.04 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1u1f n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1f s ALA 19 N -2.00 3.55 -0.03 4.61 0.00 -1.05 -4.92 121.76 121.92 1u1f s ALA 19 Ca 0.00 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.15 1u1f s ALA 19 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1u1f s ALA 19 CO 0.00 -0.60 0.03 0.25 0.00 0.00 0.00 175.76 175.43 1u1f n THR 20 N 2.39 0.00 -4.91 0.00 -2.24 -1.26 -4.13 114.28 104.13 1u1f n THR 20 Ca 0.06 -0.45 -0.33 0.00 -2.27 0.00 0.00 64.05 61.07 1u1f n THR 20 Cb 0.42 0.96 -0.14 0.00 -2.10 0.00 0.00 70.33 69.46 1u1f n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1f s LEU 21 N -2.11 2.61 -0.03 3.22 0.20 -1.26 0.37 118.68 121.67 1u1f s LEU 21 Ca 0.00 -0.31 0.03 0.00 0.69 0.00 0.00 54.13 54.55 1u1f s LEU 21 Cb 0.00 -1.54 -0.00 0.00 -0.43 0.00 0.00 46.19 44.22 1u1f s LEU 21 CO 0.03 0.25 -0.13 0.00 -0.29 0.00 0.00 176.35 176.21 1u1f s ALA 22 N -0.18 1.18 -0.21 5.97 0.00 0.32 -1.99 121.76 126.85 1u1f s ALA 22 Ca -0.01 -0.52 -0.15 0.00 0.00 0.00 0.00 51.96 51.29 1u1f s ALA 22 Cb -0.13 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1u1f s ALA 22 CO 0.03 0.22 0.37 0.42 0.00 0.00 0.00 175.76 176.79 1u1f s ILE 23 N 0.06 5.22 -0.55 0.00 1.01 0.53 -0.88 121.20 126.59 1u1f s ILE 23 Ca -0.02 0.64 0.04 0.00 0.00 0.00 0.00 60.65 61.30 1u1f s ILE 23 Cb -0.09 -3.70 0.14 0.00 0.01 0.00 0.00 42.46 38.82 1u1f s ILE 23 CO 0.01 0.26 0.30 0.68 0.00 0.00 0.00 174.94 176.19 1u1f s VAL 24 N 1.29 2.50 0.67 2.92 -7.23 0.40 -1.55 120.40 119.39 1u1f s VAL 24 Ca 0.17 -3.42 -0.11 0.00 -1.81 0.00 0.00 61.98 56.82 1u1f s VAL 24 Cb -0.15 -2.72 -0.00 0.00 0.56 0.00 0.00 36.38 34.07 1u1f s VAL 24 CO 0.07 -0.85 1.05 -2.16 -0.31 0.00 0.00 175.10 172.91 1u1f s PRO 25 N -0.45 3.09 0.07 4.82 0.04 -1.24 -3.81 135.00 137.53 1u1f s PRO 25 Ca 0.19 0.50 -0.11 0.00 0.04 0.00 0.00 61.00 61.61 1u1f s PRO 25 Cb -0.21 -2.07 -0.25 0.00 0.04 0.00 0.00 34.50 32.01 1u1f s PRO 25 CO -0.03 -0.85 1.15 0.78 0.04 0.00 0.00 177.00 178.09 1u1f h GLY 26 N -0.50 0.62 -6.38 0.56 0.00 -1.82 -0.04 103.07 95.51 1u1f h GLY 26 Ca -0.45 -1.26 -0.61 0.00 0.00 0.00 0.00 47.33 45.02 1u1f h GLY 26 CO 0.63 1.11 0.23 -0.35 0.00 0.00 0.00 176.54 178.16 1u1f s ASP 27 N -7.32 6.61 0.39 0.19 2.15 -1.26 -1.47 116.67 115.96 1u1f s ASP 27 Ca -0.08 0.70 0.16 0.00 0.43 0.00 0.00 52.55 53.76 1u1f s ASP 27 Cb 0.06 -2.36 1.04 0.00 -0.30 0.00 0.00 42.92 41.37 1u1f s ASP 27 CO 0.91 -0.44 1.81 -0.65 -0.17 0.00 0.00 175.17 176.63 1u1f h PRO 28 N 7.94 0.44 0.00 4.34 0.11 -1.87 -1.23 132.00 141.73 1u1f h PRO 28 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1u1f h PRO 28 Cb 1.11 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1u1f h PRO 28 CO 0.80 0.29 0.00 -0.44 -0.21 0.00 0.00 178.00 178.45 1u1f h ASP 29 N 0.46 0.00 1.43 -2.05 3.45 -1.97 -2.89 116.42 114.85 1u1f h ASP 29 Ca 0.54 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.94 1u1f h ASP 29 Cb 1.28 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.04 1u1f h ASP 29 CO -0.25 0.00 -0.26 -0.09 -1.57 0.00 0.00 179.24 177.07 1u1f h ARG 30 N 0.00 0.00 -0.35 3.56 2.43 -1.63 -3.36 114.38 115.03 1u1f h ARG 30 Ca 0.00 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1u1f h ARG 30 Cb 0.55 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 1u1f h ARG 30 CO 0.00 0.26 0.12 0.28 -1.51 0.00 0.00 179.97 179.12 1u1f h VAL 31 N 0.00 0.89 -0.75 0.20 2.07 -1.56 -1.01 116.25 116.09 1u1f h VAL 31 Ca -0.00 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 1u1f h VAL 31 Cb 1.05 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1u1f h VAL 31 CO 0.03 0.05 0.26 -0.08 0.02 0.00 0.00 177.57 177.85 1u1f h GLU 32 N 0.26 1.15 -0.71 1.57 4.81 -1.77 -2.07 114.58 117.82 1u1f h GLU 32 Ca 0.16 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1u1f h GLU 32 Cb 0.14 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1u1f h GLU 32 CO -0.17 0.96 0.30 0.87 -0.73 0.00 0.00 179.01 180.25 1u1f h LYS 33 N 1.10 1.04 -0.14 1.92 1.57 -1.56 -0.98 116.57 119.52 1u1f h LYS 33 Ca 0.24 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 1u1f h LYS 33 Cb 0.27 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1u1f h LYS 33 CO -0.01 0.83 -0.31 0.82 -0.57 0.00 0.00 179.45 180.21 1u1f h ILE 34 N 1.02 1.37 -0.22 1.86 2.04 -1.08 -3.23 117.51 119.27 1u1f h ILE 34 Ca 0.24 -1.58 -0.04 0.00 1.00 0.00 0.00 64.86 64.48 1u1f h ILE 34 Cb 0.16 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1u1f h ILE 34 CO -0.02 0.47 -0.02 0.00 0.00 0.00 0.00 178.15 178.57 1u1f h ALA 35 N 0.54 1.56 0.00 1.87 0.00 -1.21 -2.75 119.26 119.27 1u1f h ALA 35 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1u1f h ALA 35 Cb 0.91 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1u1f h ALA 35 CO 0.07 0.32 -0.04 0.00 0.00 0.00 0.00 179.25 179.60 1u1f h ALA 36 N 1.67 1.04 0.00 0.00 0.00 -1.20 -1.98 119.26 118.78 1u1f h ALA 36 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1u1f h ALA 36 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1u1f h ALA 36 CO 0.01 0.05 0.00 -0.07 0.00 0.00 0.00 179.25 179.24 1u1f h LEU 37 N 0.00 0.00-10.55 0.00 -0.00 -1.56 -3.46 115.31 99.74 1u1f h LEU 37 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.36 1u1f h LEU 37 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.06 1u1f h LEU 37 CO 0.00 0.00 -0.16 -0.04 -0.00 0.00 0.00 178.44 178.24 1u1f s MET 38 N -3.35 2.29 0.31 1.13 -1.94 -0.75 -5.12 119.30 111.89 1u1f s MET 38 Ca 0.05 -1.76 -0.15 0.00 -1.71 0.00 0.00 55.69 52.13 1u1f s MET 38 Cb 0.08 -2.47 -0.09 0.00 2.01 0.00 0.00 34.83 34.35 1u1f s MET 38 CO 0.60 -0.78 0.72 -0.51 -0.01 0.00 0.00 175.02 175.04 1u1f s ASP 39 N -4.54 6.77 -1.33 3.03 1.01 -0.27 -4.45 116.67 116.90 1u1f s ASP 39 Ca 0.53 1.26 -0.06 0.00 0.71 0.00 0.00 52.55 54.98 1u1f s ASP 39 Cb -0.05 -2.36 -0.00 0.00 1.01 0.00 0.00 42.92 41.52 1u1f s ASP 39 CO 0.33 -0.19 0.53 0.29 0.21 0.00 0.00 175.17 176.34 1u1f n LYS 40 N -0.31 -2.74 -2.48 8.23 5.02 -1.26 0.86 118.16 125.48 1u1f n LYS 40 Ca 0.03 0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 56.31 1u1f n LYS 40 Cb 0.53 -4.38 -0.03 0.00 -0.02 0.00 0.00 35.03 31.13 1u1f n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u1f s PRO 41 N -6.43 4.46 -0.03 1.97 0.04 -1.26 -4.42 135.00 129.34 1u1f s PRO 41 Ca 0.13 1.70 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 1u1f s PRO 41 Cb -0.05 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 31.13 1u1f s PRO 41 CO 0.88 -0.20 0.08 0.54 0.04 0.00 0.00 177.00 178.34 1u1f s VAL 42 N 0.98 0.01 0.30 -0.36 0.11 0.29 -5.01 120.40 116.72 1u1f s VAL 42 Ca 0.57 -0.09 -0.28 0.00 -2.93 0.00 0.00 61.98 59.25 1u1f s VAL 42 Cb -0.28 -0.15 -0.09 0.00 -1.53 0.00 0.00 36.38 34.33 1u1f s VAL 42 CO 0.29 -0.05 1.08 -0.75 -3.33 0.00 0.00 175.10 172.34 1u1f s LYS 43 N -0.11 4.57 -0.08 1.54 2.47 -1.26 -0.48 119.74 126.38 1u1f s LYS 43 Ca -0.02 1.72 -0.07 0.00 -1.56 0.00 0.00 55.97 56.04 1u1f s LYS 43 Cb -0.01 -3.07 -0.04 0.00 -1.46 0.00 0.00 37.83 33.24 1u1f s LYS 43 CO 0.00 0.17 -0.16 1.28 0.16 0.00 0.00 175.35 176.80 1u1f n LEU 44 N 0.97 1.13 -3.53 5.43 4.77 -0.05 -4.84 117.00 120.88 1u1f n LEU 44 Ca -0.00 0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 56.00 1u1f n LEU 44 Cb 0.46 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1u1f n LEU 44 CO 0.52 -0.07 0.38 0.00 -1.33 0.00 0.00 177.39 176.88 1u1f s ALA 45 N -2.30 -1.61 -0.14 -1.18 0.00 -1.04 -5.00 121.76 110.49 1u1f s ALA 45 Ca -0.16 1.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.81 1u1f s ALA 45 Cb 0.05 0.16 0.05 0.00 0.00 0.00 0.00 23.12 23.38 1u1f s ALA 45 CO 0.21 -0.43 0.09 0.45 0.00 0.00 0.00 175.76 176.08 1u1f s SER 46 N -1.49 1.96 -0.05 0.00 0.15 -1.26 0.19 113.70 113.20 1u1f s SER 46 Ca -0.09 -0.40 -0.02 0.00 0.70 0.00 0.00 55.95 56.14 1u1f s SER 46 Cb -0.01 -0.18 0.04 0.00 -1.71 0.00 0.00 66.02 64.16 1u1f s SER 46 CO 0.05 -0.32 0.10 -1.00 1.20 0.00 0.00 173.24 173.27 1u1f s HIS 47 N 2.16 -0.05 0.00 3.44 3.76 -0.13 -5.00 115.29 119.47 1u1f s HIS 47 Ca 0.03 0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.31 1u1f s HIS 47 Cb -0.15 -0.29 0.00 0.00 1.11 0.00 0.00 32.58 33.25 1u1f s HIS 47 CO -0.08 -0.19 0.00 0.54 -0.85 0.00 0.00 174.74 174.17 1u1f n ARG 48 N 4.85 0.00 -0.14 1.40 1.74 -1.26 -0.65 116.66 122.60 1u1f n ARG 48 Ca -0.13 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.02 1u1f n ARG 48 Cb 0.50 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.18 1u1f n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1u1f n GLU 49 N 14.00 1.79 -3.43 5.56 0.00 -1.26 -4.78 120.64 132.52 1u1f n GLU 49 Ca 0.00 -1.22 -0.43 0.00 0.00 0.00 0.00 57.16 55.51 1u1f n GLU 49 Cb 0.00 -1.32 -0.07 0.00 0.00 0.00 0.00 31.44 30.05 1u1f n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1f s PHE 50 N -1.62 3.36 -0.21 -1.84 0.40 0.18 -4.05 117.98 114.20 1u1f s PHE 50 Ca 0.27 -1.62 -0.05 0.00 -0.60 0.00 0.00 56.93 54.93 1u1f s PHE 50 Cb 0.14 -3.65 -0.02 0.00 0.51 0.00 0.00 43.02 40.00 1u1f s PHE 50 CO 0.20 -1.00 0.00 0.99 0.70 0.00 0.00 175.22 176.11 1u1f s THR 51 N 1.40 3.93 -0.10 0.64 2.01 -1.26 -0.95 115.64 121.30 1u1f s THR 51 Ca 0.05 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.75 1u1f s THR 51 Cb -0.27 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 1u1f s THR 51 CO 0.01 0.42 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.32 1u1f s THR 52 N 1.09 2.91 0.11 -0.82 2.01 0.13 -1.74 115.64 119.33 1u1f s THR 52 Ca 0.02 -0.73 0.08 0.00 0.31 0.00 0.00 61.69 61.37 1u1f s THR 52 Cb -0.14 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1u1f s THR 52 CO 0.01 0.55 -0.19 0.26 -0.69 0.00 0.00 174.62 174.56 1u1f s TRP 53 N 0.04 1.68 0.00 4.92 0.52 0.50 -0.87 118.94 125.73 1u1f s TRP 53 Ca -0.05 -0.44 0.06 0.00 0.02 0.00 0.00 56.10 55.68 1u1f s TRP 53 Cb -0.15 -0.90 -0.03 0.00 -1.15 0.00 0.00 33.47 31.24 1u1f s TRP 53 CO 0.04 0.20 -0.18 0.50 0.02 0.00 0.00 176.95 177.54 1u1f s ARG 54 N -2.11 2.22 0.27 4.98 3.52 0.37 -0.52 118.95 127.68 1u1f s ARG 54 Ca 0.07 -0.88 0.05 0.00 -0.13 0.00 0.00 55.73 54.84 1u1f s ARG 54 Cb -0.09 -2.23 -0.02 0.00 -1.56 0.00 0.00 34.95 31.06 1u1f s ARG 54 CO 0.04 0.57 0.26 0.00 -0.81 0.00 0.00 175.30 175.36 1u1f n ALA 55 N 1.95 0.39 -3.10 6.12 0.00 0.04 -0.55 120.51 125.36 1u1f n ALA 55 Ca -0.16 -1.50 -0.25 0.00 0.00 0.00 0.00 53.44 51.53 1u1f n ALA 55 Cb 0.52 1.21 -0.16 0.00 0.00 0.00 0.00 19.45 21.02 1u1f n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1u1f s GLU 56 N -2.98 1.62 -0.14 0.00 2.12 0.25 -0.37 118.70 119.20 1u1f s GLU 56 Ca 0.30 -0.50 -0.01 0.00 0.36 0.00 0.00 54.97 55.12 1u1f s GLU 56 Cb 0.01 -1.39 0.04 0.00 0.26 0.00 0.00 34.13 33.05 1u1f s GLU 56 CO 0.21 0.15 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.90 1u1f s LEU 57 N 0.26 1.12 -1.39 2.70 2.96 0.71 -1.11 118.68 123.93 1u1f s LEU 57 Ca -0.07 -0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 1u1f s LEU 57 Cb -0.12 -0.67 0.05 0.00 0.50 0.00 0.00 46.19 45.95 1u1f s LEU 57 CO 0.02 -0.21 0.56 0.47 -1.32 0.00 0.00 176.35 175.87 1u1f n ASP 58 N 5.02 -4.59 0.00 3.68 10.43 -1.26 -1.11 116.55 128.72 1u1f n ASP 58 Ca -0.10 -0.37 0.00 0.00 2.57 0.00 0.00 54.79 56.89 1u1f n ASP 58 Cb 0.49 -3.75 0.00 0.00 1.84 0.00 0.00 41.12 39.70 1u1f n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u1f n GLY 59 N -1.32 0.80 3.45 0.44 0.00 -1.26 -5.04 105.19 102.26 1u1f n GLY 59 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1u1f n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1f s LYS 60 N -0.21 3.56 0.21 1.61 -0.14 -0.26 -5.08 119.74 119.43 1u1f s LYS 60 Ca 0.00 -0.58 -0.31 0.00 -1.36 0.00 0.00 55.97 53.72 1u1f s LYS 60 Cb 0.00 -2.82 -0.10 0.00 -1.68 0.00 0.00 37.83 33.23 1u1f s LYS 60 CO 0.00 0.22 1.52 -1.25 -0.76 0.00 0.00 175.35 175.09 1u1f s PRO 61 N 0.38 4.23 0.06 -1.68 0.04 -1.26 -0.21 135.00 136.55 1u1f s PRO 61 Ca -0.06 2.36 0.06 0.00 0.04 0.00 0.00 61.00 63.39 1u1f s PRO 61 Cb -0.15 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 1u1f s PRO 61 CO 0.04 -0.54 -0.16 0.08 0.04 0.00 0.00 177.00 176.46 1u1f s VAL 62 N 0.62 1.24 -0.06 -0.36 1.01 0.50 -4.40 120.40 118.95 1u1f s VAL 62 Ca 0.65 -1.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 1u1f s VAL 62 Cb -0.43 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1u1f s VAL 62 CO 0.37 -0.05 -0.01 -0.63 0.00 0.00 0.00 175.10 174.78 1u1f s ILE 63 N -1.01 4.16 -0.16 2.22 -1.09 -0.84 -0.78 121.20 123.69 1u1f s ILE 63 Ca 0.02 -0.39 0.01 0.00 -2.23 0.00 0.00 60.65 58.07 1u1f s ILE 63 Cb -0.09 -2.77 0.02 0.00 -1.58 0.00 0.00 42.46 38.04 1u1f s ILE 63 CO 0.02 0.54 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.39 1u1f s VAL 64 N -0.92 1.94 -0.03 2.92 1.01 0.32 -0.35 120.40 125.28 1u1f s VAL 64 Ca 0.15 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1u1f s VAL 64 Cb -0.11 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.55 1u1f s VAL 64 CO 0.04 0.52 0.05 0.00 0.00 0.00 0.00 175.10 175.72 1u1f s SER 66 N 1.89 6.68 -0.15 0.00 1.04 -0.71 -3.69 113.70 118.76 1u1f s SER 66 Ca 0.01 2.19 0.19 0.00 0.48 0.00 0.00 55.95 58.82 1u1f s SER 66 Cb -0.12 -2.60 -0.27 0.00 0.10 0.00 0.00 66.02 63.12 1u1f s SER 66 CO -0.03 -0.55 0.18 0.35 0.98 0.00 0.00 173.24 174.17 1u1f n THR 67 N 0.08 1.01 0.00 2.02 -2.24 -0.03 -4.34 114.28 110.79 1u1f n THR 67 Ca 0.04 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1u1f n THR 67 Cb 0.48 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1u1f n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1f n GLY 68 N 1.62 -1.15 3.71 3.38 0.00 -0.54 -3.54 105.19 108.66 1u1f n GLY 68 Ca -0.25 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 1u1f n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1f s ILE 69 N -1.31 4.78 0.00 -0.61 1.01 -1.26 -4.63 121.20 119.18 1u1f s ILE 69 Ca 0.00 2.00 0.00 0.00 0.00 0.00 0.00 60.65 62.65 1u1f s ILE 69 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1u1f s ILE 69 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1u1f n GLY 70 N 2.94 2.27 0.25 6.18 0.00 -1.25 -4.70 105.19 110.88 1u1f n GLY 70 Ca 0.06 -1.86 -0.00 0.00 0.00 0.00 0.00 46.02 44.22 1u1f n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1f h GLY 71 N 0.00 0.97 0.41 -0.02 0.00 -1.86 -2.75 103.07 99.81 1u1f h GLY 71 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.14 1u1f h GLY 71 CO 0.00 0.09 -0.31 -2.55 0.00 0.00 0.00 176.54 173.77 1u1f h PRO 72 N 0.59 -0.48 -0.07 4.80 0.11 -1.94 0.40 132.00 135.40 1u1f h PRO 72 Ca 0.31 0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.32 1u1f h PRO 72 Cb 0.28 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 1u1f h PRO 72 CO -0.23 -0.32 -0.56 0.66 -0.21 0.00 0.00 178.00 177.34 1u1f h SER 73 N -0.50 0.23 -0.44 -2.05 4.64 -1.81 -2.76 113.55 110.86 1u1f h SER 73 Ca 0.04 -0.12 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1u1f h SER 73 Cb 0.55 -0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.53 1u1f h SER 73 CO -0.21 0.74 0.15 0.74 -0.87 0.00 0.00 176.83 177.38 1u1f h THR 74 N 0.16 0.86 -0.33 2.95 2.02 -1.15 -1.73 112.91 115.69 1u1f h THR 74 Ca -0.00 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1u1f h THR 74 Cb 1.03 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 1u1f h THR 74 CO 0.08 0.06 0.02 0.77 0.37 0.00 0.00 175.52 176.82 1u1f h SER 75 N 0.32 0.46 0.02 4.18 4.64 0.05 -0.37 113.55 122.85 1u1f h SER 75 Ca 0.20 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1u1f h SER 75 Cb 0.20 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1u1f h SER 75 CO -0.21 0.51 -0.01 0.40 -0.87 0.00 0.00 176.83 176.66 1u1f h ILE 76 N 0.48 1.20 -0.26 0.95 2.04 -1.23 -2.29 117.51 118.41 1u1f h ILE 76 Ca 0.11 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.30 1u1f h ILE 76 Cb 0.29 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1u1f h ILE 76 CO 0.01 0.17 0.16 0.00 0.00 0.00 0.00 178.15 178.49 1u1f h ALA 77 N 0.66 0.32 -0.31 1.87 0.00 -0.77 -1.02 119.26 120.01 1u1f h ALA 77 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1u1f h ALA 77 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1u1f h ALA 77 CO 0.00 -0.22 -0.09 0.28 0.00 0.00 0.00 179.25 179.23 1u1f h VAL 78 N 0.33 1.28 -0.20 0.00 2.07 -1.16 -0.62 116.25 117.95 1u1f h VAL 78 Ca 0.10 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1u1f h VAL 78 Cb -0.02 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1u1f h VAL 78 CO -0.03 0.37 0.09 -0.08 0.02 0.00 0.00 177.57 177.94 1u1f h GLU 79 N 0.38 0.20 -0.06 1.57 4.57 -1.30 0.26 114.58 120.21 1u1f h GLU 79 Ca 0.08 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.10 1u1f h GLU 79 Cb 0.58 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1u1f h GLU 79 CO 0.03 0.13 -0.60 0.93 -1.18 0.00 0.00 179.01 178.32 1u1f h GLU 80 N 0.20 0.20 -0.36 1.92 5.08 -1.14 -1.70 114.58 118.79 1u1f h GLU 80 Ca 0.08 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1u1f h GLU 80 Cb 0.02 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1u1f h GLU 80 CO -0.06 0.74 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.31 1u1f h LEU 81 N 0.15 0.81 -0.99 1.33 3.38 -0.95 -2.64 115.31 116.40 1u1f h LEU 81 Ca -0.01 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1u1f h LEU 81 Cb 1.10 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1u1f h LEU 81 CO 0.09 1.06 0.19 0.00 0.09 0.00 0.00 178.44 179.87 1u1f h ALA 82 N 0.99 1.18 -0.23 1.53 0.00 -0.69 -0.75 119.26 121.29 1u1f h ALA 82 Ca 0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1u1f h ALA 82 Cb 0.85 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1u1f h ALA 82 CO 0.07 0.57 -0.00 1.96 0.00 0.00 0.00 179.25 181.85 1u1f h GLN 83 N 0.90 0.34 -0.00 0.00 4.20 -1.18 -2.42 115.11 116.95 1u1f h GLN 83 Ca 0.20 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1u1f h GLN 83 Cb 0.26 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1u1f h GLN 83 CO -0.01 0.37 -0.18 1.28 -0.67 0.00 0.00 178.83 179.62 1u1f n LEU 84 N -4.35 0.49 0.00 1.46 4.77 -0.86 -4.92 117.00 113.59 1u1f n LEU 84 Ca 0.00 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1u1f n LEU 84 Cb 0.20 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1u1f n LEU 84 CO 0.37 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1u1f n GLY 85 N 1.36 1.12 3.71 -0.72 0.00 -0.88 -4.81 105.19 104.97 1u1f n GLY 85 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1u1f n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1f s ILE 86 N -2.00 4.19 -0.01 -0.61 -1.09 -0.34 -4.38 121.20 116.96 1u1f s ILE 86 Ca 0.00 1.60 0.03 0.00 -2.23 0.00 0.00 60.65 60.05 1u1f s ILE 86 Cb 0.00 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1u1f s ILE 86 CO 0.00 0.14 0.04 0.54 -1.23 0.00 0.00 174.94 174.43 1u1f n ARG 87 N 3.76 1.30 -4.63 2.79 5.12 0.16 -4.18 116.66 120.97 1u1f n ARG 87 Ca 0.08 -0.02 -0.33 0.00 -1.93 0.00 0.00 57.85 55.65 1u1f n ARG 87 Cb 0.47 -1.06 -0.16 0.00 -1.16 0.00 0.00 32.46 30.55 1u1f n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1f s THR 88 N -2.14 2.18 -0.19 0.55 2.01 -0.03 -1.05 115.64 116.97 1u1f s THR 88 Ca -0.01 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.06 1u1f s THR 88 Cb 0.01 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.66 1u1f s THR 88 CO 0.11 0.54 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.03 1u1f s PHE 89 N 0.82 2.81 -0.28 4.92 0.40 0.81 -0.52 117.98 126.94 1u1f s PHE 89 Ca -0.06 -1.66 -0.03 0.00 -0.60 0.00 0.00 56.93 54.58 1u1f s PHE 89 Cb -0.15 -1.93 0.04 0.00 0.51 0.00 0.00 43.02 41.49 1u1f s PHE 89 CO -0.02 -0.80 -0.00 -0.51 0.70 0.00 0.00 175.22 174.58 1u1f s LEU 90 N 1.29 3.68 -0.10 -0.37 1.43 -0.06 -0.94 118.68 123.60 1u1f s LEU 90 Ca 0.04 -1.07 -0.20 0.00 -1.03 0.00 0.00 54.13 51.87 1u1f s LEU 90 Cb -0.13 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1u1f s LEU 90 CO -0.12 -0.21 0.56 -0.60 0.23 0.00 0.00 176.35 176.21 1u1f s ARG 91 N 1.31 4.37 -0.15 1.70 3.52 -0.24 -0.45 118.95 129.01 1u1f s ARG 91 Ca -0.02 0.61 0.01 0.00 -0.13 0.00 0.00 55.73 56.20 1u1f s ARG 91 Cb -0.18 -3.44 0.01 0.00 -1.56 0.00 0.00 34.95 29.77 1u1f s ARG 91 CO -0.02 0.11 -0.18 -1.50 -0.81 0.00 0.00 175.30 172.90 1u1f s ILE 92 N 0.72 2.36 0.29 4.11 -1.16 -1.25 -1.22 121.20 125.05 1u1f s ILE 92 Ca 0.30 -0.87 0.05 0.00 -0.51 0.00 0.00 60.65 59.63 1u1f s ILE 92 Cb -0.16 -1.98 -0.02 0.00 0.61 0.00 0.00 42.46 40.91 1u1f s ILE 92 CO 0.13 0.53 0.20 0.61 -2.81 0.00 0.00 174.94 173.60 1u1f n GLY 93 N 4.12 3.20 3.80 1.50 0.00 -0.44 -4.15 105.19 113.22 1u1f n GLY 93 Ca -0.20 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.69 1u1f n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1f s THR 94 N -3.02 4.30 0.05 2.61 -4.23 -1.26 -1.58 115.64 112.51 1u1f s THR 94 Ca 0.28 -1.47 -0.23 0.00 -1.18 0.00 0.00 61.69 59.09 1u1f s THR 94 Cb 0.01 -3.31 0.05 0.00 1.34 0.00 0.00 72.50 70.60 1u1f s THR 94 CO 0.20 -0.34 0.54 0.28 -0.54 0.00 0.00 174.62 174.75 1u1f s THR 95 N -2.14 0.03 -0.26 3.99 -1.32 -0.86 -4.82 115.64 110.25 1u1f s THR 95 Ca 0.32 -0.21 -0.08 0.00 -1.21 0.00 0.00 61.69 60.52 1u1f s THR 95 Cb -0.08 -0.98 -0.02 0.00 -1.51 0.00 0.00 72.50 69.91 1u1f s THR 95 CO 0.24 -0.12 0.09 -0.83 -2.21 0.00 0.00 174.62 171.80 1u1f s GLY 96 N -2.00 1.79 0.37 6.08 0.00 -1.08 -2.32 107.32 110.16 1u1f s GLY 96 Ca -0.05 -1.19 -0.24 0.00 0.00 0.00 0.00 44.72 43.24 1u1f s GLY 96 CO -0.02 0.57 0.99 0.00 0.00 0.00 0.00 173.10 174.64 1u1f s ALA 97 N 1.62 3.13 -0.04 3.20 0.00 0.77 -0.91 121.76 129.52 1u1f s ALA 97 Ca 0.06 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1u1f s ALA 97 Cb -0.16 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1u1f s ALA 97 CO 0.04 0.01 0.59 0.44 0.00 0.00 0.00 175.76 176.85 1u1f n ILE 98 N 0.08 0.17 -3.91 0.00 -5.35 0.00 -0.35 119.36 110.00 1u1f n ILE 98 Ca 0.04 -0.58 -0.36 0.00 -0.27 0.00 0.00 62.75 61.58 1u1f n ILE 98 Cb 0.51 0.92 -0.07 0.00 -1.74 0.00 0.00 39.64 39.26 1u1f n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1f s GLN 99 N -0.19 3.64 0.53 6.28 -1.52 -1.22 -4.82 119.66 122.35 1u1f s GLN 99 Ca 0.00 -0.21 0.20 0.00 -1.95 0.00 0.00 55.36 53.41 1u1f s GLN 99 Cb 0.00 -3.20 1.40 0.00 -0.22 0.00 0.00 33.01 30.98 1u1f s GLN 99 CO 0.00 0.59 2.15 -1.35 -0.25 0.00 0.00 175.29 176.44 1u1f h PRO 100 N 5.62 0.00 0.00 2.91 0.11 -1.96 -2.77 132.00 135.91 1u1f h PRO 100 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1u1f h PRO 100 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1u1f h PRO 100 CO 0.63 0.04 -0.14 -2.39 -0.21 0.00 0.00 178.00 175.93 1u1f n HIS 101 N -4.24 0.30 -3.24 0.65 1.44 -1.26 -4.74 115.22 104.12 1u1f n HIS 101 Ca -0.03 0.09 -0.40 0.00 -2.01 0.00 0.00 57.72 55.37 1u1f n HIS 101 Cb 0.12 -0.59 -0.08 0.00 0.12 0.00 0.00 29.99 29.57 1u1f n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1f s ILE 102 N -3.04 5.08 0.39 0.61 1.01 -1.05 -5.07 121.20 119.13 1u1f s ILE 102 Ca 0.12 0.87 0.00 0.00 0.00 0.00 0.00 60.65 61.63 1u1f s ILE 102 Cb 0.16 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 1u1f s ILE 102 CO 0.59 0.09 0.61 0.20 0.00 0.00 0.00 174.94 176.44 1u1f s ASN 103 N 1.53 6.13 0.15 3.58 0.01 -1.26 -4.86 114.94 120.22 1u1f s ASN 103 Ca 0.21 0.43 -0.31 0.00 -0.71 0.00 0.00 52.86 52.47 1u1f s ASN 103 Cb -0.16 -1.87 -0.10 0.00 0.41 0.00 0.00 41.25 39.53 1u1f s ASN 103 CO 0.09 -0.46 1.61 -0.69 -1.51 0.00 0.00 177.10 176.14 1u1f s VAL 104 N -2.43 2.61 0.00 1.60 1.01 -1.26 -2.39 120.40 119.54 1u1f s VAL 104 Ca 0.43 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1u1f s VAL 104 Cb -0.10 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1u1f s VAL 104 CO 0.37 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1u1f n GLY 105 N 3.84 2.13 3.78 4.51 0.00 0.45 -5.02 105.19 114.88 1u1f n GLY 105 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1u1f n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1f s ASP 106 N -1.54 5.37 -0.07 1.61 1.01 -1.00 -4.72 116.67 117.32 1u1f s ASP 106 Ca 0.00 1.98 -0.00 0.00 0.71 0.00 0.00 52.55 55.24 1u1f s ASP 106 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1u1f s ASP 106 CO 0.00 -1.45 -0.03 0.68 0.21 0.00 0.00 175.17 174.58 1u1f s VAL 107 N -2.29 4.01 -0.11 -1.27 -7.23 -0.41 -0.72 120.40 112.40 1u1f s VAL 107 Ca 0.67 -0.40 0.03 0.00 -1.81 0.00 0.00 61.98 60.47 1u1f s VAL 107 Cb -0.20 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1u1f s VAL 107 CO 0.38 0.57 -0.22 -0.76 -0.31 0.00 0.00 175.10 174.76 1u1f s LEU 108 N -0.95 2.02 -0.21 1.32 1.43 0.44 -1.79 118.68 120.95 1u1f s LEU 108 Ca 0.14 -0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 1u1f s LEU 108 Cb -0.11 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 1u1f s LEU 108 CO 0.03 0.12 0.06 -0.69 0.23 0.00 0.00 176.35 176.10 1u1f s VAL 109 N 0.54 4.59 -0.26 -1.59 1.01 -0.61 -1.16 120.40 122.93 1u1f s VAL 109 Ca -0.15 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 1u1f s VAL 109 Cb -0.17 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1u1f s VAL 109 CO 0.05 0.41 0.51 -0.89 0.00 0.00 0.00 175.10 175.18 1u1f s THR 110 N 0.82 5.08 0.04 3.92 2.01 -0.67 -2.25 115.64 124.59 1u1f s THR 110 Ca 0.03 0.87 -0.16 0.00 0.31 0.00 0.00 61.69 62.74 1u1f s THR 110 Cb -0.14 -3.82 -0.31 0.00 0.01 0.00 0.00 72.50 68.24 1u1f s THR 110 CO 0.02 0.10 1.07 0.71 -0.69 0.00 0.00 174.62 175.83 1u1f h THR 111 N 5.38 1.29 -2.75 -0.82 1.35 -1.61 -3.41 112.91 112.34 1u1f h THR 111 Ca -0.29 -2.51 0.05 0.00 -0.55 0.00 0.00 66.41 63.10 1u1f h THR 111 Cb 1.14 2.81 -0.11 0.00 -1.73 0.00 0.00 68.15 70.26 1u1f h THR 111 CO 0.71 0.76 0.31 0.00 -0.25 0.00 0.00 175.52 177.06 1u1f s ALA 112 N -2.87 -1.60 0.03 6.62 0.00 -1.26 -0.44 121.76 122.25 1u1f s ALA 112 Ca -0.10 0.46 0.08 0.00 0.00 0.00 0.00 51.96 52.40 1u1f s ALA 112 Cb 0.05 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 1u1f s ALA 112 CO 0.93 -0.82 -0.23 -1.12 0.00 0.00 0.00 175.76 174.52 1u1f s SER 113 N -2.73 2.74 -0.02 0.00 0.01 -0.14 -1.98 113.70 111.58 1u1f s SER 113 Ca 0.05 -0.52 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 1u1f s SER 113 Cb -0.02 -0.25 -0.05 0.00 0.21 0.00 0.00 66.02 65.91 1u1f s SER 113 CO -0.07 0.22 1.34 -0.69 0.41 0.00 0.00 173.24 174.45 1u1f s VAL 114 N -0.73 3.88 -1.08 3.43 1.01 0.15 -4.33 120.40 122.72 1u1f s VAL 114 Ca 0.09 1.24 -0.18 0.00 0.00 0.00 0.00 61.98 63.14 1u1f s VAL 114 Cb -0.09 -3.80 0.12 0.00 0.00 0.00 0.00 36.38 32.61 1u1f s VAL 114 CO 0.01 -0.01 1.35 -0.13 0.00 0.00 0.00 175.10 176.33 1u1f s ARG 115 N 2.38 3.81 -0.50 2.72 0.52 -1.26 -1.79 118.95 124.83 1u1f s ARG 115 Ca 0.61 -1.98 0.03 0.00 -0.52 0.00 0.00 55.73 53.87 1u1f s ARG 115 Cb -0.29 -5.11 0.58 0.00 0.52 0.00 0.00 34.95 30.65 1u1f s ARG 115 CO 0.25 -1.90 1.89 1.28 0.02 0.00 0.00 175.30 176.84 1u1f n LEU 116 N 6.81 6.73 -4.61 2.53 4.77 -0.57 -4.96 117.00 127.70 1u1f n LEU 116 Ca 0.33 -3.88 -0.28 0.00 -0.03 0.00 0.00 56.01 52.15 1u1f n LEU 116 Cb 0.47 -0.85 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 1u1f n LEU 116 CO 0.60 1.24 -0.28 1.51 -1.33 0.00 0.00 177.39 179.13 1u1f s ASP 117 N -1.68 3.63 -0.20 -1.43 -4.77 -1.23 -1.48 116.67 109.51 1u1f s ASP 117 Ca 0.58 -1.42 0.09 0.00 -3.30 0.00 0.00 52.55 48.50 1u1f s ASP 117 Cb 0.48 -0.18 -0.19 0.00 -1.09 0.00 0.00 42.92 41.95 1u1f s ASP 117 CO 0.06 -0.55 -0.07 0.61 0.70 0.00 0.00 175.17 175.92 1u1f n GLY 118 N -0.97 -0.61 0.26 2.12 0.00 -1.26 -4.66 105.19 100.07 1u1f n GLY 118 Ca -0.07 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.73 1u1f n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1f h ALA 119 N 0.45 1.42 -0.63 4.61 0.00 -1.98 -2.59 119.26 120.54 1u1f h ALA 119 Ca -0.50 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.25 1u1f h ALA 119 Cb 1.95 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 1u1f h ALA 119 CO -0.03 0.41 0.41 0.66 0.00 0.00 0.00 179.25 180.70 1u1f h SER 120 N 0.39 0.61 0.53 0.00 4.64 -1.86 -1.26 113.55 116.60 1u1f h SER 120 Ca 0.08 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1u1f h SER 120 Cb 0.36 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1u1f h SER 120 CO 0.02 0.41 0.00 -0.07 -0.87 0.00 0.00 176.83 176.32 1u1f h LEU 121 N 0.71 0.00 0.00 5.97 3.38 -1.56 -1.56 115.31 122.24 1u1f h LEU 121 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1u1f h LEU 121 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1u1f h LEU 121 CO -0.07 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.87 1u1f n HIS 122 N -3.03 0.00 0.00 1.13 8.25 -0.48 -3.90 115.22 117.20 1u1f n HIS 122 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1u1f n HIS 122 Cb 0.19 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.08 1u1f n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1f n PHE 123 N -1.23 0.00 -3.69 4.41 3.01 -0.68 -5.08 117.46 114.21 1u1f n PHE 123 Ca 0.16 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.48 1u1f n PHE 123 Cb 0.21 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.60 1u1f n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1f s ALA 124 N -1.99 -1.16 0.85 4.37 0.00 -0.68 -5.00 121.76 118.15 1u1f s ALA 124 Ca 0.00 0.96 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 1u1f s ALA 124 Cb 0.00 -0.30 0.11 0.00 0.00 0.00 0.00 23.12 22.92 1u1f s ALA 124 CO 0.00 -0.27 1.15 -1.25 0.00 0.00 0.00 175.76 175.39 1u1f s PRO 125 N -0.63 1.51 0.41 0.00 0.04 -1.26 -3.82 135.00 131.24 1u1f s PRO 125 Ca -0.07 1.51 0.17 0.00 0.04 0.00 0.00 61.00 62.65 1u1f s PRO 125 Cb -0.03 -1.79 1.06 0.00 0.04 0.00 0.00 34.50 33.78 1u1f s PRO 125 CO 0.04 -2.26 1.85 1.25 0.04 0.00 0.00 177.00 177.92 1u1f h LEU 126 N -1.39 0.43 -2.35 -3.56 5.85 -1.93 -1.20 115.31 111.16 1u1f h LEU 126 Ca -0.44 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1u1f h LEU 126 Cb 1.27 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1u1f h LEU 126 CO 0.45 0.17 -0.03 1.05 -0.34 0.00 0.00 178.44 179.75 1u1f h GLU 127 N 0.43 0.00 -6.58 1.25 9.09 -2.03 -3.42 114.58 113.32 1u1f h GLU 127 Ca 0.47 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.35 1u1f h GLU 127 Cb 1.14 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.25 1u1f h GLU 127 CO -0.19 0.03 0.63 0.12 0.05 0.00 0.00 179.01 179.65 1u1f s PHE 128 N -4.11 3.34 0.10 2.06 2.19 -0.46 -4.99 117.98 116.11 1u1f s PHE 128 Ca -0.03 1.20 -0.30 0.00 0.33 0.00 0.00 56.93 58.13 1u1f s PHE 128 Cb 0.12 -3.54 -0.06 0.00 -1.31 0.00 0.00 43.02 38.23 1u1f s PHE 128 CO 0.50 -1.72 1.16 -1.25 1.83 0.00 0.00 175.22 175.73 1u1f s PRO 129 N 0.56 4.49 -1.43 10.12 0.04 -1.26 -4.94 135.00 142.58 1u1f s PRO 129 Ca 0.59 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 63.23 1u1f s PRO 129 Cb -0.34 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 30.89 1u1f s PRO 129 CO 0.33 -0.14 2.29 0.00 0.04 0.00 0.00 177.00 179.51 1u1f n ALA 130 N 3.38 5.62 -2.81 8.56 0.00 -1.26 -4.75 120.51 129.26 1u1f n ALA 130 Ca 0.07 -3.80 -0.37 0.00 0.00 0.00 0.00 53.44 49.34 1u1f n ALA 130 Cb 0.46 -3.53 -0.06 0.00 0.00 0.00 0.00 19.45 16.33 1u1f n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1f s VAL 131 N 3.20 5.42 0.55 0.00 0.11 -1.26 -0.97 120.40 127.46 1u1f s VAL 131 Ca 0.50 0.32 -0.16 0.00 -2.93 0.00 0.00 61.98 59.70 1u1f s VAL 131 Cb 0.14 -3.46 -0.06 0.00 -1.53 0.00 0.00 36.38 31.48 1u1f s VAL 131 CO -0.07 0.60 1.02 0.00 -3.33 0.00 0.00 175.10 173.32 1u1f s ALA 132 N -0.94 2.91 0.28 1.54 0.00 0.42 -4.70 121.76 121.27 1u1f s ALA 132 Ca 0.16 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.10 1u1f s ALA 132 Cb -0.13 -3.17 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 1u1f s ALA 132 CO 0.05 -0.52 1.38 0.34 0.00 0.00 0.00 175.76 177.01 1u1f s ASP 133 N -2.96 6.72 0.19 0.00 2.15 0.45 -4.93 116.67 118.28 1u1f s ASP 133 Ca 0.61 2.65 -0.10 0.00 0.43 0.00 0.00 52.55 56.14 1u1f s ASP 133 Cb -0.13 -2.63 0.11 0.00 -0.30 0.00 0.00 42.92 39.97 1u1f s ASP 133 CO 0.34 -0.62 1.75 0.15 -0.17 0.00 0.00 175.17 176.62 1u1f h PHE 134 N 4.40 1.05 -0.61 -5.34 3.04 -1.95 -0.90 116.94 116.63 1u1f h PHE 134 Ca -0.47 -0.08 -0.10 0.00 3.98 0.00 0.00 57.97 61.30 1u1f h PHE 134 Cb 1.22 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 39.40 1u1f h PHE 134 CO 0.58 0.82 -0.00 0.93 -2.02 0.00 0.00 178.31 178.63 1u1f h GLU 135 N 0.98 1.07 -0.39 1.11 5.08 -1.95 -0.97 114.58 119.50 1u1f h GLU 135 Ca 0.23 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 1u1f h GLU 135 Cb 0.23 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1u1f h GLU 135 CO -0.02 1.04 -0.02 0.00 -1.00 0.00 0.00 179.01 179.02 1u1f h THR 137 N 0.53 1.24 -0.18 0.00 2.02 -1.12 -1.80 112.91 113.60 1u1f h THR 137 Ca 0.11 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.46 1u1f h THR 137 Cb 0.51 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1u1f h THR 137 CO 0.02 0.31 0.04 0.74 0.37 0.00 0.00 175.52 177.00 1u1f h THR 138 N 0.69 0.92 -0.73 3.16 2.02 -1.09 -1.15 112.91 116.73 1u1f h THR 138 Ca 0.16 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 1u1f h THR 138 Cb 0.34 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1u1f h THR 138 CO 0.00 0.02 0.39 0.00 0.37 0.00 0.00 175.52 176.31 1u1f h ALA 139 N 1.13 1.32 -0.32 6.16 0.00 -1.11 -0.88 119.26 125.56 1u1f h ALA 139 Ca 0.08 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1u1f h ALA 139 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1u1f h ALA 139 CO -0.11 0.55 -0.26 -0.07 0.00 0.00 0.00 179.25 179.36 1u1f h LEU 140 N 1.02 0.78 -0.38 0.00 3.38 -1.06 0.02 115.31 119.07 1u1f h LEU 140 Ca 0.26 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1u1f h LEU 140 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1u1f h LEU 140 CO -0.04 1.07 0.07 0.58 0.09 0.00 0.00 178.44 180.21 1u1f h VAL 141 N 0.50 1.24 -0.50 1.22 2.07 -0.99 -0.95 116.25 118.83 1u1f h VAL 141 Ca 0.06 -0.83 -0.10 0.00 0.82 0.00 0.00 66.70 66.65 1u1f h VAL 141 Cb 0.83 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1u1f h VAL 141 CO 0.07 0.28 -0.08 -0.33 0.02 0.00 0.00 177.57 177.53 1u1f h GLU 142 N 0.48 0.90 -0.63 1.57 5.08 -1.16 -1.56 114.58 119.27 1u1f h GLU 142 Ca 0.12 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1u1f h GLU 142 Cb 0.35 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1u1f h GLU 142 CO 0.01 0.95 0.08 0.00 -1.00 0.00 0.00 179.01 179.04 1u1f h ALA 143 N 1.09 0.96 -0.51 3.43 0.00 -0.84 0.26 119.26 123.63 1u1f h ALA 143 Ca 0.14 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1u1f h ALA 143 Cb 0.60 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1u1f h ALA 143 CO 0.04 0.65 -0.08 0.00 0.00 0.00 0.00 179.25 179.85 1u1f h ALA 144 N 1.11 0.89 0.00 0.00 0.00 -1.01 -2.70 119.26 117.54 1u1f h ALA 144 Ca 0.19 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1u1f h ALA 144 Cb 0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1u1f h ALA 144 CO 0.01 0.64 -0.43 -0.22 0.00 0.00 0.00 179.25 179.25 1u1f h LYS 145 N 0.84 0.00 -0.32 0.00 3.64 -1.05 -1.55 116.57 118.13 1u1f h LYS 145 Ca 0.14 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1u1f h LYS 145 Cb 0.61 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1u1f h LYS 145 CO 0.04 0.43 -0.15 1.03 -2.27 0.00 0.00 179.45 178.53 1u1f h SER 146 N 0.00 0.69 0.54 4.20 0.87 -0.68 -3.16 113.55 116.00 1u1f h SER 146 Ca -0.00 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1u1f h SER 146 Cb 0.86 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1u1f h SER 146 CO 0.06 0.94 -0.47 2.30 -0.53 0.00 0.00 176.83 179.13 1u1f n ILE 147 N -4.37 0.00 -2.19 2.23 -5.35 -1.04 -4.99 119.36 103.65 1u1f n ILE 147 Ca -0.03 -0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.43 1u1f n ILE 147 Cb 0.38 0.19 0.01 0.00 -1.74 0.00 0.00 39.64 38.49 1u1f n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u1f n GLY 148 N 1.50 0.33 3.95 3.28 0.00 -0.65 -5.07 105.19 108.53 1u1f n GLY 148 Ca 0.06 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 1u1f n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1f s ALA 149 N -3.05 3.96 -0.43 4.61 0.00 -0.82 -5.04 121.76 120.98 1u1f s ALA 149 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 1u1f s ALA 149 Cb -0.00 -1.79 0.01 0.00 0.00 0.00 0.00 23.12 21.34 1u1f s ALA 149 CO 0.10 0.51 1.42 0.99 0.00 0.00 0.00 175.76 178.78 1u1f s THR 150 N -1.77 3.87 -0.04 0.00 2.01 -1.26 -4.79 115.64 113.67 1u1f s THR 150 Ca 0.35 0.87 0.06 0.00 0.31 0.00 0.00 61.69 63.27 1u1f s THR 150 Cb -0.11 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.16 1u1f s THR 150 CO 0.29 -0.81 -0.20 -0.89 -0.69 0.00 0.00 174.62 172.31 1u1f s THR 151 N 5.60 2.54 -0.06 -0.82 2.01 -1.26 -1.28 115.64 122.37 1u1f s THR 151 Ca 0.61 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1u1f s THR 151 Cb -0.13 -1.95 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 1u1f s THR 151 CO 0.32 0.58 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.64 1u1f s HIS 152 N -0.61 1.97 -0.14 4.92 3.76 -0.74 -4.99 115.29 119.46 1u1f s HIS 152 Ca 0.09 -0.64 -0.00 0.00 -0.15 0.00 0.00 55.06 54.36 1u1f s HIS 152 Cb -0.11 -1.33 -0.01 0.00 1.11 0.00 0.00 32.58 32.24 1u1f s HIS 152 CO 0.00 -0.23 -0.12 0.08 -0.85 0.00 0.00 174.74 173.61 1u1f s VAL 153 N 0.13 3.07 -2.93 -0.90 1.01 -1.26 -1.58 120.40 117.94 1u1f s VAL 153 Ca -0.08 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1u1f s VAL 153 Cb -0.14 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1u1f s VAL 153 CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1u1f n GLY 154 N 3.60 -0.58 3.82 4.51 0.00 -0.95 -4.99 105.19 110.61 1u1f n GLY 154 Ca -0.18 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 1u1f n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1f s VAL 155 N -3.53 4.81 -0.02 1.61 1.01 -1.26 -1.52 120.40 121.50 1u1f s VAL 155 Ca 0.00 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.11 1u1f s VAL 155 Cb 0.00 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1u1f s VAL 155 CO 0.00 0.48 -0.23 -0.89 0.00 0.00 0.00 175.10 174.46 1u1f s THR 156 N -1.20 2.35 -0.32 3.92 2.01 -0.84 -0.80 115.64 120.76 1u1f s THR 156 Ca 0.31 -1.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.09 1u1f s THR 156 Cb -0.18 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.47 1u1f s THR 156 CO 0.18 0.57 0.63 0.00 -0.69 0.00 0.00 174.62 175.31 1u1f s ALA 157 N -0.66 3.52 -0.36 7.40 0.00 0.07 0.33 121.76 132.07 1u1f s ALA 157 Ca 0.11 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.29 1u1f s ALA 157 Cb -0.10 -3.11 0.04 0.00 0.00 0.00 0.00 23.12 19.94 1u1f s ALA 157 CO -0.00 -1.13 0.15 0.45 0.00 0.00 0.00 175.76 175.23 1u1f s SER 158 N 1.67 5.50 -0.03 0.00 0.15 -0.74 -1.75 113.70 118.50 1u1f s SER 158 Ca 0.25 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1u1f s SER 158 Cb -0.15 -1.94 -0.03 0.00 -1.71 0.00 0.00 66.02 62.19 1u1f s SER 158 CO 0.12 -0.36 -0.00 -0.55 1.20 0.00 0.00 173.24 173.65 1u1f s SER 159 N 1.50 5.12 0.08 5.45 0.15 0.41 -1.51 113.70 124.90 1u1f s SER 159 Ca 0.00 0.04 0.22 0.00 0.70 0.00 0.00 55.95 56.91 1u1f s SER 159 Cb -0.20 -1.37 0.90 0.00 -1.71 0.00 0.00 66.02 63.65 1u1f s SER 159 CO 0.04 0.32 1.70 0.47 1.20 0.00 0.00 173.24 176.97 1u1f n ASP 160 N 1.68 0.25 -4.29 5.45 9.92 -0.55 -4.34 116.55 124.67 1u1f n ASP 160 Ca -0.16 0.54 -0.19 0.00 -0.53 0.00 0.00 54.79 54.45 1u1f n ASP 160 Cb 0.53 -0.60 -0.11 0.00 -0.64 0.00 0.00 41.12 40.30 1u1f n ASP 160 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1u1f s THR 161 N -3.07 1.55 0.05 -3.53 -4.23 -1.26 -5.02 115.64 100.12 1u1f s THR 161 Ca 0.09 -1.89 0.02 0.00 -1.18 0.00 0.00 61.69 58.74 1u1f s THR 161 Cb 0.13 -1.74 -0.25 0.00 1.34 0.00 0.00 72.50 71.98 1u1f s THR 161 CO 0.42 -0.44 1.02 0.15 -0.54 0.00 0.00 174.62 175.24 1u1f h PHE 162 N 3.22 0.24 0.00 3.99 3.57 -1.97 -3.39 116.94 122.60 1u1f h PHE 162 Ca -0.40 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 60.92 1u1f h PHE 162 Cb 1.20 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1u1f h PHE 162 CO 0.67 1.18 0.00 0.66 -2.23 0.00 0.00 178.31 178.59 1u1f n TYR 163 N -3.37 0.00 -0.20 0.41 4.02 -1.26 -4.31 117.16 112.44 1u1f n TYR 163 Ca -0.10 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.76 1u1f n TYR 163 Cb 1.01 -0.00 0.14 0.00 -0.02 0.00 0.00 39.34 40.47 1u1f n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1f h PRO 164 N 0.00 0.99 0.00 -0.72 0.13 -1.87 0.11 132.00 130.64 1u1f h PRO 164 Ca 0.00 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1u1f h PRO 164 Cb 0.00 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 30.97 1u1f h PRO 164 CO 0.00 0.84 0.00 0.78 -0.23 0.00 0.00 178.00 179.39 1u1f h GLY 165 N 1.05 0.00 -1.98 1.56 0.00 -1.86 -1.20 103.07 100.64 1u1f h GLY 165 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1u1f h GLY 165 CO -0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.47 1u1f n GLN 166 N -2.81 3.31 -3.96 4.80 6.02 -0.88 -4.94 117.38 118.91 1u1f n GLN 166 Ca 0.01 -2.84 -0.31 0.00 -0.01 0.00 0.00 57.00 53.85 1u1f n GLN 166 Cb 0.25 -1.87 -0.01 0.00 1.02 0.00 0.00 30.24 29.62 1u1f n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u1f n GLU 167 N -0.15 -1.99 -3.41 -1.09 2.13 -0.45 -4.94 120.64 110.74 1u1f n GLU 167 Ca 0.22 0.32 -0.37 0.00 0.66 0.00 0.00 57.16 57.98 1u1f n GLU 167 Cb 0.91 -3.98 -0.07 0.00 0.27 0.00 0.00 31.44 28.57 1u1f n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1u1f s ARG 168 N -6.68 4.28 -0.00 5.31 0.52 0.34 -4.97 118.95 117.74 1u1f s ARG 168 Ca 0.19 0.27 0.16 0.00 -0.52 0.00 0.00 55.73 55.83 1u1f s ARG 168 Cb -0.08 -3.45 -0.19 0.00 0.52 0.00 0.00 34.95 31.74 1u1f s ARG 168 CO 0.91 0.15 0.63 0.66 0.02 0.00 0.00 175.30 177.67 1u1f n TYR 169 N 3.78 0.00 -1.43 -0.53 4.02 -1.26 -4.39 117.16 117.35 1u1f n TYR 169 Ca -0.09 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.41 1u1f n TYR 169 Cb 0.52 -0.08 -0.02 0.00 -0.02 0.00 0.00 39.34 39.74 1u1f n TYR 169 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1u1f n ASP 170 N -1.53 5.07 -3.96 7.72 4.64 -1.26 -4.20 116.55 123.04 1u1f n ASP 170 Ca 0.02 -2.69 -0.22 0.00 -1.38 0.00 0.00 54.79 50.52 1u1f n ASP 170 Cb 0.29 -1.49 -0.09 0.00 -1.04 0.00 0.00 41.12 38.80 1u1f n ASP 170 CO 0.00 0.00 0.00 0.42 -0.82 0.00 0.00 177.20 176.80 1u1f s THR 171 N 3.23 0.43 0.11 5.18 -4.23 -1.26 -5.02 115.64 114.08 1u1f s THR 171 Ca 0.54 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.82 1u1f s THR 171 Cb 0.15 -2.45 -0.10 0.00 1.34 0.00 0.00 72.50 71.44 1u1f s THR 171 CO -0.04 0.00 1.70 0.22 -0.54 0.00 0.00 174.62 175.96 1u1f h TYR 172 N 2.01 -0.22 0.03 3.99 5.03 -1.99 -3.10 116.97 122.72 1u1f h TYR 172 Ca -0.33 0.01 -0.22 0.00 2.58 0.00 0.00 58.73 60.77 1u1f h TYR 172 Cb 1.26 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.62 1u1f h TYR 172 CO 1.34 -0.14 -0.99 0.66 -1.32 0.00 0.00 178.16 177.72 1u1f h SER 173 N -0.15 0.22 -0.24 -2.11 4.64 -1.97 -3.47 113.55 110.46 1u1f h SER 173 Ca 0.03 -0.20 -0.10 0.00 -0.47 0.00 0.00 61.79 61.05 1u1f h SER 173 Cb 0.19 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 1u1f h SER 173 CO -0.09 1.07 -0.09 0.61 -0.87 0.00 0.00 176.83 177.46 1u1f n GLY 174 N 1.13 0.75 3.17 -0.77 0.00 -1.17 -5.01 105.19 103.29 1u1f n GLY 174 Ca -0.04 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 1u1f n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1f s ARG 175 N -2.02 0.83 -0.06 1.61 1.70 -1.26 -4.91 118.95 114.83 1u1f s ARG 175 Ca 0.00 -1.26 0.03 0.00 -0.47 0.00 0.00 55.73 54.03 1u1f s ARG 175 Cb 0.00 -0.32 0.01 0.00 -0.57 0.00 0.00 34.95 34.07 1u1f s ARG 175 CO 0.00 0.02 -0.16 0.08 -1.08 0.00 0.00 175.30 174.16 1u1f s VAL 176 N -3.16 1.37 0.49 4.99 1.01 -1.26 -4.93 120.40 118.91 1u1f s VAL 176 Ca 0.09 -0.64 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 1u1f s VAL 176 Cb 0.02 -1.21 -0.08 0.00 0.00 0.00 0.00 36.38 35.11 1u1f s VAL 176 CO -0.03 0.40 1.02 0.55 0.00 0.00 0.00 175.10 177.04 1u1f n VAL 177 N 3.53 2.87 -0.31 2.92 3.14 -1.26 -4.61 118.33 124.61 1u1f n VAL 177 Ca -0.21 -0.50 0.09 0.00 -2.96 0.00 0.00 64.34 60.77 1u1f n VAL 177 Cb 0.52 -1.20 0.21 0.00 -1.06 0.00 0.00 33.84 32.31 1u1f n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1f h ARG 178 N 1.23 0.04 -0.75 1.45 2.43 -2.00 -0.27 114.38 116.51 1u1f h ARG 178 Ca -0.46 -0.00 0.14 0.00 -0.81 0.00 0.00 59.98 58.85 1u1f h ARG 178 Cb 1.34 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.83 1u1f h ARG 178 CO 0.55 0.03 0.50 1.25 -1.51 0.00 0.00 179.97 180.78 1u1f h HIS 179 N 0.04 0.49 -0.02 2.20 2.76 -2.02 -2.07 115.15 116.52 1u1f h HIS 179 Ca 0.51 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.69 1u1f h HIS 179 Cb 0.94 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.75 1u1f h HIS 179 CO -0.52 0.19 -0.01 1.19 -1.30 0.00 0.00 177.93 177.48 1u1f n PHE 180 N -4.48 0.00 -2.15 5.26 3.01 -0.16 -4.79 117.46 114.15 1u1f n PHE 180 Ca 0.14 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.18 1u1f n PHE 180 Cb 0.51 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.96 1u1f n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1u1f s LYS 181 N -1.62 4.23 -0.08 -1.08 -0.14 -0.78 -2.24 119.74 118.03 1u1f s LYS 181 Ca 0.22 2.03 0.00 0.00 -1.36 0.00 0.00 55.97 56.87 1u1f s LYS 181 Cb 0.16 -3.75 0.00 0.00 -1.68 0.00 0.00 37.83 32.56 1u1f s LYS 181 CO 0.25 -0.71 0.00 0.41 -0.76 0.00 0.00 175.35 174.54 1u1f n GLY 182 N 3.85 0.44 0.20 -3.33 0.00 -1.26 -4.93 105.19 100.15 1u1f n GLY 182 Ca 0.15 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 1u1f n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1f h SER 183 N 0.00 0.67 -0.36 1.61 4.64 -1.76 -2.96 113.55 115.40 1u1f h SER 183 Ca -0.02 -0.41 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 1u1f h SER 183 Cb 0.26 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1u1f h SER 183 CO 0.02 1.16 0.22 -0.03 -0.87 0.00 0.00 176.83 177.33 1u1f h MET 184 N 0.41 0.43 -0.88 4.77 -1.53 -1.92 -0.77 114.93 115.45 1u1f h MET 184 Ca -0.02 -0.03 0.04 0.00 -3.44 0.00 0.00 59.70 56.25 1u1f h MET 184 Cb 1.26 -0.10 -0.05 0.00 -0.55 0.00 0.00 31.60 32.16 1u1f h MET 184 CO 0.13 0.29 0.58 1.49 0.14 0.00 0.00 176.91 179.53 1u1f h GLU 185 N 0.44 1.05 -0.20 0.39 4.81 -1.97 -0.04 114.58 119.07 1u1f h GLU 185 Ca 0.14 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1u1f h GLU 185 Cb -0.02 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1u1f h GLU 185 CO -0.05 0.70 0.02 1.49 -0.73 0.00 0.00 179.01 180.43 1u1f h GLU 186 N 1.09 0.34 -0.74 1.92 4.57 -1.24 -1.89 114.58 118.63 1u1f h GLU 186 Ca 0.35 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.40 1u1f h GLU 186 Cb 0.04 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1u1f h GLU 186 CO -0.11 0.52 0.31 -1.49 -1.18 0.00 0.00 179.01 177.06 1u1f h TRP 187 N 0.12 1.10 -0.43 0.92 -0.00 -0.83 -2.39 115.95 114.44 1u1f h TRP 187 Ca 0.06 -0.07 0.04 0.00 -0.00 0.00 0.00 58.89 58.92 1u1f h TRP 187 Cb 0.35 -0.33 -0.04 0.00 -0.00 0.00 0.00 29.16 29.14 1u1f h TRP 187 CO 0.03 0.83 0.19 1.96 -0.00 0.00 0.00 178.44 181.45 1u1f h GLN 188 N 1.05 0.37 0.00 0.49 4.20 -0.90 -1.24 115.11 119.08 1u1f h GLN 188 Ca 0.25 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.90 1u1f h GLN 188 Cb 0.18 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1u1f h GLN 188 CO -0.02 0.25 -0.19 0.00 -0.67 0.00 0.00 178.83 178.20 1u1f h ALA 189 N 1.25 1.34 -0.07 3.87 0.00 -1.20 -2.28 119.26 122.17 1u1f h ALA 189 Ca 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1u1f h ALA 189 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1u1f h ALA 189 CO -0.16 0.23 0.00 -1.33 0.00 0.00 0.00 179.25 177.99 1u1f n MET 190 N -3.80 1.47 -0.92 0.00 2.81 -0.66 -4.92 117.12 111.10 1u1f n MET 190 Ca -0.02 -0.69 0.00 0.00 -1.81 0.00 0.00 57.70 55.18 1u1f n MET 190 Cb 0.29 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 1u1f n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1f n GLY 191 N 1.06 0.51 3.72 3.03 0.00 -0.86 -5.02 105.19 107.64 1u1f n GLY 191 Ca 0.18 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1u1f n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1f s VAL 192 N -2.00 2.85 -0.02 1.61 1.01 -0.56 -4.60 120.40 118.70 1u1f s VAL 192 Ca 0.00 0.64 -0.20 0.00 0.00 0.00 0.00 61.98 62.42 1u1f s VAL 192 Cb 0.00 -3.41 -0.30 0.00 0.00 0.00 0.00 36.38 32.67 1u1f s VAL 192 CO 0.00 0.06 0.97 0.24 0.00 0.00 0.00 175.10 176.38 1u1f h MET 193 N 6.30 0.39 -3.03 2.72 0.00 -1.29 -3.42 114.93 116.60 1u1f h MET 193 Ca -0.43 -0.58 0.05 0.00 0.00 0.00 0.00 59.70 58.74 1u1f h MET 193 Cb 1.21 0.20 -0.06 0.00 0.00 0.00 0.00 31.60 32.95 1u1f h MET 193 CO 0.86 1.25 0.21 0.54 0.00 0.00 0.00 176.91 179.77 1u1f s ASN 194 N -7.04 -0.29 -0.14 1.22 4.22 -1.26 -0.82 114.94 110.84 1u1f s ASN 194 Ca -0.13 -0.56 -0.01 0.00 -2.14 0.00 0.00 52.86 50.03 1u1f s ASN 194 Cb 0.02 0.71 -0.02 0.00 1.28 0.00 0.00 41.25 43.24 1u1f s ASN 194 CO 0.85 -1.30 -0.10 -0.31 -2.04 0.00 0.00 177.10 174.21 1u1f s TYR 195 N -3.91 2.88 0.00 1.54 1.51 -0.09 -0.75 117.35 118.54 1u1f s TYR 195 Ca 0.10 -0.51 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1u1f s TYR 195 Cb -0.05 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.92 1u1f s TYR 195 CO 0.05 -0.13 0.00 -0.85 -1.11 0.00 0.00 175.55 173.50 1u1f n GLU 196 N 3.48 0.00 0.00 -0.62 -0.00 -0.72 -2.63 120.64 120.15 1u1f n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1u1f n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1u1f n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1f n MET 197 N 0.00 0.33 0.00 3.44 2.81 -1.26 -0.44 117.12 122.00 1u1f n MET 197 Ca 0.00 -0.54 0.00 0.00 -1.81 0.00 0.00 57.70 55.35 1u1f n MET 197 Cb 0.00 -0.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 1u1f n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1f n GLU 198 N -0.10 2.51 -0.34 0.03 4.71 -1.26 -3.49 120.64 122.70 1u1f n GLU 198 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.14 1u1f n GLU 198 Cb 0.25 -0.74 0.14 0.00 -1.01 0.00 0.00 31.44 30.08 1u1f n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1f h SER 199 N 0.00 1.09 -0.44 1.62 4.64 -1.94 -2.01 113.55 116.50 1u1f h SER 199 Ca 0.00 -0.03 0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1u1f h SER 199 Cb 0.24 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 1u1f h SER 199 CO 0.00 0.78 0.26 0.00 -0.87 0.00 0.00 176.83 177.00 1u1f h ALA 200 N 1.41 0.56 0.28 5.18 0.00 -1.87 0.16 119.26 124.97 1u1f h ALA 200 Ca 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1u1f h ALA 200 Cb -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1u1f h ALA 200 CO -0.08 -0.06 -0.13 1.15 0.00 0.00 0.00 179.25 180.13 1u1f h THR 201 N 0.52 0.77 -0.02 0.00 2.02 -1.85 -1.99 112.91 112.36 1u1f h THR 201 Ca 0.18 -0.49 0.03 0.00 0.77 0.00 0.00 66.41 66.90 1u1f h THR 201 Cb 0.02 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1u1f h THR 201 CO -0.08 0.10 -0.22 0.25 0.37 0.00 0.00 175.52 175.93 1u1f h LEU 202 N -0.63 -0.66 -0.57 2.58 5.85 -1.21 -0.76 115.31 119.91 1u1f h LEU 202 Ca -0.04 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1u1f h LEU 202 Cb 0.45 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1u1f h LEU 202 CO 0.06 -0.29 0.01 -0.07 -0.34 0.00 0.00 178.44 177.81 1u1f h LEU 203 N -0.34 0.97 -0.05 2.25 3.38 -0.76 -1.86 115.31 118.89 1u1f h LEU 203 Ca 0.07 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1u1f h LEU 203 Cb 0.43 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1u1f h LEU 203 CO -0.21 1.03 0.00 0.74 0.09 0.00 0.00 178.44 180.10 1u1f h THR 204 N 0.88 1.23 0.00 0.22 2.02 -1.25 -1.35 112.91 114.66 1u1f h THR 204 Ca 0.16 -0.71 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 1u1f h THR 204 Cb 0.53 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1u1f h THR 204 CO 0.03 0.19 -0.33 0.00 0.37 0.00 0.00 175.52 175.79 1u1f h MET 205 N -0.18 0.00 0.10 6.66 -0.00 -1.09 -2.17 114.93 118.25 1u1f h MET 205 Ca 0.02 0.00 -0.13 0.00 -0.00 0.00 0.00 59.70 59.58 1u1f h MET 205 Cb 0.31 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.92 1u1f h MET 205 CO 0.00 0.33 -0.60 0.00 -0.00 0.00 0.00 176.91 176.64 1u1f h ALA 207 N 0.05 1.25 -0.35 0.00 0.00 -1.19 0.21 119.26 119.23 1u1f h ALA 207 Ca -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1u1f h ALA 207 Cb 1.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1u1f h ALA 207 CO 0.10 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 1u1f n SER 208 N -3.63 3.03 -0.17 0.00 3.41 -0.82 -4.28 113.62 111.16 1u1f n SER 208 Ca -0.02 -1.93 0.02 0.00 -0.26 0.00 0.00 58.87 56.68 1u1f n SER 208 Cb 0.27 -0.22 0.02 0.00 -0.26 0.00 0.00 64.21 64.02 1u1f n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1f n GLN 209 N 1.21 0.72 -1.72 4.33 6.02 -0.88 -5.01 117.38 122.04 1u1f n GLN 209 Ca 0.19 -1.15 -0.09 0.00 -0.01 0.00 0.00 57.00 55.94 1u1f n GLN 209 Cb 0.54 -0.74 -0.02 0.00 1.02 0.00 0.00 30.24 31.04 1u1f n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1f n GLY 210 N -0.31 0.52 3.65 1.08 0.00 -1.00 -5.03 105.19 104.11 1u1f n GLY 210 Ca 0.02 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1u1f n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1f s LEU 211 N -2.27 3.41 -0.05 0.99 1.43 0.01 -5.05 118.68 117.15 1u1f s LEU 211 Ca 0.00 -0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 52.86 1u1f s LEU 211 Cb 0.00 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1u1f s LEU 211 CO 0.00 0.30 0.62 -0.13 0.23 0.00 0.00 176.35 177.36 1u1f s ARG 212 N -1.39 4.38 0.00 1.70 0.52 -0.21 -3.84 118.95 120.10 1u1f s ARG 212 Ca 0.18 0.74 0.01 0.00 -0.52 0.00 0.00 55.73 56.14 1u1f s ARG 212 Cb -0.11 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 1u1f s ARG 212 CO 0.08 0.19 -0.04 0.00 0.02 0.00 0.00 175.30 175.55 1u1f s ALA 213 N 0.40 0.34 0.12 2.13 0.00 -1.26 -0.14 121.76 123.36 1u1f s ALA 213 Ca 0.33 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.10 1u1f s ALA 213 Cb -0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1u1f s ALA 213 CO 0.16 0.06 -0.12 0.20 0.00 0.00 0.00 175.76 176.06 1u1f s GLY 214 N -0.28 1.01 -0.04 0.00 0.00 -0.12 -0.41 107.32 107.47 1u1f s GLY 214 Ca -0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 44.72 43.42 1u1f s GLY 214 CO -0.00 -1.35 0.03 -0.29 0.00 0.00 0.00 173.10 171.49 1u1f s MET 215 N -2.83 0.13 0.02 2.90 1.75 -1.26 -1.08 119.30 118.94 1u1f s MET 215 Ca 0.09 0.24 0.02 0.00 -1.25 0.00 0.00 55.69 54.78 1u1f s MET 215 Cb -0.03 -0.55 -0.02 0.00 2.84 0.00 0.00 34.83 37.07 1u1f s MET 215 CO 0.02 -0.26 -0.06 0.54 -0.65 0.00 0.00 175.02 174.61 1u1f s VAL 216 N 1.73 0.43 -0.05 10.11 0.11 -0.36 -1.67 120.40 130.70 1u1f s VAL 216 Ca -0.00 -0.72 -0.12 0.00 -2.93 0.00 0.00 61.98 58.21 1u1f s VAL 216 Cb -0.13 -0.45 0.02 0.00 -1.53 0.00 0.00 36.38 34.29 1u1f s VAL 216 CO -0.03 -0.21 0.29 0.00 -3.33 0.00 0.00 175.10 171.82 1u1f s ALA 217 N -0.89 -0.72 -0.14 1.54 0.00 -0.31 -1.33 121.76 119.92 1u1f s ALA 217 Ca -0.06 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 1u1f s ALA 217 Cb -0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 1u1f s ALA 217 CO 0.00 -0.21 0.26 0.20 0.00 0.00 0.00 175.76 176.01 1u1f s GLY 218 N -0.82 2.22 -0.33 0.00 0.00 -0.61 -0.42 107.32 107.35 1u1f s GLY 218 Ca -0.09 -0.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.86 1u1f s GLY 218 CO 0.03 0.22 1.14 0.14 0.00 0.00 0.00 173.10 174.62 1u1f s VAL 219 N -0.02 4.39 -0.60 1.40 1.01 0.10 -2.03 120.40 124.65 1u1f s VAL 219 Ca 0.16 1.59 0.11 0.00 0.00 0.00 0.00 61.98 63.84 1u1f s VAL 219 Cb -0.13 -4.37 -0.10 0.00 0.00 0.00 0.00 36.38 31.78 1u1f s VAL 219 CO 0.04 -0.52 0.50 2.30 0.00 0.00 0.00 175.10 177.42 1u1f n ILE 220 N 6.02 0.00 -3.72 2.22 -5.35 -0.98 -0.41 119.36 117.14 1u1f n ILE 220 Ca 0.13 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.22 1u1f n ILE 220 Cb 0.47 1.02 -0.10 0.00 -1.74 0.00 0.00 39.64 39.29 1u1f n ILE 220 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1u1f s VAL 221 N -1.95 -0.00 -0.27 7.28 1.01 -1.23 -4.40 120.40 120.83 1u1f s VAL 221 Ca 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 1u1f s VAL 221 Cb 0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 1u1f s VAL 221 CO 0.42 0.01 0.06 0.21 0.00 0.00 0.00 175.10 175.80 1u1f s ASN 222 N 0.39 5.04 0.47 3.32 3.84 -1.26 -0.16 114.94 126.57 1u1f s ASN 222 Ca -0.01 -0.46 0.32 0.00 0.21 0.00 0.00 52.86 52.91 1u1f s ASN 222 Cb -0.04 -1.88 1.47 0.00 -0.55 0.00 0.00 41.25 40.25 1u1f s ASN 222 CO -0.01 -0.11 1.95 0.03 -2.79 0.00 0.00 177.10 176.17 1u1f h ARG 223 N 8.23 0.00 -0.00 0.43 2.47 -0.90 -1.51 114.38 123.10 1u1f h ARG 223 Ca -0.35 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 1u1f h ARG 223 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1u1f h ARG 223 CO 0.59 0.00 -0.42 0.25 0.56 0.00 0.00 179.97 180.95 1u1f n THR 224 N -2.75 0.00 -0.01 2.04 -2.24 -1.26 -4.61 114.28 105.46 1u1f n THR 224 Ca -0.00 -0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1u1f n THR 224 Cb 0.20 0.14 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 1u1f n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1f n GLN 225 N -1.50 0.11 -3.91 -0.78 6.02 -0.64 -5.09 117.38 111.59 1u1f n GLN 225 Ca 0.06 0.05 -0.10 0.00 -0.01 0.00 0.00 57.00 56.99 1u1f n GLN 225 Cb 0.34 -0.56 -0.11 0.00 1.02 0.00 0.00 30.24 30.93 1u1f n GLN 225 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1u1f s GLN 226 N -1.70 0.35 -0.17 -1.09 -0.44 -0.77 -5.08 119.66 110.77 1u1f s GLN 226 Ca -0.06 -0.41 -0.17 0.00 -2.50 0.00 0.00 55.36 52.21 1u1f s GLN 226 Cb 0.01 0.14 -0.14 0.00 -1.64 0.00 0.00 33.01 31.38 1u1f s GLN 226 CO 0.09 -0.07 0.17 1.49 0.50 0.00 0.00 175.29 177.47 1u1f h GLU 227 N 4.69 0.00 -6.33 1.67 4.57 -1.91 -3.38 114.58 113.90 1u1f h GLU 227 Ca -0.30 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.33 1u1f h GLU 227 Cb 1.20 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.76 1u1f h GLU 227 CO 0.42 0.61 0.28 0.42 -1.18 0.00 0.00 179.01 179.56 1u1f s ILE 228 N -2.21 4.86 0.56 2.32 1.01 -1.26 -4.99 121.20 121.49 1u1f s ILE 228 Ca -0.20 1.88 -0.18 0.00 0.00 0.00 0.00 60.65 62.15 1u1f s ILE 228 Cb 0.03 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.21 1u1f s ILE 228 CO 0.44 0.22 1.10 -2.84 0.00 0.00 0.00 174.94 173.85 1u1f s PRO 229 N 0.76 3.33 0.06 2.79 0.02 -1.26 -5.02 135.00 135.68 1u1f s PRO 229 Ca 0.47 1.49 -0.28 0.00 0.02 0.00 0.00 61.00 62.70 1u1f s PRO 229 Cb -0.20 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 32.25 1u1f s PRO 229 CO 0.25 -0.84 0.88 1.21 -0.33 0.00 0.00 177.00 178.18 1u1f s ASN 230 N -2.05 7.35 -0.34 2.53 3.84 -1.26 -4.97 114.94 120.04 1u1f s ASN 230 Ca 0.70 1.62 -0.02 0.00 0.21 0.00 0.00 52.86 55.37 1u1f s ASN 230 Cb -0.21 -2.53 0.16 0.00 -0.55 0.00 0.00 41.25 38.12 1u1f s ASN 230 CO 0.29 -0.07 2.24 0.00 -2.79 0.00 0.00 177.10 176.77 1u1f n ALA 231 N 3.04 5.46 0.00 1.71 0.00 -1.26 -2.72 120.51 126.74 1u1f n ALA 231 Ca 0.01 -1.98 0.00 0.00 0.00 0.00 0.00 53.44 51.47 1u1f n ALA 231 Cb 0.50 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1u1f n ALA 231 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1u1f n GLU 232 N 0.54 0.00 0.08 0.00 0.28 -1.26 -4.88 120.64 115.40 1u1f n GLU 232 Ca 0.35 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.26 1u1f n GLU 232 Cb 0.58 -0.28 -0.08 0.00 1.43 0.00 0.00 31.44 33.09 1u1f n GLU 232 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 1u1f h THR 233 N 0.00 1.61 -0.88 3.84 1.35 -2.00 -3.18 112.91 113.65 1u1f h THR 233 Ca 0.00 -3.08 0.08 0.00 -0.55 0.00 0.00 66.41 62.87 1u1f h THR 233 Cb 0.00 2.73 -0.06 0.00 -1.73 0.00 0.00 68.15 69.09 1u1f h THR 233 CO 0.00 0.89 0.57 -0.03 -0.25 0.00 0.00 175.52 176.70 1u1f h MET 234 N 0.04 0.89 -0.19 4.72 -1.53 -1.85 0.44 114.93 117.45 1u1f h MET 234 Ca -0.04 -0.05 -0.06 0.00 -3.44 0.00 0.00 59.70 56.10 1u1f h MET 234 Cb 1.70 -0.20 -0.00 0.00 -0.55 0.00 0.00 31.60 32.54 1u1f h MET 234 CO 0.14 0.59 -0.13 -0.22 0.14 0.00 0.00 176.91 177.43 1u1f h LYS 235 N 0.92 0.42 -0.46 0.39 3.11 -1.84 -2.46 116.57 116.65 1u1f h LYS 235 Ca 0.39 -0.20 -0.05 0.00 -2.81 0.00 0.00 60.65 57.98 1u1f h LYS 235 Cb 0.32 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.53 1u1f h LYS 235 CO -0.16 0.74 0.07 1.96 -2.81 0.00 0.00 179.45 179.26 1u1f h GLN 236 N 0.10 0.76 -0.20 1.90 4.20 -1.38 -1.92 115.11 118.57 1u1f h GLN 236 Ca 0.04 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1u1f h GLN 236 Cb 0.64 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1u1f h GLN 236 CO 0.04 0.78 0.11 1.15 -0.67 0.00 0.00 178.83 180.23 1u1f h THR 237 N 0.63 1.12 -0.88 -0.54 2.02 -0.21 0.37 112.91 115.42 1u1f h THR 237 Ca 0.14 -0.32 0.04 0.00 0.77 0.00 0.00 66.41 67.04 1u1f h THR 237 Cb 0.39 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 1u1f h THR 237 CO 0.01 0.11 0.56 -0.08 0.37 0.00 0.00 175.52 176.49 1u1f h GLU 238 N 0.21 1.05 -0.44 6.66 4.81 -1.42 -0.81 114.58 124.65 1u1f h GLU 238 Ca 0.07 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1u1f h GLU 238 Cb 0.08 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1u1f h GLU 238 CO -0.01 0.70 0.20 0.77 -0.73 0.00 0.00 179.01 179.94 1u1f h SER 239 N 1.09 0.58 0.10 1.04 0.02 -1.00 -1.58 113.55 113.80 1u1f h SER 239 Ca 0.35 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1u1f h SER 239 Cb 0.03 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1u1f h SER 239 CO -0.12 0.55 -0.13 -0.74 -1.14 0.00 0.00 176.83 175.25 1u1f h HIS 240 N 0.56 -0.33 -0.75 3.45 2.76 -0.41 -2.05 115.15 118.38 1u1f h HIS 240 Ca 0.15 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1u1f h HIS 240 Cb 0.14 0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 1u1f h HIS 240 CO -0.01 -0.20 0.31 0.00 -1.30 0.00 0.00 177.93 176.74 1u1f h ALA 241 N 0.60 1.14 -0.62 5.26 0.00 -1.13 -2.46 119.26 122.05 1u1f h ALA 241 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1u1f h ALA 241 Cb 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1u1f h ALA 241 CO -0.05 0.63 0.23 0.28 0.00 0.00 0.00 179.25 180.33 1u1f h VAL 242 N 1.08 1.22 -0.15 0.00 2.07 -1.15 -0.98 116.25 118.35 1u1f h VAL 242 Ca 0.25 -0.72 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 1u1f h VAL 242 Cb 0.18 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1u1f h VAL 242 CO -0.02 0.29 -0.35 0.11 0.02 0.00 0.00 177.57 177.61 1u1f h LYS 243 N 0.90 0.30 -0.12 1.57 1.57 -0.99 -2.30 116.57 117.50 1u1f h LYS 243 Ca 0.21 -0.13 -0.16 0.00 -1.87 0.00 0.00 60.65 58.70 1u1f h LYS 243 Cb 0.20 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1u1f h LYS 243 CO -0.02 0.62 -0.56 0.82 -0.57 0.00 0.00 179.45 179.74 1u1f h ILE 244 N 0.26 1.35 -0.41 1.86 2.04 -0.99 -2.68 117.51 118.93 1u1f h ILE 244 Ca 0.03 -1.85 -0.08 0.00 1.00 0.00 0.00 64.86 63.96 1u1f h ILE 244 Cb 0.74 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 1u1f h ILE 244 CO 0.06 0.56 -0.09 1.62 0.00 0.00 0.00 178.15 180.30 1u1f h VAL 245 N 0.21 1.25 -0.35 1.67 3.04 -1.14 0.32 116.25 121.25 1u1f h VAL 245 Ca -0.04 -1.10 -0.14 0.00 -1.01 0.00 0.00 66.70 64.41 1u1f h VAL 245 Cb 1.20 1.03 -0.01 0.00 -2.01 0.00 0.00 31.29 31.51 1u1f h VAL 245 CO 0.12 0.38 -0.34 0.58 -1.01 0.00 0.00 177.57 177.29 1u1f h VAL 246 N 0.65 1.28 -0.25 1.51 2.07 -1.48 -0.92 116.25 119.11 1u1f h VAL 246 Ca 0.12 -1.51 -0.12 0.00 0.82 0.00 0.00 66.70 66.01 1u1f h VAL 246 Cb 0.54 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1u1f h VAL 246 CO 0.03 0.50 -0.33 -0.08 0.02 0.00 0.00 177.57 177.71 1u1f h GLU 247 N 0.63 0.53 -0.50 1.57 4.57 -1.35 -2.14 114.58 117.90 1u1f h GLU 247 Ca 0.06 -0.24 -0.09 0.00 -1.18 0.00 0.00 59.36 57.91 1u1f h GLU 247 Cb 0.93 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.48 1u1f h GLU 247 CO 0.09 0.80 -0.05 0.00 -1.18 0.00 0.00 179.01 178.66 1u1f h ALA 248 N 1.19 0.96 -0.48 2.92 0.00 -0.80 -2.68 119.26 120.37 1u1f h ALA 248 Ca 0.05 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1u1f h ALA 248 Cb 0.79 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1u1f h ALA 248 CO 0.06 0.62 0.14 0.00 0.00 0.00 0.00 179.25 180.08 1u1f h ALA 249 N 1.13 1.34 -0.62 0.00 0.00 -0.95 -2.67 119.26 117.50 1u1f h ALA 249 Ca 0.14 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1u1f h ALA 249 Cb 0.56 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1u1f h ALA 249 CO 0.03 0.47 0.41 0.00 0.00 0.00 0.00 179.25 180.17 1u1f h ARG 250 N 0.70 0.76 0.00 0.00 3.08 -1.05 -2.27 114.38 115.61 1u1f h ARG 250 Ca 0.16 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1u1f h ARG 250 Cb 0.22 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1u1f h ARG 250 CO -0.01 0.50 -0.13 0.00 -1.07 0.00 0.00 179.97 179.27 1u1f h ARG 251 N 0.78 0.00 -0.47 0.04 3.08 -1.35 -3.31 114.38 113.15 1u1f h ARG 251 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1u1f h ARG 251 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1u1f h ARG 251 CO -0.06 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.12 1u1f n LEU 252 N -2.71 3.43 -0.02 3.04 4.77 -0.87 -5.07 117.00 119.57 1u1f n LEU 252 Ca 0.04 -1.72 0.16 0.00 -0.03 0.00 0.00 56.01 54.46 1u1f n LEU 252 Cb 0.49 -0.31 0.93 0.00 -2.33 0.00 0.00 43.42 42.20 1u1f n LEU 252 CO 0.33 0.80 1.10 0.18 -1.33 0.00 0.00 177.39 178.47