#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1f n ASP 5 N 0.00 0.47 -4.36 -3.46 8.00 -0.46 -4.92 116.55 111.83 1u1f n ASP 5 Ca 0.00 -0.13 -0.19 0.00 0.71 0.00 0.00 54.79 55.18 1u1f n ASP 5 Cb 0.00 0.17 -0.10 0.00 -0.02 0.00 0.00 41.12 41.17 1u1f n ASP 5 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1u1f s VAL 6 N -3.02 1.62 0.23 2.53 -7.23 -1.24 -5.06 120.40 108.23 1u1f s VAL 6 Ca 0.11 -2.17 0.08 0.00 -1.81 0.00 0.00 61.98 58.19 1u1f s VAL 6 Cb 0.17 -2.15 -0.07 0.00 0.56 0.00 0.00 36.38 34.89 1u1f s VAL 6 CO 0.69 -0.52 1.53 -0.26 -0.31 0.00 0.00 175.10 176.22 1u1f h PHE 7 N 2.50 0.06 0.00 2.82 0.04 -1.95 -3.41 116.94 117.01 1u1f h PHE 7 Ca -0.38 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1u1f h PHE 7 Cb 1.22 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.36 1u1f h PHE 7 CO 0.69 0.74 -0.82 0.72 -0.60 0.00 0.00 178.31 179.04 1u1f n HIS 8 N -3.72 0.00 0.22 -0.55 8.25 -1.26 -4.82 115.22 113.34 1u1f n HIS 8 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.56 1u1f n HIS 8 Cb 0.69 0.00 0.40 0.00 1.12 0.00 0.00 29.99 32.20 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 -0.78 2.41 3.38 -1.91 -3.43 115.31 114.97 1u1f h LEU 9 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1u1f h LEU 9 Cb 0.82 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.64 1u1f h LEU 9 CO 0.00 0.17 -0.39 0.61 0.09 0.00 0.00 178.44 178.92 1u1f n GLY 10 N 0.45 0.08 3.20 0.83 0.00 -1.26 -4.68 105.19 103.81 1u1f n GLY 10 Ca 0.01 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.57 2.26 0.41 0.99 1.43 -1.26 -4.77 118.68 113.16 1u1f s LEU 11 Ca 0.32 -0.60 0.08 0.00 -1.03 0.00 0.00 54.13 52.90 1u1f s LEU 11 Cb -0.14 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1u1f s LEU 11 CO 0.40 -0.01 0.26 0.42 0.23 0.00 0.00 176.35 177.65 1u1f s THR 12 N -1.14 2.51 0.37 5.49 -4.23 -1.26 -1.35 115.64 116.03 1u1f s THR 12 Ca 0.01 -1.55 0.06 0.00 -1.18 0.00 0.00 61.69 59.03 1u1f s THR 12 Cb -0.10 -3.00 0.21 0.00 1.34 0.00 0.00 72.50 70.96 1u1f s THR 12 CO 0.03 -0.01 1.97 0.11 -0.54 0.00 0.00 174.62 176.17 1u1f h LYS 13 N 1.27 0.53 -0.78 3.99 1.57 -1.97 -2.81 116.57 118.38 1u1f h LYS 13 Ca -0.42 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.32 1u1f h LYS 13 Cb 1.26 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.42 1u1f h LYS 13 CO 0.64 0.46 0.49 -0.91 -0.57 0.00 0.00 179.45 179.56 1u1f h ASN 14 N 0.53 0.80 -0.61 0.86 2.35 -1.96 -2.75 115.58 114.81 1u1f h ASN 14 Ca 0.13 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.96 1u1f h ASN 14 Cb 0.14 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 1u1f h ASN 14 CO -0.01 0.55 0.41 0.44 -1.65 0.00 0.00 177.43 177.16 1u1f h ASP 15 N 0.95 0.46 0.94 5.81 3.32 -1.91 -1.58 116.42 124.42 1u1f h ASP 15 Ca 0.31 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.27 1u1f h ASP 15 Cb 0.03 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1u1f h ASP 15 CO -0.12 0.29 -0.47 -0.07 -1.72 0.00 0.00 179.24 177.15 1u1f h LEU 16 N 0.52 0.00 2.45 1.55 3.38 -1.57 -3.48 115.31 118.17 1u1f h LEU 16 Ca 0.27 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.83 1u1f h LEU 16 Cb 0.39 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1u1f h LEU 16 CO -0.08 0.47 -0.49 0.00 0.09 0.00 0.00 178.44 178.43 1u1f n GLN 17 N -3.50 -1.64 -0.27 1.13 6.02 -0.59 -2.17 117.38 116.36 1u1f n GLN 17 Ca 0.00 1.05 0.00 0.00 -0.01 0.00 0.00 57.00 58.04 1u1f n GLN 17 Cb 0.59 -5.64 0.00 0.00 1.02 0.00 0.00 30.24 26.21 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 -0.84 0.86 3.77 1.08 0.00 -1.26 -4.87 105.19 103.93 1u1f n GLY 18 Ca -0.23 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 4.61 0.00 -0.92 -4.93 121.76 122.06 1u1f s ALA 19 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1u1f s ALA 19 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1u1f s ALA 19 CO 0.00 -0.78 0.00 0.25 0.00 0.00 0.00 175.76 175.23 1u1f n THR 20 N 1.02 0.00 -4.89 0.00 -2.24 -1.26 -4.24 114.28 102.67 1u1f n THR 20 Ca 0.02 -0.44 -0.33 0.00 -2.27 0.00 0.00 64.05 61.03 1u1f n THR 20 Cb 0.41 0.97 -0.14 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.92 2.68 -0.05 3.22 0.20 -1.26 -0.09 118.68 121.46 1u1f s LEU 21 Ca 0.00 -0.26 0.03 0.00 0.69 0.00 0.00 54.13 54.59 1u1f s LEU 21 Cb 0.00 -1.56 0.01 0.00 -0.43 0.00 0.00 46.19 44.21 1u1f s LEU 21 CO 0.00 0.28 -0.13 0.00 -0.29 0.00 0.00 176.35 176.21 1u1f s ALA 22 N -0.35 1.29 -0.19 5.97 0.00 0.54 -1.97 121.76 127.04 1u1f s ALA 22 Ca 0.03 -0.50 -0.17 0.00 0.00 0.00 0.00 51.96 51.33 1u1f s ALA 22 Cb -0.12 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1u1f s ALA 22 CO 0.02 0.17 0.45 0.42 0.00 0.00 0.00 175.76 176.83 1u1f s ILE 23 N 0.38 5.16 -0.51 0.00 1.01 0.94 -0.86 121.20 127.33 1u1f s ILE 23 Ca -0.09 0.83 0.04 0.00 0.00 0.00 0.00 60.65 61.42 1u1f s ILE 23 Cb -0.13 -3.78 0.13 0.00 0.01 0.00 0.00 42.46 38.69 1u1f s ILE 23 CO 0.03 0.23 0.26 0.68 0.00 0.00 0.00 174.94 176.15 1u1f s VAL 24 N 1.33 2.44 0.78 2.92 -7.23 0.92 -1.46 120.40 120.11 1u1f s VAL 24 Ca 0.22 -3.25 -0.12 0.00 -1.81 0.00 0.00 61.98 57.02 1u1f s VAL 24 Cb -0.15 -2.69 0.06 0.00 0.56 0.00 0.00 36.38 34.16 1u1f s VAL 24 CO 0.09 -0.82 1.13 -2.16 -0.31 0.00 0.00 175.10 173.03 1u1f s PRO 25 N -0.24 2.20 -0.03 4.82 0.04 -1.24 -3.54 135.00 137.02 1u1f s PRO 25 Ca 0.17 0.36 -0.02 0.00 0.04 0.00 0.00 61.00 61.55 1u1f s PRO 25 Cb -0.25 -1.96 -0.27 0.00 0.04 0.00 0.00 34.50 32.06 1u1f s PRO 25 CO -0.00 -1.48 0.73 0.78 0.04 0.00 0.00 177.00 177.07 1u1f h GLY 26 N -0.97 0.26 -5.95 0.56 0.00 -1.84 -0.06 103.07 95.07 1u1f h GLY 26 Ca -0.46 -0.66 -0.60 0.00 0.00 0.00 0.00 47.33 45.61 1u1f h GLY 26 CO 0.63 0.58 0.40 -0.35 0.00 0.00 0.00 176.54 177.80 1u1f s ASP 27 N -6.88 6.77 0.48 0.19 -1.08 -1.26 -1.72 116.67 113.17 1u1f s ASP 27 Ca -0.11 0.95 0.23 0.00 -0.52 0.00 0.00 52.55 53.10 1u1f s ASP 27 Cb 0.07 -2.41 1.28 0.00 -1.46 0.00 0.00 42.92 40.39 1u1f s ASP 27 CO 0.83 -0.49 1.91 -0.65 0.52 0.00 0.00 175.17 177.30 1u1f h PRO 28 N 7.74 0.18 0.00 4.34 0.11 -1.89 -1.89 132.00 140.59 1u1f h PRO 28 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1u1f h PRO 28 Cb 1.10 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1u1f h PRO 28 CO 0.85 0.12 0.00 -0.44 -0.21 0.00 0.00 178.00 178.32 1u1f h ASP 29 N 0.18 0.00 1.70 -2.05 3.45 -1.96 -3.07 116.42 114.67 1u1f h ASP 29 Ca 0.38 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.84 1u1f h ASP 29 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1u1f h ASP 29 CO -0.07 0.00 0.00 -0.09 -1.57 0.00 0.00 179.24 177.51 1u1f h ARG 30 N 0.00 0.00 -0.10 3.56 2.43 -1.75 -3.37 114.38 115.15 1u1f h ARG 30 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1u1f h ARG 30 Cb 0.75 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1u1f h ARG 30 CO 0.00 0.00 0.01 0.28 -1.51 0.00 0.00 179.97 178.75 1u1f h VAL 31 N 0.00 0.94 -0.62 0.20 2.07 -1.61 -1.82 116.25 115.41 1u1f h VAL 31 Ca 0.00 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1u1f h VAL 31 Cb 0.85 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1u1f h VAL 31 CO 0.00 0.01 0.17 -0.08 0.02 0.00 0.00 177.57 177.69 1u1f h GLU 32 N 0.04 0.96 -0.50 1.57 4.81 -1.79 -2.36 114.58 117.31 1u1f h GLU 32 Ca 0.05 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 1u1f h GLU 32 Cb 0.05 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1u1f h GLU 32 CO -0.07 0.84 0.15 0.87 -0.73 0.00 0.00 179.01 180.07 1u1f h LYS 33 N 0.92 0.74 -0.09 1.92 1.57 -1.64 -0.90 116.57 119.10 1u1f h LYS 33 Ca 0.20 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1u1f h LYS 33 Cb 0.30 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1u1f h LYS 33 CO -0.00 0.65 -0.37 0.82 -0.57 0.00 0.00 179.45 179.97 1u1f h ILE 34 N 0.72 1.40 -0.06 1.86 2.04 -1.17 -3.29 117.51 119.01 1u1f h ILE 34 Ca 0.17 -1.74 -0.05 0.00 1.00 0.00 0.00 64.86 64.23 1u1f h ILE 34 Cb 0.22 2.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1u1f h ILE 34 CO -0.01 0.51 -0.21 0.00 0.00 0.00 0.00 178.15 178.44 1u1f h ALA 35 N 0.45 1.54 0.00 1.87 0.00 -1.20 -2.45 119.26 119.47 1u1f h ALA 35 Ca -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1u1f h ALA 35 Cb 1.01 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1u1f h ALA 35 CO 0.08 0.34 -0.07 0.00 0.00 0.00 0.00 179.25 179.59 1u1f h ALA 36 N 1.69 1.09 0.00 0.00 0.00 -1.23 -1.96 119.26 118.85 1u1f h ALA 36 Ca 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1u1f h ALA 36 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1u1f h ALA 36 CO 0.03 0.09 -0.21 -0.07 0.00 0.00 0.00 179.25 179.09 1u1f h LEU 37 N 0.00 0.00-10.50 0.00 -0.00 -1.52 -3.46 115.31 99.84 1u1f h LEU 37 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.35 1u1f h LEU 37 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 1u1f h LEU 37 CO 0.01 0.21 -0.20 -0.04 -0.00 0.00 0.00 178.44 178.42 1u1f s MET 38 N -3.66 2.30 0.31 1.13 -1.94 -0.74 -5.12 119.30 111.59 1u1f s MET 38 Ca 0.01 -1.80 -0.11 0.00 -1.71 0.00 0.00 55.69 52.08 1u1f s MET 38 Cb 0.10 -2.40 -0.07 0.00 2.01 0.00 0.00 34.83 34.46 1u1f s MET 38 CO 0.63 -0.72 0.67 -0.51 -0.01 0.00 0.00 175.02 175.08 1u1f s ASP 39 N -4.48 6.64 -1.17 3.03 1.01 -0.17 -4.48 116.67 117.06 1u1f s ASP 39 Ca 0.49 1.08 -0.29 0.00 0.71 0.00 0.00 52.55 54.55 1u1f s ASP 39 Cb -0.04 -2.29 0.03 0.00 1.01 0.00 0.00 42.92 41.62 1u1f s ASP 39 CO 0.31 -0.21 0.72 0.29 0.21 0.00 0.00 175.17 176.48 1u1f n LYS 40 N -0.57 -0.61 -2.54 8.23 5.02 -1.26 0.40 118.16 126.83 1u1f n LYS 40 Ca 0.02 0.24 -0.41 0.00 -2.02 0.00 0.00 58.31 56.14 1u1f n LYS 40 Cb 0.53 -3.03 -0.04 0.00 -0.02 0.00 0.00 35.03 32.48 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 -6.82 4.60 -0.01 1.97 0.04 -1.26 -4.31 135.00 129.21 1u1f s PRO 41 Ca 0.46 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 1u1f s PRO 41 Cb -0.23 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1u1f s PRO 41 CO 0.93 0.08 0.02 0.54 0.04 0.00 0.00 177.00 178.62 1u1f s VAL 42 N -0.16 -0.00 0.10 -0.36 0.11 0.71 -5.00 120.40 115.81 1u1f s VAL 42 Ca 0.49 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.24 1u1f s VAL 42 Cb -0.29 -0.04 -0.06 0.00 -1.53 0.00 0.00 36.38 34.46 1u1f s VAL 42 CO 0.34 0.00 1.00 -0.75 -3.33 0.00 0.00 175.10 172.36 1u1f s LYS 43 N 0.02 4.65 -0.17 1.54 2.20 -1.26 -0.39 119.74 126.33 1u1f s LYS 43 Ca -0.00 1.50 -0.12 0.00 -0.36 0.00 0.00 55.97 57.00 1u1f s LYS 43 Cb -0.00 -3.37 -0.07 0.00 -1.51 0.00 0.00 37.83 32.87 1u1f s LYS 43 CO 0.00 0.13 -0.27 1.28 -0.36 0.00 0.00 175.35 176.13 1u1f n LEU 44 N 2.95 1.56 -3.48 5.43 4.77 -0.31 -4.90 117.00 123.02 1u1f n LEU 44 Ca 0.03 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 1u1f n LEU 44 Cb 0.49 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1u1f n LEU 44 CO 0.52 0.13 0.39 0.00 -1.33 0.00 0.00 177.39 177.10 1u1f s ALA 45 N -2.49 -1.61 -0.22 -1.18 0.00 -1.13 -5.01 121.76 110.12 1u1f s ALA 45 Ca -0.26 0.79 -0.04 0.00 0.00 0.00 0.00 51.96 52.45 1u1f s ALA 45 Cb 0.08 0.50 0.09 0.00 0.00 0.00 0.00 23.12 23.80 1u1f s ALA 45 CO 0.35 -0.59 0.19 0.45 0.00 0.00 0.00 175.76 176.16 1u1f s SER 46 N -2.09 1.83 -0.04 0.00 0.15 -1.26 -0.43 113.70 111.86 1u1f s SER 46 Ca -0.04 -0.48 -0.00 0.00 0.70 0.00 0.00 55.95 56.13 1u1f s SER 46 Cb -0.01 0.20 0.03 0.00 -1.71 0.00 0.00 66.02 64.53 1u1f s SER 46 CO -0.03 -0.35 0.01 -1.00 1.20 0.00 0.00 173.24 173.06 1u1f s HIS 47 N 2.27 0.38 0.00 3.44 3.76 -0.21 -5.00 115.29 119.93 1u1f s HIS 47 Ca 0.06 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.97 1u1f s HIS 47 Cb -0.16 -0.52 0.00 0.00 1.11 0.00 0.00 32.58 33.01 1u1f s HIS 47 CO -0.17 -0.19 0.00 0.54 -0.85 0.00 0.00 174.74 174.08 1u1f n ARG 48 N 4.54 0.00 -0.04 1.40 1.74 -1.26 -1.10 116.66 121.93 1u1f n ARG 48 Ca -0.18 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.01 1u1f n ARG 48 Cb 0.50 0.00 0.49 0.00 -1.02 0.00 0.00 32.46 32.43 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 1.47 -3.39 5.56 0.00 -1.26 -4.76 120.64 132.26 1u1f n GLU 49 Ca 0.00 -0.70 -0.44 0.00 0.00 0.00 0.00 57.16 56.02 1u1f n GLU 49 Cb 0.00 -1.39 -0.08 0.00 0.00 0.00 0.00 31.44 29.98 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 -1.89 3.25 -0.15 -1.84 0.40 -0.26 -4.16 117.98 113.32 1u1f s PHE 50 Ca 0.33 -0.97 -0.02 0.00 -0.60 0.00 0.00 56.93 55.67 1u1f s PHE 50 Cb 0.17 -3.20 -0.02 0.00 0.51 0.00 0.00 43.02 40.48 1u1f s PHE 50 CO 0.27 -0.81 -0.09 0.99 0.70 0.00 0.00 175.22 176.28 1u1f s THR 51 N 1.63 3.39 -0.08 0.64 2.01 -1.26 -1.04 115.64 120.92 1u1f s THR 51 Ca 0.04 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.54 1u1f s THR 51 Cb -0.25 -2.46 -0.00 0.00 0.01 0.00 0.00 72.50 69.81 1u1f s THR 51 CO 0.06 0.51 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.40 1u1f s THR 52 N 0.43 1.82 0.12 -0.82 2.01 0.43 -1.74 115.64 117.89 1u1f s THR 52 Ca -0.07 -0.90 0.10 0.00 0.31 0.00 0.00 61.69 61.13 1u1f s THR 52 Cb -0.15 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 1u1f s THR 52 CO 0.04 0.51 -0.24 0.26 -0.69 0.00 0.00 174.62 174.50 1u1f s TRP 53 N 0.26 2.04 -0.07 4.92 0.52 0.48 -1.17 118.94 125.93 1u1f s TRP 53 Ca -0.13 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.61 1u1f s TRP 53 Cb -0.16 -1.10 -0.02 0.00 -1.15 0.00 0.00 33.47 31.03 1u1f s TRP 53 CO 0.06 0.28 -0.13 0.50 0.02 0.00 0.00 176.95 177.68 1u1f s ARG 54 N -2.01 2.70 0.34 4.98 3.52 0.48 -0.66 118.95 128.30 1u1f s ARG 54 Ca 0.10 -0.66 0.07 0.00 -0.13 0.00 0.00 55.73 55.11 1u1f s ARG 54 Cb -0.10 -2.46 -0.03 0.00 -1.56 0.00 0.00 34.95 30.80 1u1f s ARG 54 CO 0.05 0.56 0.26 0.00 -0.81 0.00 0.00 175.30 175.37 1u1f s ALA 55 N -0.57 1.99 -0.12 6.12 0.00 0.13 -0.20 121.76 129.11 1u1f s ALA 55 Ca 0.08 -1.98 0.01 0.00 0.00 0.00 0.00 51.96 50.07 1u1f s ALA 55 Cb -0.12 1.41 0.02 0.00 0.00 0.00 0.00 23.12 24.43 1u1f s ALA 55 CO 0.01 -0.63 -0.15 -1.21 0.00 0.00 0.00 175.76 173.78 1u1f s GLU 56 N -3.47 2.26 -0.23 0.00 2.02 0.16 -0.35 118.70 119.10 1u1f s GLU 56 Ca 0.39 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.83 1u1f s GLU 56 Cb 0.02 -1.95 0.05 0.00 0.10 0.00 0.00 34.13 32.35 1u1f s GLU 56 CO 0.26 -0.10 -0.12 -1.17 0.02 0.00 0.00 175.26 174.16 1u1f s LEU 57 N 1.09 2.79 -1.37 1.80 2.96 0.97 -1.00 118.68 125.92 1u1f s LEU 57 Ca -0.04 -1.09 -0.07 0.00 -0.22 0.00 0.00 54.13 52.71 1u1f s LEU 57 Cb -0.14 -1.41 0.03 0.00 0.50 0.00 0.00 46.19 45.17 1u1f s LEU 57 CO -0.04 -0.15 0.97 0.47 -1.32 0.00 0.00 176.35 176.28 1u1f n ASP 58 N 4.56 -3.78 -0.42 3.68 10.43 -1.26 -2.01 116.55 127.75 1u1f n ASP 58 Ca -0.15 -0.70 -0.05 0.00 2.57 0.00 0.00 54.79 56.45 1u1f n ASP 58 Cb 0.45 -4.45 -0.02 0.00 1.84 0.00 0.00 41.12 38.94 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 -1.65 0.76 3.14 0.44 0.00 -1.26 -5.01 105.19 101.60 1u1f n GLY 59 Ca -0.11 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.00 1.82 0.26 1.61 1.02 -0.85 -5.11 119.74 116.48 1u1f s LYS 60 Ca 0.00 -0.62 -0.30 0.00 0.02 0.00 0.00 55.97 55.08 1u1f s LYS 60 Cb 0.00 -1.57 -0.10 0.00 -0.52 0.00 0.00 37.83 35.64 1u1f s LYS 60 CO 0.00 0.24 1.34 -1.25 -0.92 0.00 0.00 175.35 174.76 1u1f s PRO 61 N 0.05 4.35 0.01 -1.68 0.04 -1.26 -0.02 135.00 136.49 1u1f s PRO 61 Ca -0.04 2.17 0.02 0.00 0.04 0.00 0.00 61.00 63.19 1u1f s PRO 61 Cb -0.12 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 1u1f s PRO 61 CO 0.02 -0.26 -0.07 0.08 0.04 0.00 0.00 177.00 176.81 1u1f s VAL 62 N -0.38 0.51 -0.11 -0.36 1.01 0.53 -4.45 120.40 117.14 1u1f s VAL 62 Ca 0.54 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 1u1f s VAL 62 Cb -0.39 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1u1f s VAL 62 CO 0.45 -0.00 0.04 -0.63 0.00 0.00 0.00 175.10 174.95 1u1f s ILE 63 N -0.48 4.63 -0.16 2.22 -1.09 -0.83 -0.69 121.20 124.80 1u1f s ILE 63 Ca -0.01 -0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.31 1u1f s ILE 63 Cb -0.04 -2.99 0.01 0.00 -1.58 0.00 0.00 42.46 37.86 1u1f s ILE 63 CO -0.00 0.58 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.40 1u1f s VAL 64 N -0.67 2.12 -0.08 2.92 1.01 0.17 -0.04 120.40 125.83 1u1f s VAL 64 Ca 0.11 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1u1f s VAL 64 Cb -0.12 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.44 1u1f s VAL 64 CO 0.02 0.54 0.16 0.00 0.00 0.00 0.00 175.10 175.83 1u1f s SER 66 N 1.94 6.97 -0.08 0.00 1.04 -0.71 -3.65 113.70 119.21 1u1f s SER 66 Ca -0.01 2.12 0.20 0.00 0.48 0.00 0.00 55.95 58.74 1u1f s SER 66 Cb -0.12 -2.60 -0.30 0.00 0.10 0.00 0.00 66.02 63.10 1u1f s SER 66 CO -0.06 -0.34 0.33 0.35 0.98 0.00 0.00 173.24 174.49 1u1f n THR 67 N 0.43 0.45 0.00 2.02 -2.24 -0.03 -4.31 114.28 110.60 1u1f n THR 67 Ca 0.03 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1u1f n THR 67 Cb 0.48 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 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 1.48 -1.46 3.71 3.38 0.00 -0.70 -3.40 105.19 108.20 1u1f n GLY 68 Ca -0.13 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.35 4.87 0.00 -0.61 1.01 -1.26 -4.68 121.20 119.18 1u1f s ILE 69 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 60.65 62.67 1u1f s ILE 69 Cb 0.00 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.17 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 2.93 2.40 0.24 6.18 0.00 -1.25 -4.71 105.19 110.97 1u1f n GLY 70 Ca 0.06 -1.83 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 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 0.85 0.08 -0.02 0.00 -1.87 -2.61 103.07 99.51 1u1f h GLY 71 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.15 1u1f h GLY 71 CO 0.00 0.19 -0.22 -2.55 0.00 0.00 0.00 176.54 173.96 1u1f h PRO 72 N 0.67 -0.18 0.00 4.80 0.11 -1.95 0.50 132.00 135.95 1u1f h PRO 72 Ca 0.25 0.01 -0.17 0.00 0.11 0.00 0.00 66.00 66.20 1u1f h PRO 72 Cb 0.08 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1u1f h PRO 72 CO -0.13 -0.12 -0.82 0.66 -0.21 0.00 0.00 178.00 177.38 1u1f h SER 73 N -0.19 0.05 -0.34 -2.05 4.64 -1.80 -2.70 113.55 111.16 1u1f h SER 73 Ca 0.16 -0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.46 1u1f h SER 73 Cb 0.44 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.49 1u1f h SER 73 CO -0.43 0.84 0.18 0.74 -0.87 0.00 0.00 176.83 177.29 1u1f h THR 74 N 0.02 1.00 -0.31 2.95 2.02 -1.07 -1.94 112.91 115.58 1u1f h THR 74 Ca -0.02 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1u1f h THR 74 Cb 1.44 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1u1f h THR 74 CO 0.11 0.07 -0.00 0.77 0.37 0.00 0.00 175.52 176.84 1u1f h SER 75 N 0.37 0.45 0.18 4.18 4.64 0.14 -0.25 113.55 123.26 1u1f h SER 75 Ca 0.14 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1u1f h SER 75 Cb 0.04 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1u1f h SER 75 CO -0.09 0.52 -0.09 0.40 -0.87 0.00 0.00 176.83 176.71 1u1f h ILE 76 N 0.46 0.92 -0.32 0.95 2.04 -1.33 -2.46 117.51 117.77 1u1f h ILE 76 Ca 0.10 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1u1f h ILE 76 Cb 0.31 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1u1f h ILE 76 CO 0.01 0.13 0.20 0.00 0.00 0.00 0.00 178.15 178.49 1u1f h ALA 77 N 0.22 0.41 -0.34 1.87 0.00 -0.95 -1.62 119.26 118.85 1u1f h ALA 77 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1u1f h ALA 77 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1u1f h ALA 77 CO 0.04 -0.15 0.12 0.28 0.00 0.00 0.00 179.25 179.54 1u1f h VAL 78 N 0.41 1.20 -0.46 0.00 2.07 -1.15 -0.82 116.25 117.50 1u1f h VAL 78 Ca 0.12 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1u1f h VAL 78 Cb -0.02 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1u1f h VAL 78 CO -0.05 0.22 0.30 -0.08 0.02 0.00 0.00 177.57 177.98 1u1f h GLU 79 N 0.40 0.60 0.00 1.57 4.57 -1.27 -0.30 114.58 120.15 1u1f h GLU 79 Ca 0.11 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 58.11 1u1f h GLU 79 Cb 0.22 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1u1f h GLU 79 CO -0.01 0.40 -0.68 0.93 -1.18 0.00 0.00 179.01 178.47 1u1f h GLU 80 N 0.62 0.00 -0.38 1.92 5.08 -1.21 -1.75 114.58 118.87 1u1f h GLU 80 Ca 0.17 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 1u1f h GLU 80 Cb -0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1u1f h GLU 80 CO -0.04 0.68 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.25 1u1f h LEU 81 N 0.00 0.90 -0.97 1.33 3.38 -0.94 -2.65 115.31 116.36 1u1f h LEU 81 Ca -0.01 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 1u1f h LEU 81 Cb 1.26 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1u1f h LEU 81 CO 0.09 1.15 0.23 0.00 0.09 0.00 0.00 178.44 180.00 1u1f h ALA 82 N 0.90 1.17 -0.16 1.53 0.00 -0.82 -0.64 119.26 121.26 1u1f h ALA 82 Ca 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1u1f h ALA 82 Cb 0.90 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1u1f h ALA 82 CO 0.08 0.59 -0.11 1.96 0.00 0.00 0.00 179.25 181.77 1u1f h GLN 83 N 0.96 0.24 -0.00 0.00 4.20 -1.25 -2.69 115.11 116.58 1u1f h GLN 83 Ca 0.22 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1u1f h GLN 83 Cb 0.23 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1u1f h GLN 83 CO -0.01 0.37 -0.20 1.28 -0.67 0.00 0.00 178.83 179.60 1u1f n LEU 84 N -4.29 0.64 0.00 1.46 4.77 -0.78 -4.92 117.00 113.88 1u1f n LEU 84 Ca -0.01 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1u1f n LEU 84 Cb 0.25 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1u1f n LEU 84 CO 0.38 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1u1f n GLY 85 N 1.34 1.19 3.71 -0.72 0.00 -0.75 -4.81 105.19 105.14 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 4.55 -0.00 -0.61 -1.09 -0.32 -4.41 121.20 117.31 1u1f s ILE 86 Ca 0.00 1.85 0.00 0.00 -2.23 0.00 0.00 60.65 60.27 1u1f s ILE 86 Cb 0.00 -4.18 -0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1u1f s ILE 86 CO 0.00 0.15 0.00 0.54 -1.23 0.00 0.00 174.94 174.40 1u1f n ARG 87 N 3.83 2.95 -4.64 2.79 5.12 0.87 -4.18 116.66 123.40 1u1f n ARG 87 Ca 0.07 -0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.70 1u1f n ARG 87 Cb 0.49 -0.79 -0.17 0.00 -1.16 0.00 0.00 32.46 30.83 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 -1.58 1.64 -0.13 0.55 2.01 -0.44 -1.05 115.64 116.63 1u1f s THR 88 Ca -0.00 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1u1f s THR 88 Cb 0.00 -1.47 0.01 0.00 0.01 0.00 0.00 72.50 71.06 1u1f s THR 88 CO 0.00 0.47 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.84 1u1f s PHE 89 N 0.80 2.44 -0.25 4.92 0.40 0.80 -0.34 117.98 126.76 1u1f s PHE 89 Ca -0.10 -1.23 0.01 0.00 -0.60 0.00 0.00 56.93 55.00 1u1f s PHE 89 Cb -0.16 -1.69 0.04 0.00 0.51 0.00 0.00 43.02 41.72 1u1f s PHE 89 CO 0.01 -0.59 -0.10 -0.51 0.70 0.00 0.00 175.22 174.73 1u1f s LEU 90 N 0.93 3.19 -0.11 -0.37 1.43 -0.03 -0.95 118.68 122.76 1u1f s LEU 90 Ca -0.06 -1.09 -0.19 0.00 -1.03 0.00 0.00 54.13 51.76 1u1f s LEU 90 Cb -0.15 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1u1f s LEU 90 CO -0.03 -0.15 0.52 -0.60 0.23 0.00 0.00 176.35 176.33 1u1f s ARG 91 N 1.22 4.35 -0.15 1.70 3.52 -0.17 -0.05 118.95 129.36 1u1f s ARG 91 Ca -0.03 0.53 0.01 0.00 -0.13 0.00 0.00 55.73 56.11 1u1f s ARG 91 Cb -0.18 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1u1f s ARG 91 CO -0.06 0.12 -0.18 -1.50 -0.81 0.00 0.00 175.30 172.87 1u1f s ILE 92 N 0.72 2.41 0.28 4.11 -1.16 -1.23 -1.18 121.20 125.14 1u1f s ILE 92 Ca 0.28 -0.86 0.05 0.00 -0.51 0.00 0.00 60.65 59.61 1u1f s ILE 92 Cb -0.16 -1.99 -0.02 0.00 0.61 0.00 0.00 42.46 40.90 1u1f s ILE 92 CO 0.12 0.53 0.19 0.61 -2.81 0.00 0.00 174.94 173.57 1u1f n GLY 93 N 4.07 3.24 3.80 1.50 0.00 -0.45 -4.09 105.19 113.27 1u1f n GLY 93 Ca -0.19 -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 -2.96 4.36 0.06 2.61 -4.23 -1.26 -1.61 115.64 112.61 1u1f s THR 94 Ca 0.26 -1.42 -0.22 0.00 -1.18 0.00 0.00 61.69 59.14 1u1f s THR 94 Cb 0.01 -3.34 0.05 0.00 1.34 0.00 0.00 72.50 70.56 1u1f s THR 94 CO 0.19 -0.33 0.51 0.28 -0.54 0.00 0.00 174.62 174.73 1u1f s THR 95 N -2.11 0.03 -0.26 3.99 -1.32 -0.86 -4.82 115.64 110.28 1u1f s THR 95 Ca 0.32 -0.26 -0.08 0.00 -1.21 0.00 0.00 61.69 60.47 1u1f s THR 95 Cb -0.08 -0.99 -0.02 0.00 -1.51 0.00 0.00 72.50 69.90 1u1f s THR 95 CO 0.24 -0.14 0.09 -0.83 -2.21 0.00 0.00 174.62 171.77 1u1f s GLY 96 N -2.07 1.79 0.38 6.08 0.00 -1.08 -2.33 107.32 110.10 1u1f s GLY 96 Ca -0.04 -1.18 -0.24 0.00 0.00 0.00 0.00 44.72 43.25 1u1f s GLY 96 CO -0.03 0.57 0.98 0.00 0.00 0.00 0.00 173.10 174.62 1u1f s ALA 97 N 1.62 3.12 0.00 3.20 0.00 0.32 -0.88 121.76 129.14 1u1f s ALA 97 Ca 0.06 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1u1f s ALA 97 Cb -0.16 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1u1f s ALA 97 CO 0.04 0.04 0.65 0.44 0.00 0.00 0.00 175.76 176.94 1u1f n ILE 98 N 0.00 0.30 -4.04 0.00 -5.35 0.02 -0.65 119.36 109.65 1u1f n ILE 98 Ca 0.04 -0.65 -0.36 0.00 -0.27 0.00 0.00 62.75 61.52 1u1f n ILE 98 Cb 0.51 0.85 -0.08 0.00 -1.74 0.00 0.00 39.64 39.18 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 -0.30 3.51 0.51 6.28 -1.52 -1.23 -4.80 119.66 122.10 1u1f s GLN 99 Ca 0.00 -0.27 0.21 0.00 -1.95 0.00 0.00 55.36 53.35 1u1f s GLN 99 Cb 0.00 -3.10 1.33 0.00 -0.22 0.00 0.00 33.01 31.02 1u1f s GLN 99 CO 0.00 0.59 2.10 -1.35 -0.25 0.00 0.00 175.29 176.38 1u1f h PRO 100 N 5.59 0.00 0.00 2.91 0.11 -1.96 -2.76 132.00 135.90 1u1f h PRO 100 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 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 0.62 0.09 -0.16 -2.39 -0.21 0.00 0.00 178.00 175.95 1u1f n HIS 101 N -4.11 0.25 -3.22 0.65 1.44 -1.26 -4.73 115.22 104.24 1u1f n HIS 101 Ca -0.03 0.07 -0.40 0.00 -2.01 0.00 0.00 57.72 55.36 1u1f n HIS 101 Cb 0.18 -0.56 -0.07 0.00 0.12 0.00 0.00 29.99 29.65 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 5.06 0.37 0.61 1.01 -1.04 -5.07 121.20 119.10 1u1f s ILE 102 Ca 0.12 0.91 0.03 0.00 0.00 0.00 0.00 60.65 61.71 1u1f s ILE 102 Cb 0.17 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1u1f s ILE 102 CO 0.59 0.09 0.55 0.20 0.00 0.00 0.00 174.94 176.37 1u1f s ASN 103 N 1.51 6.03 0.14 3.58 0.01 -1.26 -4.87 114.94 120.08 1u1f s ASN 103 Ca 0.22 0.17 -0.31 0.00 -0.71 0.00 0.00 52.86 52.22 1u1f s ASN 103 Cb -0.16 -1.60 -0.10 0.00 0.41 0.00 0.00 41.25 39.81 1u1f s ASN 103 CO 0.09 -0.46 1.58 -0.69 -1.51 0.00 0.00 177.10 176.11 1u1f s VAL 104 N -2.33 2.74 0.00 1.60 1.01 -1.26 -2.40 120.40 119.76 1u1f s VAL 104 Ca 0.44 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1u1f s VAL 104 Cb -0.10 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1u1f s VAL 104 CO 0.35 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1u1f n GLY 105 N 3.79 2.27 3.77 4.51 0.00 0.41 -5.02 105.19 114.92 1u1f n GLY 105 Ca 0.14 0.00 -0.34 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 -1.53 5.29 -0.08 1.61 1.11 -1.01 -4.72 116.67 117.33 1u1f s ASP 106 Ca 0.00 2.04 -0.01 0.00 0.18 0.00 0.00 52.55 54.76 1u1f s ASP 106 Cb 0.00 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 1u1f s ASP 106 CO 0.00 -1.51 -0.02 0.68 1.18 0.00 0.00 175.17 175.50 1u1f s VAL 107 N -2.19 4.11 -0.11 -1.27 -7.23 -0.35 -0.74 120.40 112.62 1u1f s VAL 107 Ca 0.68 -0.32 0.03 0.00 -1.81 0.00 0.00 61.98 60.56 1u1f s VAL 107 Cb -0.21 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.02 1u1f s VAL 107 CO 0.37 0.60 -0.22 -0.76 -0.31 0.00 0.00 175.10 174.78 1u1f s LEU 108 N -0.83 2.05 -0.20 1.32 1.43 0.38 -1.80 118.68 121.03 1u1f s LEU 108 Ca 0.13 -0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 1u1f s LEU 108 Cb -0.11 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1u1f s LEU 108 CO 0.02 0.12 0.06 -0.69 0.23 0.00 0.00 176.35 176.09 1u1f s VAL 109 N 0.53 4.61 -0.25 -1.59 1.01 -0.62 -1.16 120.40 122.92 1u1f s VAL 109 Ca -0.15 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 1u1f s VAL 109 Cb -0.17 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1u1f s VAL 109 CO 0.05 0.42 0.48 -0.89 0.00 0.00 0.00 175.10 175.16 1u1f s THR 110 N 0.78 5.10 0.03 3.92 2.01 -0.66 -2.25 115.64 124.57 1u1f s THR 110 Ca 0.03 0.81 -0.16 0.00 0.31 0.00 0.00 61.69 62.68 1u1f s THR 110 Cb -0.13 -3.79 -0.34 0.00 0.01 0.00 0.00 72.50 68.24 1u1f s THR 110 CO 0.02 0.12 1.02 0.71 -0.69 0.00 0.00 174.62 175.80 1u1f h THR 111 N 5.34 1.29 -2.79 -0.82 1.35 -1.61 -3.41 112.91 112.27 1u1f h THR 111 Ca -0.30 -2.63 0.03 0.00 -0.55 0.00 0.00 66.41 62.96 1u1f h THR 111 Cb 1.15 2.97 -0.12 0.00 -1.73 0.00 0.00 68.15 70.42 1u1f h THR 111 CO 0.70 0.79 0.30 0.00 -0.25 0.00 0.00 175.52 177.06 1u1f s ALA 112 N -2.68 -1.61 0.02 6.62 0.00 -1.26 -0.31 121.76 122.55 1u1f s ALA 112 Ca -0.09 0.50 0.08 0.00 0.00 0.00 0.00 51.96 52.45 1u1f s ALA 112 Cb 0.04 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 1u1f s ALA 112 CO 0.94 -0.80 -0.24 -1.12 0.00 0.00 0.00 175.76 174.54 1u1f s SER 113 N -2.72 2.85 -0.01 0.00 0.01 -0.08 -2.03 113.70 111.72 1u1f s SER 113 Ca 0.04 -0.52 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 1u1f s SER 113 Cb -0.02 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 1u1f s SER 113 CO -0.09 0.24 1.36 -0.69 0.41 0.00 0.00 173.24 174.48 1u1f s VAL 114 N -0.72 3.81 -1.08 3.43 1.01 0.14 -4.33 120.40 122.66 1u1f s VAL 114 Ca 0.10 1.18 -0.17 0.00 0.00 0.00 0.00 61.98 63.09 1u1f s VAL 114 Cb -0.09 -3.76 0.13 0.00 0.00 0.00 0.00 36.38 32.66 1u1f s VAL 114 CO 0.01 -0.00 1.33 -0.13 0.00 0.00 0.00 175.10 176.31 1u1f s ARG 115 N 2.35 3.83 -0.53 2.72 0.52 -1.26 -1.76 118.95 124.82 1u1f s ARG 115 Ca 0.62 -2.05 0.02 0.00 -0.52 0.00 0.00 55.73 53.80 1u1f s ARG 115 Cb -0.30 -5.07 0.55 0.00 0.52 0.00 0.00 34.95 30.65 1u1f s ARG 115 CO 0.26 -1.86 1.91 1.28 0.02 0.00 0.00 175.30 176.91 1u1f n LEU 116 N 6.58 6.91 -4.60 2.53 4.77 -0.56 -4.96 117.00 127.68 1u1f n LEU 116 Ca 0.32 -3.98 -0.27 0.00 -0.03 0.00 0.00 56.01 52.05 1u1f n LEU 116 Cb 0.46 -0.87 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1u1f n LEU 116 CO 0.59 1.30 -0.27 1.51 -1.33 0.00 0.00 177.39 179.19 1u1f s ASP 117 N -1.73 3.49 -0.20 -1.43 -4.77 -1.23 -1.53 116.67 109.28 1u1f s ASP 117 Ca 0.59 -1.45 0.10 0.00 -3.30 0.00 0.00 52.55 48.49 1u1f s ASP 117 Cb 0.49 -0.08 -0.19 0.00 -1.09 0.00 0.00 42.92 42.04 1u1f s ASP 117 CO 0.04 -0.60 -0.06 0.61 0.70 0.00 0.00 175.17 175.87 1u1f n GLY 118 N -0.95 -0.64 0.25 2.12 0.00 -1.26 -4.66 105.19 100.05 1u1f n GLY 118 Ca -0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 0.49 1.34 -0.66 4.61 0.00 -1.98 -2.66 119.26 120.40 1u1f h ALA 119 Ca -0.50 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.21 1u1f h ALA 119 Cb 1.97 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 1u1f h ALA 119 CO -0.02 0.44 0.44 0.66 0.00 0.00 0.00 179.25 180.77 1u1f h SER 120 N 0.38 0.63 0.46 0.00 4.64 -1.86 -1.33 113.55 116.48 1u1f h SER 120 Ca 0.07 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1u1f h SER 120 Cb 0.44 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1u1f h SER 120 CO 0.02 0.42 0.00 -0.07 -0.87 0.00 0.00 176.83 176.33 1u1f h LEU 121 N 0.72 0.00 -0.06 5.97 3.38 -1.57 -1.48 115.31 122.28 1u1f h LEU 121 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1u1f h LEU 121 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1u1f h LEU 121 CO -0.08 0.00 -0.02 1.41 0.09 0.00 0.00 178.44 179.84 1u1f n HIS 122 N -3.07 0.00 -0.00 1.13 8.25 -0.50 -3.89 115.22 117.14 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 0.18 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.12 0.00 -3.70 4.41 3.01 -0.65 -5.08 117.46 114.33 1u1f n PHE 123 Ca 0.17 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.49 1u1f n PHE 123 Cb 0.22 -0.01 -0.09 0.00 -0.01 0.00 0.00 39.48 39.59 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 -2.00 -1.13 0.85 4.37 0.00 -0.66 -5.00 121.76 118.18 1u1f s ALA 124 Ca -0.00 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 1u1f s ALA 124 Cb 0.00 -0.32 0.11 0.00 0.00 0.00 0.00 23.12 22.91 1u1f s ALA 124 CO 0.01 -0.26 1.15 -1.25 0.00 0.00 0.00 175.76 175.41 1u1f s PRO 125 N -0.59 1.48 0.41 0.00 0.04 -1.26 -3.82 135.00 131.24 1u1f s PRO 125 Ca -0.07 1.55 0.16 0.00 0.04 0.00 0.00 61.00 62.68 1u1f s PRO 125 Cb -0.03 -1.78 1.05 0.00 0.04 0.00 0.00 34.50 33.77 1u1f s PRO 125 CO 0.04 -2.29 1.85 1.25 0.04 0.00 0.00 177.00 177.88 1u1f h LEU 126 N -1.37 0.45 -2.40 -3.56 5.85 -1.93 -1.15 115.31 111.20 1u1f h LEU 126 Ca -0.44 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1u1f h LEU 126 Cb 1.27 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1u1f h LEU 126 CO 0.45 0.18 -0.03 1.05 -0.34 0.00 0.00 178.44 179.74 1u1f h GLU 127 N 0.45 0.00 -6.58 1.25 9.09 -2.03 -3.42 114.58 113.33 1u1f h GLU 127 Ca 0.48 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.37 1u1f h GLU 127 Cb 1.15 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.27 1u1f h GLU 127 CO -0.20 0.03 0.63 0.12 0.05 0.00 0.00 179.01 179.65 1u1f s PHE 128 N -4.20 3.33 0.12 2.06 2.19 -0.44 -4.99 117.98 116.05 1u1f s PHE 128 Ca -0.04 1.19 -0.30 0.00 0.33 0.00 0.00 56.93 58.12 1u1f s PHE 128 Cb 0.13 -3.55 -0.07 0.00 -1.31 0.00 0.00 43.02 38.23 1u1f s PHE 128 CO 0.50 -1.76 1.17 -1.25 1.83 0.00 0.00 175.22 175.72 1u1f s PRO 129 N 0.55 4.49 -1.49 10.12 0.04 -1.26 -4.94 135.00 142.51 1u1f s PRO 129 Ca 0.59 1.78 -0.13 0.00 0.04 0.00 0.00 61.00 63.27 1u1f s PRO 129 Cb -0.34 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 30.91 1u1f s PRO 129 CO 0.33 -0.13 2.36 0.00 0.04 0.00 0.00 177.00 179.59 1u1f n ALA 130 N 3.21 5.90 -2.78 8.56 0.00 -1.26 -4.75 120.51 129.40 1u1f n ALA 130 Ca 0.06 -3.82 -0.37 0.00 0.00 0.00 0.00 53.44 49.31 1u1f n ALA 130 Cb 0.46 -3.51 -0.06 0.00 0.00 0.00 0.00 19.45 16.34 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 3.00 5.37 0.55 0.00 0.11 -1.26 -0.90 120.40 127.27 1u1f s VAL 131 Ca 0.51 0.34 -0.15 0.00 -2.93 0.00 0.00 61.98 59.75 1u1f s VAL 131 Cb 0.15 -3.49 -0.06 0.00 -1.53 0.00 0.00 36.38 31.44 1u1f s VAL 131 CO -0.08 0.58 1.01 0.00 -3.33 0.00 0.00 175.10 173.27 1u1f s ALA 132 N -1.08 3.01 0.25 1.54 0.00 0.58 -4.70 121.76 121.36 1u1f s ALA 132 Ca 0.19 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 1u1f s ALA 132 Cb -0.13 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 1u1f s ALA 132 CO 0.08 -0.43 1.40 0.34 0.00 0.00 0.00 175.76 177.15 1u1f s ASP 133 N -3.23 6.71 0.21 0.00 2.15 0.49 -4.93 116.67 118.08 1u1f s ASP 133 Ca 0.59 2.61 -0.10 0.00 0.43 0.00 0.00 52.55 56.09 1u1f s ASP 133 Cb -0.11 -2.62 0.15 0.00 -0.30 0.00 0.00 42.92 40.04 1u1f s ASP 133 CO 0.37 -0.65 1.83 0.15 -0.17 0.00 0.00 175.17 176.69 1u1f h PHE 134 N 4.97 1.04 -0.54 -5.34 3.04 -1.95 -0.67 116.94 117.49 1u1f h PHE 134 Ca -0.46 -0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.36 1u1f h PHE 134 Cb 1.22 -0.33 -0.02 0.00 2.56 0.00 0.00 35.95 39.37 1u1f h PHE 134 CO 0.60 0.73 -0.10 0.93 -2.02 0.00 0.00 178.31 178.45 1u1f h GLU 135 N 1.05 1.01 -0.37 1.11 5.08 -1.95 -1.04 114.58 119.47 1u1f h GLU 135 Ca 0.27 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 58.18 1u1f h GLU 135 Cb 0.03 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1u1f h GLU 135 CO -0.04 1.04 -0.12 0.00 -1.00 0.00 0.00 179.01 178.90 1u1f h THR 137 N 0.53 1.21 -0.18 0.00 2.02 -1.08 -1.74 112.91 113.67 1u1f h THR 137 Ca 0.09 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.64 1u1f h THR 137 Cb 0.64 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1u1f h THR 137 CO 0.04 0.24 0.10 0.74 0.37 0.00 0.00 175.52 177.01 1u1f h THR 138 N 0.69 1.01 -0.55 3.16 2.02 -1.11 -1.23 112.91 116.91 1u1f h THR 138 Ca 0.17 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 1u1f h THR 138 Cb 0.18 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1u1f h THR 138 CO -0.02 0.04 0.24 0.00 0.37 0.00 0.00 175.52 176.15 1u1f h ALA 139 N 1.08 1.39 -0.26 6.16 0.00 -1.11 -0.80 119.26 125.72 1u1f h ALA 139 Ca 0.07 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1u1f h ALA 139 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1u1f h ALA 139 CO -0.04 0.47 -0.41 -0.07 0.00 0.00 0.00 179.25 179.20 1u1f h LEU 140 N 0.77 0.82 -0.37 0.00 3.38 -1.05 -0.15 115.31 118.71 1u1f h LEU 140 Ca 0.19 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1u1f h LEU 140 Cb 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1u1f h LEU 140 CO -0.02 1.18 0.11 0.58 0.09 0.00 0.00 178.44 180.37 1u1f h VAL 141 N 0.49 1.22 -0.47 1.22 2.07 -1.00 -1.04 116.25 118.73 1u1f h VAL 141 Ca 0.02 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.71 1u1f h VAL 141 Cb 1.01 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1u1f h VAL 141 CO 0.09 0.25 -0.12 -0.33 0.02 0.00 0.00 177.57 177.49 1u1f h GLU 142 N 0.46 0.86 -0.54 1.57 5.08 -1.15 -1.63 114.58 119.23 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 0.28 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1u1f h GLU 142 CO -0.00 0.94 0.02 0.00 -1.00 0.00 0.00 179.01 178.96 1u1f h ALA 143 N 1.09 1.01 -0.50 3.43 0.00 -0.89 0.30 119.26 123.69 1u1f h ALA 143 Ca 0.13 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1u1f h ALA 143 Cb 0.63 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1u1f h ALA 143 CO 0.04 0.61 -0.14 0.00 0.00 0.00 0.00 179.25 179.77 1u1f h ALA 144 N 1.16 0.80 0.00 0.00 0.00 -1.01 -2.70 119.26 117.51 1u1f h ALA 144 Ca 0.16 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1u1f h ALA 144 Cb 0.48 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1u1f h ALA 144 CO 0.02 0.66 -0.39 1.57 0.00 0.00 0.00 179.25 181.11 1u1f h LYS 145 N 0.85 0.00 -0.35 0.00 5.09 -1.08 -1.60 116.57 119.48 1u1f h LYS 145 Ca 0.13 0.00 -0.10 0.00 0.09 0.00 0.00 60.65 60.77 1u1f h LYS 145 Cb 0.69 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.01 1u1f h LYS 145 CO 0.05 0.39 -0.18 1.03 -2.09 0.00 0.00 179.45 178.65 1u1f h SER 146 N 0.00 0.77 0.49 7.07 0.87 -0.68 -3.16 113.55 118.91 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 0.88 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1u1f h SER 146 CO 0.05 1.01 -0.51 2.30 -0.53 0.00 0.00 176.83 179.15 1u1f n ILE 147 N -4.30 0.00 -2.14 2.23 -5.35 -1.04 -4.99 119.36 103.76 1u1f n ILE 147 Ca -0.02 -0.00 -0.02 0.00 -0.27 0.00 0.00 62.75 62.44 1u1f n ILE 147 Cb 0.41 0.26 0.01 0.00 -1.74 0.00 0.00 39.64 38.58 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 0.36 3.94 3.28 0.00 -0.66 -5.07 105.19 108.54 1u1f n GLY 148 Ca 0.05 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.04 3.95 -0.44 4.61 0.00 -0.83 -5.04 121.76 120.97 1u1f s ALA 149 Ca 0.00 -1.06 -0.28 0.00 0.00 0.00 0.00 51.96 50.61 1u1f s ALA 149 Cb -0.00 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.37 1u1f s ALA 149 CO 0.08 0.50 1.49 0.99 0.00 0.00 0.00 175.76 178.82 1u1f s THR 150 N -1.77 3.79 -0.04 0.00 2.01 -1.26 -4.79 115.64 113.58 1u1f s THR 150 Ca 0.34 0.77 0.05 0.00 0.31 0.00 0.00 61.69 63.16 1u1f s THR 150 Cb -0.11 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 1u1f s THR 150 CO 0.28 -0.80 -0.18 -0.89 -0.69 0.00 0.00 174.62 172.34 1u1f s THR 151 N 5.95 2.70 -0.06 -0.82 2.01 -1.26 -1.21 115.64 122.96 1u1f s THR 151 Ca 0.62 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.81 1u1f s THR 151 Cb -0.14 -2.03 -0.00 0.00 0.01 0.00 0.00 72.50 70.34 1u1f s THR 151 CO 0.31 0.59 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.63 1u1f s HIS 152 N -0.64 1.93 -0.13 4.92 3.76 -0.74 -4.99 115.29 119.40 1u1f s HIS 152 Ca 0.10 -0.61 -0.00 0.00 -0.15 0.00 0.00 55.06 54.39 1u1f s HIS 152 Cb -0.11 -1.30 -0.02 0.00 1.11 0.00 0.00 32.58 32.27 1u1f s HIS 152 CO 0.00 -0.22 -0.12 0.08 -0.85 0.00 0.00 174.74 173.63 1u1f s VAL 153 N 0.12 3.13 -3.15 -0.90 1.01 -1.26 -1.59 120.40 117.76 1u1f s VAL 153 Ca -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1u1f s VAL 153 Cb -0.13 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1u1f s VAL 153 CO 0.04 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1u1f n GLY 154 N 3.44 -0.57 3.82 4.51 0.00 -0.95 -4.99 105.19 110.44 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 -3.61 4.78 -0.02 1.61 1.01 -1.26 -1.51 120.40 121.40 1u1f s VAL 155 Ca 0.00 1.14 0.06 0.00 0.00 0.00 0.00 61.98 63.19 1u1f s VAL 155 Cb 0.00 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1u1f s VAL 155 CO 0.00 0.53 -0.21 -0.89 0.00 0.00 0.00 175.10 174.53 1u1f s THR 156 N -1.14 2.53 -0.32 3.92 2.01 -0.86 -0.83 115.64 120.95 1u1f s THR 156 Ca 0.29 -0.98 -0.20 0.00 0.31 0.00 0.00 61.69 61.12 1u1f s THR 156 Cb -0.19 -1.95 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 1u1f s THR 156 CO 0.18 0.55 0.59 0.00 -0.69 0.00 0.00 174.62 175.26 1u1f s ALA 157 N -0.70 3.52 -0.38 7.40 0.00 0.05 0.28 121.76 131.93 1u1f s ALA 157 Ca 0.11 -0.74 -0.09 0.00 0.00 0.00 0.00 51.96 51.24 1u1f s ALA 157 Cb -0.10 -3.07 0.05 0.00 0.00 0.00 0.00 23.12 20.00 1u1f s ALA 157 CO 0.00 -1.10 0.19 0.45 0.00 0.00 0.00 175.76 175.31 1u1f s SER 158 N 1.68 5.58 -0.03 0.00 0.15 -0.72 -1.80 113.70 118.55 1u1f s SER 158 Ca 0.23 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.68 1u1f s SER 158 Cb -0.15 -1.96 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 1u1f s SER 158 CO 0.12 -0.42 0.01 -0.55 1.20 0.00 0.00 173.24 173.61 1u1f s SER 159 N 1.68 5.21 0.03 5.45 0.15 0.39 -1.49 113.70 125.13 1u1f s SER 159 Ca 0.01 0.05 0.23 0.00 0.70 0.00 0.00 55.95 56.95 1u1f s SER 159 Cb -0.20 -1.41 0.98 0.00 -1.71 0.00 0.00 66.02 63.67 1u1f s SER 159 CO 0.04 0.31 1.75 0.47 1.20 0.00 0.00 173.24 177.00 1u1f n ASP 160 N 1.60 0.11 -4.29 5.45 9.92 -0.58 -4.34 116.55 124.41 1u1f n ASP 160 Ca -0.16 0.52 -0.18 0.00 -0.53 0.00 0.00 54.79 54.44 1u1f n ASP 160 Cb 0.53 -0.54 -0.11 0.00 -0.64 0.00 0.00 41.12 40.36 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 -3.03 1.51 0.03 -3.53 -4.23 -1.26 -5.02 115.64 100.11 1u1f s THR 161 Ca 0.11 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 58.75 1u1f s THR 161 Cb 0.15 -1.75 -0.24 0.00 1.34 0.00 0.00 72.50 71.99 1u1f s THR 161 CO 0.44 -0.48 0.95 0.15 -0.54 0.00 0.00 174.62 175.14 1u1f h PHE 162 N 3.15 0.17 0.00 3.99 3.57 -1.97 -3.39 116.94 122.45 1u1f h PHE 162 Ca -0.39 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 60.98 1u1f h PHE 162 Cb 1.20 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1u1f h PHE 162 CO 0.67 1.14 0.00 0.66 -2.23 0.00 0.00 178.31 178.55 1u1f n TYR 163 N -3.30 0.00 -0.08 0.41 4.02 -1.26 -4.33 117.16 112.62 1u1f n TYR 163 Ca -0.11 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.74 1u1f n TYR 163 Cb 1.01 -0.00 0.18 0.00 -0.02 0.00 0.00 39.34 40.50 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 0.72 0.00 -0.72 0.13 -1.87 0.14 132.00 130.39 1u1f h PRO 164 Ca 0.00 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1u1f h PRO 164 Cb 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.05 1u1f h PRO 164 CO 0.00 0.76 0.00 0.78 -0.23 0.00 0.00 178.00 179.31 1u1f h GLY 165 N 0.96 0.00 -1.89 1.56 0.00 -1.87 -1.63 103.07 100.20 1u1f h GLY 165 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1u1f h GLY 165 CO 0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.51 1u1f n GLN 166 N -2.71 3.13 -4.01 4.80 6.02 -0.89 -4.93 117.38 118.78 1u1f n GLN 166 Ca 0.01 -2.90 -0.31 0.00 -0.01 0.00 0.00 57.00 53.78 1u1f n GLN 166 Cb 0.27 -1.91 -0.02 0.00 1.02 0.00 0.00 30.24 29.60 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 -0.40 -1.85 -3.38 -1.09 2.13 -0.61 -4.95 120.64 110.49 1u1f n GLU 167 Ca 0.23 0.28 -0.38 0.00 0.66 0.00 0.00 57.16 57.96 1u1f n GLU 167 Cb 0.95 -3.89 -0.07 0.00 0.27 0.00 0.00 31.44 28.70 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 -6.81 4.28 -0.01 5.31 0.52 0.43 -4.97 118.95 117.70 1u1f s ARG 168 Ca 0.17 0.32 0.17 0.00 -0.52 0.00 0.00 55.73 55.86 1u1f s ARG 168 Cb -0.08 -3.46 -0.21 0.00 0.52 0.00 0.00 34.95 31.72 1u1f s ARG 168 CO 0.93 0.12 0.63 0.66 0.02 0.00 0.00 175.30 177.65 1u1f n TYR 169 N 3.89 0.00 -1.56 -0.53 4.02 -1.26 -4.39 117.16 117.33 1u1f n TYR 169 Ca -0.08 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.40 1u1f n TYR 169 Cb 0.51 -0.11 -0.01 0.00 -0.02 0.00 0.00 39.34 39.71 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 -1.60 4.82 -3.96 7.72 4.64 -1.26 -4.20 116.55 122.72 1u1f n ASP 170 Ca 0.01 -2.75 -0.24 0.00 -1.38 0.00 0.00 54.79 50.44 1u1f n ASP 170 Cb 0.32 -1.57 -0.08 0.00 -1.04 0.00 0.00 41.12 38.75 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 3.15 0.45 0.10 5.18 -4.23 -1.26 -5.02 115.64 114.01 1u1f s THR 171 Ca 0.53 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.81 1u1f s THR 171 Cb 0.15 -2.40 -0.12 0.00 1.34 0.00 0.00 72.50 71.47 1u1f s THR 171 CO -0.06 0.00 1.73 0.22 -0.54 0.00 0.00 174.62 175.96 1u1f h TYR 172 N 1.91 -0.06 0.02 3.99 5.03 -1.99 -3.12 116.97 122.76 1u1f h TYR 172 Ca -0.33 0.00 -0.22 0.00 2.58 0.00 0.00 58.73 60.77 1u1f h TYR 172 Cb 1.26 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.56 1u1f h TYR 172 CO 1.49 -0.04 -0.96 0.66 -1.32 0.00 0.00 178.16 177.99 1u1f h SER 173 N -0.04 0.31 -0.24 -2.11 4.64 -1.97 -3.47 113.55 110.67 1u1f h SER 173 Ca 0.02 -0.27 -0.10 0.00 -0.47 0.00 0.00 61.79 60.96 1u1f h SER 173 Cb 0.06 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.01 1u1f h SER 173 CO -0.04 1.10 -0.09 0.61 -0.87 0.00 0.00 176.83 177.54 1u1f n GLY 174 N 1.04 0.76 3.16 -0.77 0.00 -1.18 -5.01 105.19 103.19 1u1f n GLY 174 Ca -0.05 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.06 0.81 -0.07 1.61 1.70 -1.26 -4.92 118.95 114.77 1u1f s ARG 175 Ca 0.00 -1.23 0.03 0.00 -0.47 0.00 0.00 55.73 54.06 1u1f s ARG 175 Cb 0.00 -0.32 0.01 0.00 -0.57 0.00 0.00 34.95 34.06 1u1f s ARG 175 CO 0.00 0.02 -0.17 0.08 -1.08 0.00 0.00 175.30 174.15 1u1f s VAL 176 N -3.04 1.46 0.49 4.99 1.01 -1.26 -4.93 120.40 119.11 1u1f s VAL 176 Ca 0.08 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 1u1f s VAL 176 Cb 0.01 -1.29 -0.08 0.00 0.00 0.00 0.00 36.38 35.02 1u1f s VAL 176 CO -0.03 0.43 1.02 0.55 0.00 0.00 0.00 175.10 177.07 1u1f n VAL 177 N 3.58 2.88 -0.31 2.92 3.14 -1.26 -4.60 118.33 124.68 1u1f n VAL 177 Ca -0.21 -0.50 0.10 0.00 -2.96 0.00 0.00 64.34 60.77 1u1f n VAL 177 Cb 0.52 -1.21 0.22 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 1.24 0.06 -0.86 1.45 2.43 -2.00 -0.23 114.38 116.47 1u1f h ARG 178 Ca -0.46 -0.00 0.18 0.00 -0.81 0.00 0.00 59.98 58.88 1u1f h ARG 178 Cb 1.34 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.81 1u1f h ARG 178 CO 0.55 0.04 0.56 1.25 -1.51 0.00 0.00 179.97 180.86 1u1f h HIS 179 N 0.06 0.58 -0.02 2.20 2.76 -2.02 -2.07 115.15 116.64 1u1f h HIS 179 Ca 0.51 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.70 1u1f h HIS 179 Cb 0.97 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.75 1u1f h HIS 179 CO -0.48 0.18 -0.10 1.19 -1.30 0.00 0.00 177.93 177.43 1u1f n PHE 180 N -4.51 0.00 -2.06 5.26 3.01 -0.15 -4.79 117.46 114.21 1u1f n PHE 180 Ca 0.17 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.21 1u1f n PHE 180 Cb 0.60 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.05 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 -1.74 4.20 -0.05 -1.08 1.02 -0.78 -2.17 119.74 119.14 1u1f s LYS 181 Ca 0.21 2.13 0.00 0.00 0.02 0.00 0.00 55.97 58.33 1u1f s LYS 181 Cb 0.16 -3.85 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 1u1f s LYS 181 CO 0.30 -0.78 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 1u1f n GLY 182 N 3.99 0.42 0.20 -3.33 0.00 -1.26 -4.93 105.19 100.28 1u1f n GLY 182 Ca 0.16 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 0.66 -0.33 1.61 4.64 -1.74 -2.96 113.55 115.42 1u1f h SER 183 Ca -0.01 -0.40 0.01 0.00 -0.47 0.00 0.00 61.79 60.92 1u1f h SER 183 Cb 0.24 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1u1f h SER 183 CO 0.01 1.15 0.19 -0.03 -0.87 0.00 0.00 176.83 177.28 1u1f h MET 184 N 0.41 0.38 -0.70 4.77 -1.53 -1.92 -0.66 114.93 115.67 1u1f h MET 184 Ca -0.02 -0.02 0.01 0.00 -3.44 0.00 0.00 59.70 56.23 1u1f h MET 184 Cb 1.25 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 32.18 1u1f h MET 184 CO 0.13 0.25 0.46 1.49 0.14 0.00 0.00 176.91 179.38 1u1f h GLU 185 N 0.39 0.90 -0.24 0.39 4.81 -1.97 0.04 114.58 118.89 1u1f h GLU 185 Ca 0.13 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1u1f h GLU 185 Cb 0.00 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1u1f h GLU 185 CO -0.06 0.60 0.03 1.49 -0.73 0.00 0.00 179.01 180.33 1u1f h GLU 186 N 0.93 0.41 -0.71 1.92 4.57 -1.23 -1.89 114.58 118.59 1u1f h GLU 186 Ca 0.26 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 1u1f h GLU 186 Cb -0.08 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1u1f h GLU 186 CO -0.06 0.56 0.26 -1.49 -1.18 0.00 0.00 179.01 177.10 1u1f h TRP 187 N 0.21 1.10 -0.38 0.92 -0.00 -0.78 -2.44 115.95 114.58 1u1f h TRP 187 Ca 0.07 -0.09 0.05 0.00 -0.00 0.00 0.00 58.89 58.92 1u1f h TRP 187 Cb 0.36 -0.32 -0.05 0.00 -0.00 0.00 0.00 29.16 29.14 1u1f h TRP 187 CO 0.03 0.86 0.09 1.96 -0.00 0.00 0.00 178.44 181.38 1u1f h GLN 188 N 1.02 0.22 0.00 0.49 4.20 -0.89 -1.24 115.11 118.90 1u1f h GLN 188 Ca 0.23 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 1u1f h GLN 188 Cb 0.25 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1u1f h GLN 188 CO -0.01 0.15 -0.20 0.00 -0.67 0.00 0.00 178.83 178.09 1u1f h ALA 189 N 1.27 1.33 -0.05 3.87 0.00 -1.21 -2.26 119.26 122.21 1u1f h ALA 189 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u1f h ALA 189 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1u1f h ALA 189 CO -0.22 0.25 0.00 -1.33 0.00 0.00 0.00 179.25 177.95 1u1f n MET 190 N -3.80 1.42 -0.97 0.00 2.81 -0.70 -4.92 117.12 110.97 1u1f n MET 190 Ca -0.02 -0.63 0.00 0.00 -1.81 0.00 0.00 57.70 55.25 1u1f n MET 190 Cb 0.30 -1.43 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 0.48 3.73 3.03 0.00 -0.85 -5.02 105.19 107.61 1u1f n GLY 191 Ca 0.18 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 2.77 -0.02 1.61 1.01 -0.55 -4.59 120.40 118.63 1u1f s VAL 192 Ca 0.00 0.58 -0.20 0.00 0.00 0.00 0.00 61.98 62.36 1u1f s VAL 192 Cb 0.00 -3.37 -0.31 0.00 0.00 0.00 0.00 36.38 32.70 1u1f s VAL 192 CO 0.00 0.06 0.95 0.24 0.00 0.00 0.00 175.10 176.35 1u1f h MET 193 N 6.24 0.37 -3.06 2.72 0.00 -1.31 -3.42 114.93 116.46 1u1f h MET 193 Ca -0.44 -0.58 0.05 0.00 0.00 0.00 0.00 59.70 58.73 1u1f h MET 193 Cb 1.21 0.21 -0.06 0.00 0.00 0.00 0.00 31.60 32.95 1u1f h MET 193 CO 0.86 1.26 0.19 0.54 0.00 0.00 0.00 176.91 179.76 1u1f s ASN 194 N -7.05 -0.28 -0.14 1.22 4.22 -1.26 -0.80 114.94 110.86 1u1f s ASN 194 Ca -0.13 -0.56 -0.01 0.00 -2.14 0.00 0.00 52.86 50.02 1u1f s ASN 194 Cb 0.02 0.70 -0.02 0.00 1.28 0.00 0.00 41.25 43.23 1u1f s ASN 194 CO 0.85 -1.28 -0.10 -0.31 -2.04 0.00 0.00 177.10 174.23 1u1f s TYR 195 N -3.91 2.89 0.00 1.54 4.12 -0.06 -0.77 117.35 121.17 1u1f s TYR 195 Ca 0.11 -0.50 0.00 0.00 0.02 0.00 0.00 57.07 56.70 1u1f s TYR 195 Cb -0.05 -1.88 0.00 0.00 -1.52 0.00 0.00 41.96 38.51 1u1f s TYR 195 CO 0.05 -0.13 0.00 -0.85 0.02 0.00 0.00 175.55 174.63 1u1f n GLU 196 N 3.49 0.00 0.00 -0.62 -0.00 -0.75 -2.62 120.64 120.15 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 0.47 0.00 3.44 2.81 -1.26 -0.46 117.12 122.12 1u1f n MET 197 Ca 0.00 -0.60 0.00 0.00 -1.81 0.00 0.00 57.70 55.29 1u1f n MET 197 Cb 0.00 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 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 -0.12 2.89 -0.30 0.03 4.71 -1.26 -3.61 120.64 122.99 1u1f n GLU 198 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.13 1u1f n GLU 198 Cb 0.26 -0.71 0.14 0.00 -1.01 0.00 0.00 31.44 30.12 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 1.04 -0.42 1.62 4.64 -1.94 -1.97 113.55 116.52 1u1f h SER 199 Ca 0.00 -0.07 0.02 0.00 -0.47 0.00 0.00 61.79 61.26 1u1f h SER 199 Cb 0.14 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 1u1f h SER 199 CO 0.00 0.82 0.25 0.00 -0.87 0.00 0.00 176.83 177.03 1u1f h ALA 200 N 1.36 0.53 0.25 5.18 0.00 -1.87 0.15 119.26 124.86 1u1f h ALA 200 Ca 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1u1f h ALA 200 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1u1f h ALA 200 CO -0.05 -0.07 -0.12 1.15 0.00 0.00 0.00 179.25 180.15 1u1f h THR 201 N 0.50 0.81 0.00 0.00 2.02 -1.86 -1.91 112.91 112.49 1u1f h THR 201 Ca 0.17 -0.45 0.02 0.00 0.77 0.00 0.00 66.41 66.91 1u1f h THR 201 Cb 0.01 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1u1f h THR 201 CO -0.08 0.10 -0.12 0.25 0.37 0.00 0.00 175.52 176.05 1u1f h LEU 202 N -0.57 -0.34 -0.54 2.58 5.85 -1.20 -0.95 115.31 120.15 1u1f h LEU 202 Ca -0.03 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1u1f h LEU 202 Cb 0.42 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1u1f h LEU 202 CO 0.06 -0.17 0.06 -0.07 -0.34 0.00 0.00 178.44 177.98 1u1f h LEU 203 N -0.20 0.88 -0.07 2.25 3.38 -0.76 -1.94 115.31 118.85 1u1f h LEU 203 Ca 0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1u1f h LEU 203 Cb 0.25 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1u1f h LEU 203 CO -0.12 0.93 0.01 0.74 0.09 0.00 0.00 178.44 180.09 1u1f h THR 204 N 0.79 1.23 0.00 0.22 2.02 -1.26 -1.37 112.91 114.54 1u1f h THR 204 Ca 0.16 -0.70 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 1u1f h THR 204 Cb 0.45 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1u1f h THR 204 CO 0.02 0.19 -0.32 0.00 0.37 0.00 0.00 175.52 175.78 1u1f h MET 205 N -0.14 0.00 0.08 6.66 -0.00 -1.14 -2.20 114.93 118.19 1u1f h MET 205 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.60 1u1f h MET 205 Cb 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.91 1u1f h MET 205 CO 0.00 0.32 -0.56 0.00 -0.00 0.00 0.00 176.91 176.67 1u1f h ALA 207 N 0.02 1.19 -0.34 0.00 0.00 -1.20 0.12 119.26 119.05 1u1f h ALA 207 Ca -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1u1f h ALA 207 Cb 1.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1u1f h ALA 207 CO 0.08 0.13 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 1u1f n SER 208 N -3.48 3.11 -0.14 0.00 3.41 -0.83 -4.30 113.62 111.40 1u1f n SER 208 Ca -0.01 -1.94 0.01 0.00 -0.26 0.00 0.00 58.87 56.66 1u1f n SER 208 Cb 0.25 -0.22 0.02 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.27 0.81 -1.70 4.33 6.02 -0.88 -5.01 117.38 122.22 1u1f n GLN 209 Ca 0.19 -1.12 -0.09 0.00 -0.01 0.00 0.00 57.00 55.97 1u1f n GLN 209 Cb 0.55 -0.74 -0.02 0.00 1.02 0.00 0.00 30.24 31.05 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 -0.30 0.54 3.68 1.08 0.00 -1.00 -5.03 105.19 104.17 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 -2.29 3.51 -0.06 0.99 1.43 -0.02 -5.05 118.68 117.20 1u1f s LEU 211 Ca 0.00 0.01 -0.22 0.00 -1.03 0.00 0.00 54.13 52.89 1u1f s LEU 211 Cb 0.00 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1u1f s LEU 211 CO 0.00 0.30 0.65 -0.13 0.23 0.00 0.00 176.35 177.39 1u1f s ARG 212 N -1.43 4.40 -0.00 1.70 0.52 -0.22 -3.84 118.95 120.08 1u1f s ARG 212 Ca 0.18 0.79 0.01 0.00 -0.52 0.00 0.00 55.73 56.20 1u1f s ARG 212 Cb -0.11 -3.42 -0.00 0.00 0.52 0.00 0.00 34.95 31.93 1u1f s ARG 212 CO 0.09 0.15 -0.05 0.00 0.02 0.00 0.00 175.30 175.51 1u1f s ALA 213 N 0.52 0.38 0.12 2.13 0.00 -1.26 -0.14 121.76 123.52 1u1f s ALA 213 Ca 0.34 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.14 1u1f s ALA 213 Cb -0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1u1f s ALA 213 CO 0.17 0.09 -0.13 0.20 0.00 0.00 0.00 175.76 176.09 1u1f s GLY 214 N -0.17 1.04 -0.04 0.00 0.00 -0.12 -0.38 107.32 107.64 1u1f s GLY 214 Ca 0.01 -1.28 -0.01 0.00 0.00 0.00 0.00 44.72 43.44 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 -2.74 0.12 0.02 2.90 1.75 -1.26 -1.00 119.30 119.09 1u1f s MET 215 Ca 0.09 0.24 0.02 0.00 -1.25 0.00 0.00 55.69 54.79 1u1f s MET 215 Cb -0.04 -0.54 -0.02 0.00 2.84 0.00 0.00 34.83 37.07 1u1f s MET 215 CO 0.02 -0.26 -0.07 0.54 -0.65 0.00 0.00 175.02 174.61 1u1f s VAL 216 N 1.72 0.49 -0.03 10.11 0.11 -0.32 -1.65 120.40 130.82 1u1f s VAL 216 Ca -0.00 -0.73 -0.12 0.00 -2.93 0.00 0.00 61.98 58.20 1u1f s VAL 216 Cb -0.13 -0.51 0.02 0.00 -1.53 0.00 0.00 36.38 34.24 1u1f s VAL 216 CO -0.03 -0.18 0.26 0.00 -3.33 0.00 0.00 175.10 171.82 1u1f s ALA 217 N -0.87 -0.64 -0.14 1.54 0.00 -0.31 -1.34 121.76 120.00 1u1f s ALA 217 Ca -0.05 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.11 1u1f s ALA 217 Cb -0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1u1f s ALA 217 CO 0.00 -0.21 0.25 0.20 0.00 0.00 0.00 175.76 176.00 1u1f s GLY 218 N -0.98 2.20 -0.32 0.00 0.00 -0.63 -0.47 107.32 107.13 1u1f s GLY 218 Ca -0.11 -0.50 -0.29 0.00 0.00 0.00 0.00 44.72 43.83 1u1f s GLY 218 CO 0.03 0.23 1.16 0.14 0.00 0.00 0.00 173.10 174.65 1u1f s VAL 219 N 0.06 4.37 -0.51 1.40 1.01 0.08 -2.04 120.40 124.77 1u1f s VAL 219 Ca 0.16 1.56 0.11 0.00 0.00 0.00 0.00 61.98 63.81 1u1f s VAL 219 Cb -0.13 -4.33 -0.12 0.00 0.00 0.00 0.00 36.38 31.80 1u1f s VAL 219 CO 0.04 -0.49 0.46 2.30 0.00 0.00 0.00 175.10 177.41 1u1f n ILE 220 N 6.01 0.00 -3.72 2.22 -5.35 -0.99 -0.45 119.36 117.08 1u1f n ILE 220 Ca 0.13 -0.24 -0.13 0.00 -0.27 0.00 0.00 62.75 62.23 1u1f n ILE 220 Cb 0.47 1.00 -0.10 0.00 -1.74 0.00 0.00 39.64 39.27 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 -2.04 0.01 -0.20 7.28 1.01 -1.24 -4.50 120.40 120.73 1u1f s VAL 221 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1u1f s VAL 221 Cb 0.08 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 1u1f s VAL 221 CO 0.45 -0.04 -0.04 0.21 0.00 0.00 0.00 175.10 175.68 1u1f s ASN 222 N -0.04 4.44 0.47 3.32 3.84 -1.26 -0.52 114.94 125.18 1u1f s ASN 222 Ca -0.02 -0.31 0.30 0.00 0.21 0.00 0.00 52.86 53.03 1u1f s ASN 222 Cb -0.03 -1.75 1.11 0.00 -0.55 0.00 0.00 41.25 40.03 1u1f s ASN 222 CO 0.01 0.04 1.87 0.03 -2.79 0.00 0.00 177.10 176.26 1u1f h ARG 223 N 7.67 0.00 0.00 0.43 2.47 -1.04 -0.79 114.38 123.12 1u1f h ARG 223 Ca -0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1u1f h ARG 223 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1u1f h ARG 223 CO 0.60 0.00 -0.91 1.79 0.56 0.00 0.00 179.97 182.01 1u1f h THR 224 N 0.00 0.00 0.00 2.04 1.35 -1.87 -3.40 112.91 111.03 1u1f h THR 224 Ca 0.00 -0.87 -0.20 0.00 -0.55 0.00 0.00 66.41 64.78 1u1f h THR 224 Cb 0.58 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 68.36 1u1f h THR 224 CO 0.00 0.00 -1.49 0.00 -0.25 0.00 0.00 175.52 173.78 1u1f n GLN 225 N -2.54 0.54 -1.57 4.72 6.02 -1.02 -5.10 117.38 118.43 1u1f n GLN 225 Ca 0.01 0.36 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 1u1f n GLN 225 Cb 0.52 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 30.22 1u1f n GLN 225 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1u1f n GLN 226 N -4.41 0.00 0.00 -1.09 7.27 -0.33 -5.08 117.38 113.73 1u1f n GLN 226 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.77 1u1f n GLN 226 Cb 0.63 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.28 1u1f n GLN 226 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1u1f n GLU 227 N 0.00 0.54 -3.27 3.69 -0.58 -1.26 -4.14 120.64 115.62 1u1f n GLU 227 Ca 0.00 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.35 1u1f n GLU 227 Cb 0.00 -0.61 -0.07 0.00 -0.57 0.00 0.00 31.44 30.19 1u1f n GLU 227 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1u1f s ILE 228 N -1.23 5.12 0.50 -3.67 -5.25 -1.26 -5.02 121.20 110.39 1u1f s ILE 228 Ca 0.00 0.91 -0.19 0.00 -0.99 0.00 0.00 60.65 60.37 1u1f s ILE 228 Cb 0.00 -3.82 -0.08 0.00 2.95 0.00 0.00 42.46 41.51 1u1f s ILE 228 CO 0.00 0.18 1.02 -2.84 -1.79 0.00 0.00 174.94 171.51 1u1f s PRO 229 N 1.65 3.81 0.23 0.37 0.02 -1.26 -5.03 135.00 134.79 1u1f s PRO 229 Ca 0.23 1.24 -0.19 0.00 0.02 0.00 0.00 61.00 62.30 1u1f s PRO 229 Cb -0.15 -2.10 -0.08 0.00 0.02 0.00 0.00 34.50 32.18 1u1f s PRO 229 CO 0.09 -0.40 0.73 1.21 -0.33 0.00 0.00 177.00 178.30 1u1f s ASN 230 N -2.29 7.04 -0.04 2.53 3.84 -1.26 -5.02 114.94 119.74 1u1f s ASN 230 Ca 0.65 1.41 -0.25 0.00 0.21 0.00 0.00 52.86 54.87 1u1f s ASN 230 Cb -0.14 -2.42 -0.20 0.00 -0.55 0.00 0.00 41.25 37.94 1u1f s ASN 230 CO 0.23 0.01 1.16 0.00 -2.79 0.00 0.00 177.10 175.71 1u1f h ALA 231 N 3.33 -0.06 -0.26 1.71 0.00 -1.99 -3.05 119.26 118.95 1u1f h ALA 231 Ca -0.48 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 1u1f h ALA 231 Cb 1.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1u1f h ALA 231 CO 0.65 -0.26 0.03 0.93 0.00 0.00 0.00 179.25 180.60 1u1f h GLU 232 N -0.61 0.44 0.00 0.00 5.08 -2.01 -3.12 114.58 114.36 1u1f h GLU 232 Ca -0.01 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 1u1f h GLU 232 Cb 0.54 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1u1f h GLU 232 CO 0.01 0.58 -0.43 1.79 -1.00 0.00 0.00 179.01 179.96 1u1f h THR 233 N 0.24 1.27 -0.67 1.13 1.35 -2.00 -2.68 112.91 111.55 1u1f h THR 233 Ca 0.08 -1.47 0.01 0.00 -0.55 0.00 0.00 66.41 64.47 1u1f h THR 233 Cb 0.36 1.80 -0.03 0.00 -1.73 0.00 0.00 68.15 68.55 1u1f h THR 233 CO 0.01 0.42 0.44 -0.03 -0.25 0.00 0.00 175.52 176.11 1u1f h MET 234 N 0.00 0.88 -0.23 4.72 -1.53 -1.47 0.28 114.93 117.59 1u1f h MET 234 Ca -0.00 -0.05 -0.14 0.00 -3.44 0.00 0.00 59.70 56.06 1u1f h MET 234 Cb 0.77 -0.20 -0.01 0.00 -0.55 0.00 0.00 31.60 31.61 1u1f h MET 234 CO 0.06 0.58 -0.45 0.87 0.14 0.00 0.00 176.91 178.11 1u1f h LYS 235 N 0.91 0.57 -0.22 0.39 1.57 -1.51 -1.71 116.57 116.57 1u1f h LYS 235 Ca 0.25 -0.31 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 1u1f h LYS 235 Cb -0.11 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1u1f h LYS 235 CO -0.05 0.90 -0.51 1.96 -0.57 0.00 0.00 179.45 181.18 1u1f h GLN 236 N 0.46 0.61 -0.26 3.15 1.08 -1.13 -1.98 115.11 117.03 1u1f h GLN 236 Ca 0.03 -0.36 -0.15 0.00 -1.45 0.00 0.00 58.65 56.72 1u1f h GLN 236 Cb 0.96 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.43 1u1f h GLN 236 CO 0.09 0.97 -0.42 1.15 -0.95 0.00 0.00 178.83 179.67 1u1f h THR 237 N 0.48 1.30 -0.82 -0.54 2.02 -0.42 -2.31 112.91 112.61 1u1f h THR 237 Ca 0.02 -1.61 0.01 0.00 0.77 0.00 0.00 66.41 65.60 1u1f h THR 237 Cb 1.05 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 69.11 1u1f h THR 237 CO 0.10 0.52 0.54 -0.08 0.37 0.00 0.00 175.52 176.97 1u1f h GLU 238 N 0.48 1.07 -0.74 6.66 4.81 -1.31 -1.99 114.58 123.56 1u1f h GLU 238 Ca 0.02 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1u1f h GLU 238 Cb 1.01 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 1u1f h GLU 238 CO 0.10 0.71 0.36 0.77 -0.73 0.00 0.00 179.01 180.22 1u1f h SER 239 N 1.10 0.96 -0.15 1.04 0.02 -1.28 -1.25 113.55 113.99 1u1f h SER 239 Ca 0.30 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1u1f h SER 239 Cb -0.11 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.17 1u1f h SER 239 CO -0.07 0.82 0.05 -0.74 -1.14 0.00 0.00 176.83 175.75 1u1f h HIS 240 N 1.03 0.25 -0.38 3.45 2.76 -1.16 -2.44 115.15 118.66 1u1f h HIS 240 Ca 0.25 -0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.28 1u1f h HIS 240 Cb 0.11 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1u1f h HIS 240 CO 0.01 0.34 -0.24 0.00 -1.30 0.00 0.00 177.93 176.74 1u1f h ALA 241 N 0.87 0.87 -0.40 5.26 0.00 -1.28 -2.50 119.26 122.08 1u1f h ALA 241 Ca 0.05 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1u1f h ALA 241 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1u1f h ALA 241 CO -0.00 0.63 -0.01 0.28 0.00 0.00 0.00 179.25 180.15 1u1f h VAL 242 N 0.66 1.22 -0.56 0.00 2.07 -1.22 -0.69 116.25 117.73 1u1f h VAL 242 Ca 0.09 -0.91 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1u1f h VAL 242 Cb 0.75 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1u1f h VAL 242 CO 0.06 0.31 0.20 0.50 0.02 0.00 0.00 177.57 178.66 1u1f h LYS 243 N 0.61 0.85 -0.27 1.57 3.64 -1.20 -2.59 116.57 119.18 1u1f h LYS 243 Ca 0.12 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1u1f h LYS 243 Cb 0.40 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1u1f h LYS 243 CO 0.02 0.76 0.04 0.82 -2.27 0.00 0.00 179.45 178.81 1u1f h ILE 244 N 0.77 1.24 -0.47 2.00 2.04 -0.97 -1.70 117.51 120.41 1u1f h ILE 244 Ca 0.18 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 65.18 1u1f h ILE 244 Cb 0.24 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1u1f h ILE 244 CO -0.01 0.26 0.09 1.62 0.00 0.00 0.00 178.15 180.11 1u1f h VAL 245 N 0.27 1.22 -0.28 1.67 3.04 -1.13 0.19 116.25 121.22 1u1f h VAL 245 Ca 0.08 -0.80 -0.15 0.00 -1.01 0.00 0.00 66.70 64.82 1u1f h VAL 245 Cb 0.35 0.76 -0.00 0.00 -2.01 0.00 0.00 31.29 30.39 1u1f h VAL 245 CO 0.01 0.29 -0.41 0.58 -1.01 0.00 0.00 177.57 177.03 1u1f h VAL 246 N 0.70 1.30 -0.38 1.51 2.07 -1.42 -1.43 116.25 118.60 1u1f h VAL 246 Ca 0.15 -1.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.01 1u1f h VAL 246 Cb 0.31 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1u1f h VAL 246 CO 0.00 0.51 -0.03 -0.08 0.02 0.00 0.00 177.57 177.99 1u1f h GLU 247 N 0.52 0.62 -0.26 1.57 4.57 -0.91 -1.86 114.58 118.82 1u1f h GLU 247 Ca 0.03 -0.16 -0.15 0.00 -1.18 0.00 0.00 59.36 57.90 1u1f h GLU 247 Cb 1.00 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 1u1f h GLU 247 CO 0.09 0.66 -0.45 0.00 -1.18 0.00 0.00 179.01 178.14 1u1f h ALA 248 N 1.39 0.72 -0.30 2.92 0.00 -0.56 -2.99 119.26 120.44 1u1f h ALA 248 Ca 0.12 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1u1f h ALA 248 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1u1f h ALA 248 CO 0.02 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.95 1u1f h ALA 249 N 0.96 1.47 -0.97 0.00 0.00 -0.90 -2.33 119.26 117.49 1u1f h ALA 249 Ca 0.04 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1u1f h ALA 249 Cb 0.99 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1u1f h ALA 249 CO 0.09 0.38 0.63 0.00 0.00 0.00 0.00 179.25 180.36 1u1f h ARG 250 N 0.44 1.14 0.00 0.00 3.08 -1.20 -2.66 114.38 115.18 1u1f h ARG 250 Ca 0.10 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1u1f h ARG 250 Cb 0.27 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1u1f h ARG 250 CO 0.01 0.75 0.00 0.00 -1.07 0.00 0.00 179.97 179.66 1u1f h ARG 251 N 1.17 0.00 -0.03 0.04 3.08 -1.39 -3.28 114.38 113.96 1u1f h ARG 251 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1u1f h ARG 251 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1u1f h ARG 251 CO -0.14 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.04 1u1f n LEU 252 N -2.35 2.37 0.00 3.04 4.77 -1.02 -5.05 117.00 118.76 1u1f n LEU 252 Ca 0.05 -1.03 0.11 0.00 -0.03 0.00 0.00 56.01 55.11 1u1f n LEU 252 Cb 0.42 -0.01 0.68 0.00 -2.33 0.00 0.00 43.42 42.18 1u1f n LEU 252 CO 0.30 0.43 0.86 0.18 -1.33 0.00 0.00 177.39 177.83