#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1f s SER 4 N 0.00 -0.20 0.03 4.39 0.15 -1.26 -4.58 113.70 112.23 1u1f s SER 4 Ca 0.00 0.39 0.22 0.00 0.70 0.00 0.00 55.95 57.27 1u1f s SER 4 Cb 0.00 0.36 -0.05 0.00 -1.71 0.00 0.00 66.02 64.62 1u1f s SER 4 CO 0.00 -0.09 0.94 0.47 1.20 0.00 0.00 173.24 175.76 1u1f n ASP 5 N 3.37 0.61 -4.76 5.45 8.00 -0.67 -4.97 116.55 123.59 1u1f n ASP 5 Ca -0.17 -0.35 -0.28 0.00 0.71 0.00 0.00 54.79 54.70 1u1f n ASP 5 Cb 0.57 0.98 -0.07 0.00 -0.02 0.00 0.00 41.12 42.58 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 -3.19 1.78 -0.06 2.53 -7.23 -1.22 -5.06 120.40 107.94 1u1f s VAL 6 Ca 0.03 -1.80 -0.01 0.00 -1.81 0.00 0.00 61.98 58.40 1u1f s VAL 6 Cb 0.15 -2.58 -0.26 0.00 0.56 0.00 0.00 36.38 34.24 1u1f s VAL 6 CO 0.83 0.00 0.59 -0.26 -0.31 0.00 0.00 175.10 175.95 1u1f h PHE 7 N 1.33 0.35 0.00 2.82 0.04 -1.94 -3.43 116.94 116.12 1u1f h PHE 7 Ca -0.42 -0.26 -0.04 0.00 2.80 0.00 0.00 57.97 60.04 1u1f h PHE 7 Cb 1.28 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.41 1u1f h PHE 7 CO 0.98 1.46 -1.17 0.72 -0.60 0.00 0.00 178.31 179.71 1u1f n HIS 8 N -3.36 0.00 0.21 -0.55 8.25 -1.26 -4.76 115.22 113.75 1u1f n HIS 8 Ca -0.23 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.29 1u1f n HIS 8 Cb 1.05 -0.11 0.46 0.00 1.12 0.00 0.00 29.99 32.51 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 -0.01 0.00 -1.51 2.41 3.38 -1.92 -3.44 115.31 114.22 1u1f h LEU 9 Ca -0.07 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.71 1u1f h LEU 9 Cb 1.10 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.94 1u1f h LEU 9 CO -0.01 0.29 -0.40 0.61 0.09 0.00 0.00 178.44 179.02 1u1f n GLY 10 N -0.34 0.05 3.13 0.83 0.00 -1.26 -4.69 105.19 102.92 1u1f n GLY 10 Ca -0.01 -0.17 -0.17 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 -4.39 2.27 0.30 0.99 1.43 -1.26 -4.81 118.68 113.21 1u1f s LEU 11 Ca 0.11 -0.59 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 1u1f s LEU 11 Cb -0.05 -0.40 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 1u1f s LEU 11 CO 0.40 -0.12 0.13 0.42 0.23 0.00 0.00 176.35 177.40 1u1f s THR 12 N -1.31 3.51 0.48 5.49 -4.23 -1.26 -1.67 115.64 116.64 1u1f s THR 12 Ca -0.05 -1.67 0.13 0.00 -1.18 0.00 0.00 61.69 58.93 1u1f s THR 12 Cb -0.10 -3.05 0.27 0.00 1.34 0.00 0.00 72.50 70.97 1u1f s THR 12 CO 0.02 -0.28 2.11 0.50 -0.54 0.00 0.00 174.62 176.43 1u1f h LYS 13 N 1.61 0.21 0.00 3.99 3.64 -1.95 -2.24 116.57 121.83 1u1f h LYS 13 Ca -0.45 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.84 1u1f h LYS 13 Cb 1.25 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 1u1f h LYS 13 CO 0.61 0.14 -0.37 -0.97 -2.27 0.00 0.00 179.45 176.59 1u1f h ASN 14 N 0.22 0.00 0.14 4.20 -1.24 -1.95 -2.94 115.58 114.01 1u1f h ASN 14 Ca 0.07 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.04 1u1f h ASN 14 Cb 0.01 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 1u1f h ASN 14 CO -0.01 0.37 -0.16 0.44 -1.29 0.00 0.00 177.43 176.78 1u1f h ASP 15 N 0.00 0.04 0.71 1.15 3.32 -1.81 -3.02 116.42 116.81 1u1f h ASP 15 Ca -0.00 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 1u1f h ASP 15 Cb 0.72 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 1u1f h ASP 15 CO 0.05 0.21 -0.66 -0.07 -1.72 0.00 0.00 179.24 177.04 1u1f h LEU 16 N 0.05 0.00 2.08 1.55 3.38 -1.60 -3.48 115.31 117.28 1u1f h LEU 16 Ca 0.01 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.60 1u1f h LEU 16 Cb 0.31 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1u1f h LEU 16 CO 0.02 0.66 -0.44 0.00 0.09 0.00 0.00 178.44 178.78 1u1f n GLN 17 N -3.70 -1.44 -0.71 1.13 6.02 -1.14 -2.47 117.38 115.07 1u1f n GLN 17 Ca -0.01 1.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.98 1u1f n GLN 17 Cb 0.66 -5.46 0.00 0.00 1.02 0.00 0.00 30.24 26.46 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 -0.90 0.61 3.75 1.08 0.00 -1.26 -4.90 105.19 103.58 1u1f n GLY 18 Ca -0.21 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 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 3.62 -0.17 4.61 0.00 -1.03 -4.92 121.76 121.86 1u1f s ALA 19 Ca 0.00 1.38 0.05 0.00 0.00 0.00 0.00 51.96 53.39 1u1f s ALA 19 Cb 0.00 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 1u1f s ALA 19 CO 0.00 -0.80 0.18 0.25 0.00 0.00 0.00 175.76 175.40 1u1f n THR 20 N 1.91 0.00 -4.68 0.00 -2.24 -1.26 -4.35 114.28 103.66 1u1f n THR 20 Ca 0.05 -0.32 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 1u1f n THR 20 Cb 0.40 0.84 -0.12 0.00 -2.10 0.00 0.00 70.33 69.35 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 -2.52 3.03 -0.06 3.22 0.20 -1.26 -0.71 118.68 120.58 1u1f s LEU 21 Ca 0.01 -0.11 -0.00 0.00 0.69 0.00 0.00 54.13 54.72 1u1f s LEU 21 Cb 0.04 -1.66 0.02 0.00 -0.43 0.00 0.00 46.19 44.16 1u1f s LEU 21 CO 0.20 0.32 -0.03 0.00 -0.29 0.00 0.00 176.35 176.55 1u1f s ALA 22 N -0.54 0.73 -0.21 5.97 0.00 -0.01 -2.36 121.76 125.35 1u1f s ALA 22 Ca 0.08 -0.12 -0.24 0.00 0.00 0.00 0.00 51.96 51.68 1u1f s ALA 22 Cb -0.12 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 1u1f s ALA 22 CO 0.02 -0.22 0.77 0.42 0.00 0.00 0.00 175.76 176.75 1u1f s ILE 23 N 1.40 4.90 -0.45 0.00 1.01 -0.03 -1.09 121.20 126.94 1u1f s ILE 23 Ca -0.03 1.48 0.03 0.00 0.00 0.00 0.00 60.65 62.13 1u1f s ILE 23 Cb -0.13 -4.08 0.12 0.00 0.01 0.00 0.00 42.46 38.38 1u1f s ILE 23 CO -0.03 0.01 0.18 0.68 0.00 0.00 0.00 174.94 175.79 1u1f s VAL 24 N 2.35 2.61 0.65 2.92 -7.23 0.10 -1.85 120.40 119.96 1u1f s VAL 24 Ca 0.34 -2.79 -0.10 0.00 -1.81 0.00 0.00 61.98 57.62 1u1f s VAL 24 Cb -0.16 -2.84 -0.00 0.00 0.56 0.00 0.00 36.38 33.94 1u1f s VAL 24 CO 0.10 -0.72 1.03 -2.16 -0.31 0.00 0.00 175.10 173.04 1u1f s PRO 25 N 0.33 3.08 0.06 4.82 0.04 -1.24 -3.20 135.00 138.88 1u1f s PRO 25 Ca 0.14 0.43 -0.08 0.00 0.04 0.00 0.00 61.00 61.53 1u1f s PRO 25 Cb -0.22 -2.10 -0.31 0.00 0.04 0.00 0.00 34.50 31.91 1u1f s PRO 25 CO -0.04 -0.82 1.09 0.78 0.04 0.00 0.00 177.00 178.05 1u1f h GLY 26 N -0.44 0.42 -5.81 0.56 0.00 -1.82 -0.91 103.07 95.07 1u1f h GLY 26 Ca -0.45 -1.08 -0.59 0.00 0.00 0.00 0.00 47.33 45.21 1u1f h GLY 26 CO 0.63 0.94 0.28 -0.35 0.00 0.00 0.00 176.54 178.05 1u1f s ASP 27 N -7.30 6.79 0.52 0.19 2.15 -1.26 -2.00 116.67 115.75 1u1f s ASP 27 Ca -0.06 0.97 0.18 0.00 0.43 0.00 0.00 52.55 54.07 1u1f s ASP 27 Cb 0.06 -2.40 1.28 0.00 -0.30 0.00 0.00 42.92 41.56 1u1f s ASP 27 CO 0.91 -0.38 2.11 -0.65 -0.17 0.00 0.00 175.17 176.99 1u1f h PRO 28 N 7.53 0.03 0.00 4.34 0.11 -1.88 -2.16 132.00 139.96 1u1f h PRO 28 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1u1f h PRO 28 Cb 1.13 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1u1f h PRO 28 CO 0.81 0.02 0.00 -0.44 -0.21 0.00 0.00 178.00 178.18 1u1f h ASP 29 N 0.03 0.00 1.60 -2.05 5.19 -1.98 -3.11 116.42 116.10 1u1f h ASP 29 Ca 0.07 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1u1f h ASP 29 Cb 0.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 1u1f h ASP 29 CO -0.00 0.00 -0.10 -0.09 -3.12 0.00 0.00 179.24 175.93 1u1f h ARG 30 N 0.00 0.00 -0.38 3.56 2.43 -1.80 -3.34 114.38 114.85 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 0.74 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.25 1u1f h ARG 30 CO 0.00 0.10 0.16 0.28 -1.51 0.00 0.00 179.97 179.00 1u1f h VAL 31 N 0.00 0.93 -0.66 0.20 2.07 -1.62 -1.70 116.25 115.49 1u1f h VAL 31 Ca -0.00 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1u1f h VAL 31 Cb 0.92 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1u1f h VAL 31 CO 0.01 0.06 0.15 -0.08 0.02 0.00 0.00 177.57 177.73 1u1f h GLU 32 N 0.34 1.04 -0.58 1.57 4.81 -1.78 -2.05 114.58 117.94 1u1f h GLU 32 Ca 0.17 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1u1f h GLU 32 Cb 0.11 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1u1f h GLU 32 CO -0.15 0.93 0.35 0.87 -0.73 0.00 0.00 179.01 180.28 1u1f h LYS 33 N 0.99 0.78 -0.21 1.92 1.57 -1.58 -1.18 116.57 118.86 1u1f h LYS 33 Ca 0.21 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 1u1f h LYS 33 Cb 0.36 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1u1f h LYS 33 CO 0.00 0.56 -0.20 0.82 -0.57 0.00 0.00 179.45 180.07 1u1f h ILE 34 N 0.78 1.32 -0.10 1.86 2.04 -1.23 -3.18 117.51 119.01 1u1f h ILE 34 Ca 0.21 -1.35 -0.04 0.00 1.00 0.00 0.00 64.86 64.68 1u1f h ILE 34 Cb -0.02 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1u1f h ILE 34 CO -0.04 0.41 -0.11 0.00 0.00 0.00 0.00 178.15 178.42 1u1f h ALA 35 N 0.66 1.64 0.00 1.87 0.00 -1.27 -2.48 119.26 119.68 1u1f h ALA 35 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1u1f h ALA 35 Cb 0.74 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1u1f h ALA 35 CO 0.05 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1u1f h ALA 36 N 1.75 1.00 0.00 0.00 0.00 -1.19 -2.75 119.26 118.07 1u1f h ALA 36 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1u1f h ALA 36 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1u1f h ALA 36 CO 0.02 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.20 1u1f h LEU 37 N 0.00 0.00-10.32 0.00 -0.00 -1.46 -3.46 115.31 100.07 1u1f h LEU 37 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 57.88 57.34 1u1f h LEU 37 Cb 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.21 1u1f h LEU 37 CO 0.00 0.00 -0.30 -0.04 -0.00 0.00 0.00 178.44 178.10 1u1f s MET 38 N -3.21 2.35 0.28 1.13 -1.94 -1.04 -5.11 119.30 111.75 1u1f s MET 38 Ca 0.08 -1.80 -0.24 0.00 -1.71 0.00 0.00 55.69 52.02 1u1f s MET 38 Cb 0.09 -2.27 -0.09 0.00 2.01 0.00 0.00 34.83 34.57 1u1f s MET 38 CO 0.60 -0.50 0.86 -0.51 -0.01 0.00 0.00 175.02 175.45 1u1f s ASP 39 N -4.28 7.25 -0.70 3.03 1.01 -0.10 -4.51 116.67 118.38 1u1f s ASP 39 Ca 0.43 1.68 -0.06 0.00 0.71 0.00 0.00 52.55 55.31 1u1f s ASP 39 Cb -0.03 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.39 1u1f s ASP 39 CO 0.26 -0.01 0.65 0.29 0.21 0.00 0.00 175.17 176.57 1u1f n LYS 40 N 0.71 -1.59 -3.00 8.23 5.02 -1.26 0.37 118.16 126.63 1u1f n LYS 40 Ca -0.00 1.31 -0.40 0.00 -2.02 0.00 0.00 58.31 57.20 1u1f n LYS 40 Cb 0.50 -4.17 -0.05 0.00 -0.02 0.00 0.00 35.03 31.29 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 -3.58 4.48 -0.10 1.97 0.04 -1.26 -4.16 135.00 132.39 1u1f s PRO 41 Ca 0.07 1.02 -0.07 0.00 0.04 0.00 0.00 61.00 62.07 1u1f s PRO 41 Cb -0.01 -3.37 0.04 0.00 0.04 0.00 0.00 34.50 31.19 1u1f s PRO 41 CO 0.82 0.25 0.24 0.54 0.04 0.00 0.00 177.00 178.89 1u1f s VAL 42 N 0.07 -0.02 0.16 -0.36 0.11 -0.33 -5.01 120.40 115.02 1u1f s VAL 42 Ca 0.38 0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 59.21 1u1f s VAL 42 Cb -0.20 -0.36 -0.07 0.00 -1.53 0.00 0.00 36.38 34.22 1u1f s VAL 42 CO 0.22 0.03 1.16 -0.75 -3.33 0.00 0.00 175.10 172.43 1u1f s LYS 43 N 0.74 4.52 -0.15 1.54 2.20 -1.26 -0.68 119.74 126.65 1u1f s LYS 43 Ca -0.05 1.79 -0.12 0.00 -0.36 0.00 0.00 55.97 57.24 1u1f s LYS 43 Cb -0.06 -3.28 -0.06 0.00 -1.51 0.00 0.00 37.83 32.92 1u1f s LYS 43 CO -0.05 -0.06 -0.26 1.28 -0.36 0.00 0.00 175.35 175.91 1u1f n LEU 44 N 2.75 1.57 -3.60 5.43 4.77 -0.02 -4.91 117.00 122.98 1u1f n LEU 44 Ca 0.05 0.26 -0.15 0.00 -0.03 0.00 0.00 56.01 56.14 1u1f n LEU 44 Cb 0.46 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 1u1f n LEU 44 CO 0.55 -0.01 0.27 0.00 -1.33 0.00 0.00 177.39 176.87 1u1f s ALA 45 N -2.52 -1.34 -0.35 -1.18 0.00 -1.12 -5.01 121.76 110.25 1u1f s ALA 45 Ca -0.24 0.76 -0.00 0.00 0.00 0.00 0.00 51.96 52.48 1u1f s ALA 45 Cb 0.07 0.19 0.14 0.00 0.00 0.00 0.00 23.12 23.51 1u1f s ALA 45 CO 0.33 -0.40 0.22 0.45 0.00 0.00 0.00 175.76 176.35 1u1f s SER 46 N -1.57 2.86 -0.08 0.00 0.15 -1.26 -0.39 113.70 113.40 1u1f s SER 46 Ca -0.09 -2.06 0.04 0.00 0.70 0.00 0.00 55.95 54.54 1u1f s SER 46 Cb -0.01 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1u1f s SER 46 CO 0.03 -0.32 -0.20 -1.00 1.20 0.00 0.00 173.24 172.96 1u1f s HIS 47 N 1.19 2.18 0.00 3.44 3.76 -0.47 -4.98 115.29 120.41 1u1f s HIS 47 Ca 0.17 -0.85 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 1u1f s HIS 47 Cb -0.22 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 31.99 1u1f s HIS 47 CO -0.02 -0.36 0.00 0.54 -0.85 0.00 0.00 174.74 174.05 1u1f n ARG 48 N 3.56 0.00 -0.07 1.40 1.74 -1.26 -0.43 116.66 121.60 1u1f n ARG 48 Ca -0.20 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 56.95 1u1f n ARG 48 Cb 0.53 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 32.07 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 1.86 1.58 -3.48 5.56 0.00 -1.26 -4.92 120.64 119.99 1u1f n GLU 49 Ca 0.00 -1.63 -0.43 0.00 0.00 0.00 0.00 57.16 55.10 1u1f n GLU 49 Cb 0.00 -1.31 -0.09 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 -1.17 3.28 -0.17 -1.84 0.40 0.43 -4.23 117.98 114.67 1u1f s PHE 50 Ca 0.21 -1.16 -0.04 0.00 -0.60 0.00 0.00 56.93 55.34 1u1f s PHE 50 Cb 0.14 -3.07 -0.02 0.00 0.51 0.00 0.00 43.02 40.57 1u1f s PHE 50 CO 0.19 -0.81 -0.03 0.99 0.70 0.00 0.00 175.22 176.26 1u1f s THR 51 N 1.56 3.81 -0.10 0.64 2.01 -1.26 -1.37 115.64 120.93 1u1f s THR 51 Ca 0.04 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 61.70 1u1f s THR 51 Cb -0.24 -2.69 -0.00 0.00 0.01 0.00 0.00 72.50 69.58 1u1f s THR 51 CO 0.05 0.47 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.32 1u1f s THR 52 N 0.65 2.09 0.06 -0.82 2.01 0.47 -1.70 115.64 118.40 1u1f s THR 52 Ca -0.02 -1.01 0.08 0.00 0.31 0.00 0.00 61.69 61.05 1u1f s THR 52 Cb -0.14 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 1u1f s THR 52 CO 0.02 0.56 -0.21 0.26 -0.69 0.00 0.00 174.62 174.56 1u1f s TRP 53 N 0.33 1.84 -0.10 4.92 0.52 0.65 -0.85 118.94 126.26 1u1f s TRP 53 Ca -0.19 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 55.55 1u1f s TRP 53 Cb -0.18 -1.07 -0.03 0.00 -1.15 0.00 0.00 33.47 31.05 1u1f s TRP 53 CO 0.09 0.13 -0.08 0.50 0.02 0.00 0.00 176.95 177.61 1u1f s ARG 54 N -1.41 3.03 0.38 4.98 3.52 0.14 -0.55 118.95 129.04 1u1f s ARG 54 Ca 0.08 -0.58 0.06 0.00 -0.13 0.00 0.00 55.73 55.15 1u1f s ARG 54 Cb -0.09 -2.64 -0.02 0.00 -1.56 0.00 0.00 34.95 30.63 1u1f s ARG 54 CO 0.03 0.49 0.22 0.00 -0.81 0.00 0.00 175.30 175.23 1u1f s ALA 55 N -0.34 2.44 -0.05 6.12 0.00 0.29 -1.18 121.76 129.03 1u1f s ALA 55 Ca 0.05 -1.64 0.02 0.00 0.00 0.00 0.00 51.96 50.39 1u1f s ALA 55 Cb -0.12 1.15 0.01 0.00 0.00 0.00 0.00 23.12 24.16 1u1f s ALA 55 CO 0.02 -0.52 -0.08 -2.00 0.00 0.00 0.00 175.76 173.18 1u1f s GLU 56 N -3.52 1.17 -0.12 0.00 2.12 0.16 0.03 118.70 118.53 1u1f s GLU 56 Ca 0.32 -0.26 -0.00 0.00 0.36 0.00 0.00 54.97 55.38 1u1f s GLU 56 Cb 0.02 -1.05 0.02 0.00 0.26 0.00 0.00 34.13 33.38 1u1f s GLU 56 CO 0.22 0.01 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.69 1u1f s LEU 57 N 0.63 1.32 -1.83 2.70 2.96 0.12 -0.92 118.68 123.65 1u1f s LEU 57 Ca -0.11 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 1u1f s LEU 57 Cb -0.13 -0.91 0.00 0.00 0.50 0.00 0.00 46.19 45.64 1u1f s LEU 57 CO 0.02 -0.09 0.00 0.47 -1.32 0.00 0.00 176.35 175.42 1u1f n ASP 58 N 4.83 -4.89 0.00 3.68 9.92 -1.26 -1.23 116.55 127.60 1u1f n ASP 58 Ca -0.14 0.35 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 1u1f n ASP 58 Cb 0.50 -4.31 0.00 0.00 -0.64 0.00 0.00 41.12 36.67 1u1f n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1u1f n GLY 59 N -0.48 2.69 3.75 0.44 0.00 -1.26 -5.06 105.19 105.27 1u1f n GLY 59 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.23 4.27 0.40 1.61 1.02 -0.36 -5.04 119.74 121.41 1u1f s LYS 60 Ca 0.00 0.54 -0.26 0.00 0.02 0.00 0.00 55.97 56.28 1u1f s LYS 60 Cb 0.00 -3.38 -0.08 0.00 -0.52 0.00 0.00 37.83 33.85 1u1f s LYS 60 CO 0.00 0.30 1.21 -1.25 -0.92 0.00 0.00 175.35 174.69 1u1f s PRO 61 N 0.12 4.03 -0.01 -1.68 0.04 -1.26 0.11 135.00 136.36 1u1f s PRO 61 Ca 0.27 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.28 1u1f s PRO 61 Cb -0.16 -2.71 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 1u1f s PRO 61 CO 0.13 -0.37 -0.08 0.08 0.04 0.00 0.00 177.00 176.80 1u1f s VAL 62 N -1.36 0.66 -0.14 -0.36 1.01 0.10 -4.53 120.40 115.79 1u1f s VAL 62 Ca 0.57 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 1u1f s VAL 62 Cb -0.33 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1u1f s VAL 62 CO 0.42 0.18 0.09 -0.63 0.00 0.00 0.00 175.10 175.16 1u1f s ILE 63 N -0.22 5.09 -0.14 2.22 -1.09 -1.00 -0.55 121.20 125.52 1u1f s ILE 63 Ca 0.03 0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.53 1u1f s ILE 63 Cb -0.03 -3.24 0.01 0.00 -1.58 0.00 0.00 42.46 37.61 1u1f s ILE 63 CO -0.00 0.55 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.36 1u1f s VAL 64 N -0.43 2.21 -0.08 2.92 1.01 0.29 -0.85 120.40 125.47 1u1f s VAL 64 Ca 0.11 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 1u1f s VAL 64 Cb -0.12 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.41 1u1f s VAL 64 CO 0.02 0.54 0.19 0.00 0.00 0.00 0.00 175.10 175.85 1u1f s SER 66 N 1.39 7.45 -0.01 0.00 1.04 -0.69 -3.66 113.70 119.22 1u1f s SER 66 Ca -0.07 2.12 0.21 0.00 0.48 0.00 0.00 55.95 58.68 1u1f s SER 66 Cb -0.11 -2.62 -0.25 0.00 0.10 0.00 0.00 66.02 63.14 1u1f s SER 66 CO -0.07 -0.00 0.55 0.35 0.98 0.00 0.00 173.24 175.05 1u1f n THR 67 N 1.32 0.44 -0.00 2.02 -2.24 -0.34 -4.28 114.28 111.20 1u1f n THR 67 Ca -0.02 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1u1f n THR 67 Cb 0.46 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 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 1.33 -2.30 3.71 3.38 0.00 -0.85 -3.55 105.19 106.91 1u1f n GLY 68 Ca -0.08 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.00 4.92 0.00 -0.61 1.01 -1.26 -4.61 121.20 119.65 1u1f s ILE 69 Ca 0.00 1.81 0.00 0.00 0.00 0.00 0.00 60.65 62.46 1u1f s ILE 69 Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1u1f s ILE 69 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1u1f n GLY 70 N 3.05 1.71 0.25 6.18 0.00 -1.25 -4.74 105.19 110.39 1u1f n GLY 70 Ca 0.04 -1.84 -0.06 0.00 0.00 0.00 0.00 46.02 44.15 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 0.87 0.07 -0.02 0.00 -1.87 -2.88 103.07 99.24 1u1f h GLY 71 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.04 1u1f h GLY 71 CO 0.00 0.33 -0.35 -2.55 0.00 0.00 0.00 176.54 173.98 1u1f h PRO 72 N 0.83 -0.39 -0.01 4.80 0.11 -1.95 0.24 132.00 135.64 1u1f h PRO 72 Ca 0.22 0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.21 1u1f h PRO 72 Cb -0.07 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 1u1f h PRO 72 CO -0.05 -0.26 -0.68 0.66 -0.21 0.00 0.00 178.00 177.47 1u1f h SER 73 N -0.40 0.05 -0.85 -2.05 4.64 -1.82 -2.88 113.55 110.24 1u1f h SER 73 Ca 0.10 -0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.42 1u1f h SER 73 Cb 0.57 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.59 1u1f h SER 73 CO -0.39 0.71 0.55 0.74 -0.87 0.00 0.00 176.83 177.57 1u1f h THR 74 N 0.03 1.15 -0.12 2.95 2.02 -1.23 -1.33 112.91 116.37 1u1f h THR 74 Ca -0.01 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 1u1f h THR 74 Cb 1.20 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1u1f h THR 74 CO 0.09 0.20 -0.25 0.77 0.37 0.00 0.00 175.52 176.69 1u1f h SER 75 N 1.08 0.21 -0.01 4.18 4.64 -0.33 -0.38 113.55 122.95 1u1f h SER 75 Ca 0.33 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1u1f h SER 75 Cb -0.02 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1u1f h SER 75 CO -0.11 0.48 -0.01 0.40 -0.87 0.00 0.00 176.83 176.72 1u1f h ILE 76 N 0.20 1.33 -0.24 0.95 2.04 -1.30 -2.59 117.51 117.90 1u1f h ILE 76 Ca 0.03 -0.98 0.01 0.00 1.00 0.00 0.00 64.86 64.92 1u1f h ILE 76 Cb 0.56 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 1u1f h ILE 76 CO 0.04 0.26 0.13 0.00 0.00 0.00 0.00 178.15 178.57 1u1f h ALA 77 N 0.59 0.29 -0.32 1.87 0.00 -0.92 -1.47 119.26 119.31 1u1f h ALA 77 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1u1f h ALA 77 Cb 0.42 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1u1f h ALA 77 CO 0.00 -0.27 -0.18 0.28 0.00 0.00 0.00 179.25 179.08 1u1f h VAL 78 N 0.27 1.29 -0.08 0.00 2.07 -1.18 -1.87 116.25 116.75 1u1f h VAL 78 Ca 0.10 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1u1f h VAL 78 Cb 0.02 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1u1f h VAL 78 CO -0.06 0.42 0.04 -0.08 0.02 0.00 0.00 177.57 177.91 1u1f h GLU 79 N 0.45 0.10 0.00 1.57 4.57 -1.41 -1.46 114.58 118.40 1u1f h GLU 79 Ca 0.07 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.13 1u1f h GLU 79 Cb 0.72 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.27 1u1f h GLU 79 CO 0.05 0.13 -0.53 0.93 -1.18 0.00 0.00 179.01 178.41 1u1f h GLU 80 N 0.05 0.00 -0.22 1.92 5.08 -1.27 -1.61 114.58 118.53 1u1f h GLU 80 Ca 0.03 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 1u1f h GLU 80 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1u1f h GLU 80 CO -0.00 0.53 -0.50 -0.07 -1.00 0.00 0.00 179.01 177.96 1u1f h LEU 81 N 0.00 0.67 -1.00 1.33 3.38 -1.27 -2.77 115.31 115.65 1u1f h LEU 81 Ca -0.01 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 1u1f h LEU 81 Cb 0.96 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1u1f h LEU 81 CO 0.07 1.05 -0.19 0.00 0.09 0.00 0.00 178.44 179.46 1u1f h ALA 82 N 0.96 1.16 -0.01 1.53 0.00 -0.87 -0.77 119.26 121.27 1u1f h ALA 82 Ca 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1u1f h ALA 82 Cb 1.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1u1f h ALA 82 CO 0.10 0.53 -0.24 1.96 0.00 0.00 0.00 179.25 181.60 1u1f h GLN 83 N 0.45 0.02 0.00 0.00 4.20 -1.24 -2.76 115.11 115.77 1u1f h GLN 83 Ca 0.07 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1u1f h GLN 83 Cb 0.59 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1u1f h GLN 83 CO 0.04 0.25 -0.38 1.28 -0.67 0.00 0.00 178.83 179.35 1u1f n LEU 84 N -4.25 0.38 0.00 1.46 4.77 -0.81 -4.94 117.00 113.62 1u1f n LEU 84 Ca -0.02 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1u1f n LEU 84 Cb 0.30 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1u1f n LEU 84 CO 0.37 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1u1f n GLY 85 N 1.50 1.50 3.71 -0.72 0.00 -0.74 -4.80 105.19 105.64 1u1f n GLY 85 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 4.96 -0.03 -0.61 -1.09 -0.37 -4.45 121.20 117.61 1u1f s ILE 86 Ca 0.00 1.72 0.05 0.00 -2.23 0.00 0.00 60.65 60.18 1u1f s ILE 86 Cb 0.00 -4.16 -0.07 0.00 -1.58 0.00 0.00 42.46 36.65 1u1f s ILE 86 CO 0.00 0.22 0.06 0.54 -1.23 0.00 0.00 174.94 174.52 1u1f n ARG 87 N 3.79 1.91 -4.43 2.79 5.12 0.11 -4.10 116.66 121.85 1u1f n ARG 87 Ca 0.02 -0.02 -0.34 0.00 -1.93 0.00 0.00 57.85 55.58 1u1f n ARG 87 Cb 0.51 -1.12 -0.14 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 -2.22 3.31 -0.15 0.55 2.01 -0.71 -1.03 115.64 117.41 1u1f s THR 88 Ca -0.02 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.45 1u1f s THR 88 Cb 0.02 -2.44 0.01 0.00 0.01 0.00 0.00 72.50 70.11 1u1f s THR 88 CO 0.20 0.49 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.05 1u1f s PHE 89 N 0.70 2.61 -0.26 4.92 0.40 0.46 -0.83 117.98 125.98 1u1f s PHE 89 Ca -0.04 -1.37 -0.01 0.00 -0.60 0.00 0.00 56.93 54.90 1u1f s PHE 89 Cb -0.15 -1.79 0.04 0.00 0.51 0.00 0.00 43.02 41.62 1u1f s PHE 89 CO 0.02 -0.65 -0.05 -0.51 0.70 0.00 0.00 175.22 174.73 1u1f s LEU 90 N 0.97 3.38 -0.12 -0.37 1.43 -0.25 -1.15 118.68 122.57 1u1f s LEU 90 Ca -0.04 -1.04 -0.19 0.00 -1.03 0.00 0.00 54.13 51.83 1u1f s LEU 90 Cb -0.15 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1u1f s LEU 90 CO -0.05 -0.17 0.53 -0.60 0.23 0.00 0.00 176.35 176.29 1u1f s ARG 91 N 1.28 4.34 -0.16 1.70 3.52 -0.19 0.03 118.95 129.46 1u1f s ARG 91 Ca -0.02 0.53 0.00 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 29.76 1u1f s ARG 91 CO -0.04 0.10 -0.16 -1.50 -0.81 0.00 0.00 175.30 172.89 1u1f s ILE 92 N 0.78 2.51 0.29 4.11 -1.16 -1.20 -1.19 121.20 125.35 1u1f s ILE 92 Ca 0.28 -0.81 0.05 0.00 -0.51 0.00 0.00 60.65 59.66 1u1f s ILE 92 Cb -0.16 -2.06 -0.02 0.00 0.61 0.00 0.00 42.46 40.83 1u1f s ILE 92 CO 0.12 0.52 0.18 0.61 -2.81 0.00 0.00 174.94 173.55 1u1f n GLY 93 N 4.25 3.25 3.80 1.50 0.00 -0.41 -3.99 105.19 113.58 1u1f n GLY 93 Ca -0.19 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 43.66 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 4.32 0.07 2.61 -4.23 -1.26 -1.58 115.64 112.60 1u1f s THR 94 Ca 0.26 -1.44 -0.20 0.00 -1.18 0.00 0.00 61.69 59.13 1u1f s THR 94 Cb 0.01 -3.32 0.05 0.00 1.34 0.00 0.00 72.50 70.58 1u1f s THR 94 CO 0.18 -0.33 0.48 0.28 -0.54 0.00 0.00 174.62 174.70 1u1f s THR 95 N -2.11 0.04 -0.27 3.99 -1.32 -0.88 -4.82 115.64 110.27 1u1f s THR 95 Ca 0.32 -0.32 -0.07 0.00 -1.21 0.00 0.00 61.69 60.41 1u1f s THR 95 Cb -0.08 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.89 1u1f s THR 95 CO 0.24 -0.18 0.08 -0.83 -2.21 0.00 0.00 174.62 171.72 1u1f s GLY 96 N -2.18 1.78 0.39 6.08 0.00 -1.06 -2.34 107.32 109.98 1u1f s GLY 96 Ca -0.03 -1.24 -0.24 0.00 0.00 0.00 0.00 44.72 43.21 1u1f s GLY 96 CO -0.04 0.58 1.00 0.00 0.00 0.00 0.00 173.10 174.64 1u1f s ALA 97 N 1.59 3.11 0.00 3.20 0.00 0.32 -0.90 121.76 129.07 1u1f s ALA 97 Ca 0.05 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1u1f s ALA 97 Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1u1f s ALA 97 CO 0.04 -0.04 0.57 0.44 0.00 0.00 0.00 175.76 176.77 1u1f n ILE 98 N -0.02 0.14 -3.97 0.00 -5.35 -0.04 -0.52 119.36 109.60 1u1f n ILE 98 Ca 0.05 -0.57 -0.36 0.00 -0.27 0.00 0.00 62.75 61.60 1u1f n ILE 98 Cb 0.51 0.93 -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 -0.14 3.50 0.49 6.28 -1.52 -1.23 -4.77 119.66 122.28 1u1f s GLN 99 Ca 0.00 -0.22 0.20 0.00 -1.95 0.00 0.00 55.36 53.39 1u1f s GLN 99 Cb 0.00 -3.14 1.24 0.00 -0.22 0.00 0.00 33.01 30.89 1u1f s GLN 99 CO 0.00 0.65 2.06 -1.35 -0.25 0.00 0.00 175.29 176.39 1u1f h PRO 100 N 5.42 0.00 0.00 2.91 0.11 -1.96 -2.81 132.00 135.68 1u1f h PRO 100 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1u1f h PRO 100 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u1f h PRO 100 CO 0.61 0.13 -0.14 -2.39 -0.21 0.00 0.00 178.00 176.00 1u1f n HIS 101 N -4.11 0.27 -3.25 0.65 1.44 -1.26 -4.73 115.22 104.23 1u1f n HIS 101 Ca -0.02 0.08 -0.40 0.00 -2.01 0.00 0.00 57.72 55.37 1u1f n HIS 101 Cb 0.21 -0.58 -0.08 0.00 0.12 0.00 0.00 29.99 29.66 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 0.37 0.61 1.01 -1.06 -5.07 121.20 119.10 1u1f s ILE 102 Ca 0.12 0.86 0.03 0.00 0.00 0.00 0.00 60.65 61.66 1u1f s ILE 102 Cb 0.17 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 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 1.55 6.03 0.15 3.58 0.01 -1.26 -4.87 114.94 120.12 1u1f s ASN 103 Ca 0.21 0.15 -0.31 0.00 -0.71 0.00 0.00 52.86 52.20 1u1f s ASN 103 Cb -0.16 -1.59 -0.10 0.00 0.41 0.00 0.00 41.25 39.82 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 -2.32 2.71 0.00 1.60 1.01 -1.26 -2.39 120.40 119.74 1u1f s VAL 104 Ca 0.44 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1u1f s VAL 104 Cb -0.10 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1u1f s VAL 104 CO 0.34 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1u1f n GLY 105 N 3.80 2.13 3.77 4.51 0.00 0.40 -5.02 105.19 114.79 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 -1.57 5.33 -0.08 1.61 1.11 -1.01 -4.73 116.67 117.34 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 -1.48 -0.02 0.68 1.18 0.00 0.00 175.17 175.53 1u1f s VAL 107 N -2.19 4.16 -0.11 -1.27 -7.23 -0.38 -0.76 120.40 112.62 1u1f s VAL 107 Ca 0.68 -0.32 0.03 0.00 -1.81 0.00 0.00 61.98 60.57 1u1f s VAL 107 Cb -0.21 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 33.99 1u1f s VAL 107 CO 0.37 0.60 -0.22 -0.76 -0.31 0.00 0.00 175.10 174.77 1u1f s LEU 108 N -0.89 2.05 -0.20 1.32 1.43 0.36 -1.79 118.68 120.95 1u1f s LEU 108 Ca 0.13 -0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1u1f s LEU 108 Cb -0.11 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1u1f s LEU 108 CO 0.02 0.12 0.07 -0.69 0.23 0.00 0.00 176.35 176.11 1u1f s VAL 109 N 0.51 4.69 -0.26 -1.59 1.01 -0.62 -1.16 120.40 122.99 1u1f s VAL 109 Ca -0.15 -0.06 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 1u1f s VAL 109 Cb -0.17 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1u1f s VAL 109 CO 0.05 0.42 0.48 -0.89 0.00 0.00 0.00 175.10 175.17 1u1f s THR 110 N 0.70 5.10 0.04 3.92 2.01 -0.66 -2.26 115.64 124.49 1u1f s THR 110 Ca 0.03 0.80 -0.16 0.00 0.31 0.00 0.00 61.69 62.68 1u1f s THR 110 Cb -0.13 -3.79 -0.30 0.00 0.01 0.00 0.00 72.50 68.28 1u1f s THR 110 CO 0.02 0.11 1.07 0.71 -0.69 0.00 0.00 174.62 175.84 1u1f h THR 111 N 5.39 1.30 -2.74 -0.82 1.35 -1.63 -3.41 112.91 112.35 1u1f h THR 111 Ca -0.30 -2.49 0.05 0.00 -0.55 0.00 0.00 66.41 63.12 1u1f h THR 111 Cb 1.15 2.78 -0.11 0.00 -1.73 0.00 0.00 68.15 70.23 1u1f h THR 111 CO 0.70 0.75 0.32 0.00 -0.25 0.00 0.00 175.52 177.03 1u1f s ALA 112 N -2.89 -1.61 0.02 6.62 0.00 -1.26 -0.40 121.76 122.24 1u1f s ALA 112 Ca -0.10 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.42 1u1f s ALA 112 Cb 0.05 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 1u1f s ALA 112 CO 0.93 -0.81 -0.22 -1.12 0.00 0.00 0.00 175.76 174.53 1u1f s SER 113 N -2.72 2.67 -0.01 0.00 0.01 -0.16 -2.02 113.70 111.48 1u1f s SER 113 Ca 0.05 -0.50 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 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 1.35 -0.69 0.41 0.00 0.00 173.24 174.46 1u1f s VAL 114 N -0.71 3.82 -1.06 3.43 1.01 0.15 -4.33 120.40 122.71 1u1f s VAL 114 Ca 0.09 1.21 -0.17 0.00 0.00 0.00 0.00 61.98 63.10 1u1f s VAL 114 Cb -0.09 -3.78 0.14 0.00 0.00 0.00 0.00 36.38 32.65 1u1f s VAL 114 CO 0.01 0.00 1.30 -0.13 0.00 0.00 0.00 175.10 176.28 1u1f s ARG 115 N 2.26 3.81 -0.51 2.72 0.52 -1.26 -1.76 118.95 124.73 1u1f s ARG 115 Ca 0.62 -2.06 0.02 0.00 -0.52 0.00 0.00 55.73 53.79 1u1f s ARG 115 Cb -0.30 -5.03 0.57 0.00 0.52 0.00 0.00 34.95 30.71 1u1f s ARG 115 CO 0.26 -1.82 1.91 1.28 0.02 0.00 0.00 175.30 176.94 1u1f n LEU 116 N 6.43 6.84 -4.59 2.53 4.77 -0.59 -4.96 117.00 127.42 1u1f n LEU 116 Ca 0.31 -3.90 -0.27 0.00 -0.03 0.00 0.00 56.01 52.12 1u1f n LEU 116 Cb 0.47 -0.86 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1u1f n LEU 116 CO 0.57 1.25 -0.27 1.51 -1.33 0.00 0.00 177.39 179.12 1u1f s ASP 117 N -1.65 3.45 -0.20 -1.43 -4.77 -1.23 -1.53 116.67 109.31 1u1f s ASP 117 Ca 0.59 -1.43 0.09 0.00 -3.30 0.00 0.00 52.55 48.49 1u1f s ASP 117 Cb 0.48 -0.12 -0.18 0.00 -1.09 0.00 0.00 42.92 42.01 1u1f s ASP 117 CO 0.06 -0.58 -0.06 0.61 0.70 0.00 0.00 175.17 175.90 1u1f n GLY 118 N -0.94 -0.61 0.25 2.12 0.00 -1.26 -4.66 105.19 100.09 1u1f n GLY 118 Ca -0.06 -0.23 0.00 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 0.47 1.38 -0.67 4.61 0.00 -1.98 -2.60 119.26 120.47 1u1f h ALA 119 Ca -0.49 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.24 1u1f h ALA 119 Cb 1.94 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1u1f h ALA 119 CO -0.02 0.43 0.44 0.66 0.00 0.00 0.00 179.25 180.76 1u1f h SER 120 N 0.36 0.63 0.58 0.00 4.64 -1.86 -1.41 113.55 116.51 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 0.42 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 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 0.00 5.97 3.38 -1.57 -1.56 115.31 122.26 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 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1u1f h LEU 121 CO -0.09 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.85 1u1f n HIS 122 N -3.03 0.00 0.00 1.13 8.25 -0.53 -3.88 115.22 117.16 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 0.20 -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 -0.69 -5.08 117.46 114.19 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 -2.00 -1.18 0.87 4.37 0.00 -0.67 -5.00 121.76 118.14 1u1f s ALA 124 Ca 0.00 1.01 -0.10 0.00 0.00 0.00 0.00 51.96 52.87 1u1f s ALA 124 Cb 0.00 -0.34 0.12 0.00 0.00 0.00 0.00 23.12 22.90 1u1f s ALA 124 CO 0.00 -0.27 1.14 -1.25 0.00 0.00 0.00 175.76 175.38 1u1f s PRO 125 N -0.57 1.38 0.43 0.00 0.04 -1.26 -3.84 135.00 131.18 1u1f s PRO 125 Ca -0.07 1.47 0.17 0.00 0.04 0.00 0.00 61.00 62.61 1u1f s PRO 125 Cb -0.03 -1.78 1.08 0.00 0.04 0.00 0.00 34.50 33.82 1u1f s PRO 125 CO 0.04 -2.35 1.90 1.25 0.04 0.00 0.00 177.00 177.88 1u1f h LEU 126 N -1.60 0.37 -2.30 -3.56 5.85 -1.93 -1.22 115.31 110.92 1u1f h LEU 126 Ca -0.43 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1u1f h LEU 126 Cb 1.26 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1u1f h LEU 126 CO 0.44 0.18 -0.04 1.05 -0.34 0.00 0.00 178.44 179.73 1u1f h GLU 127 N 0.39 0.00 -6.58 1.25 9.09 -2.03 -3.42 114.58 113.28 1u1f h GLU 127 Ca 0.40 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.28 1u1f h GLU 127 Cb 0.98 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.10 1u1f h GLU 127 CO -0.13 0.04 0.67 0.12 0.05 0.00 0.00 179.01 179.76 1u1f s PHE 128 N -4.23 3.29 0.12 2.06 2.19 -0.46 -4.99 117.98 115.96 1u1f s PHE 128 Ca -0.04 1.11 -0.30 0.00 0.33 0.00 0.00 56.93 58.03 1u1f s PHE 128 Cb 0.13 -3.60 -0.07 0.00 -1.31 0.00 0.00 43.02 38.17 1u1f s PHE 128 CO 0.52 -1.99 1.17 -1.25 1.83 0.00 0.00 175.22 175.50 1u1f s PRO 129 N 0.67 4.49 -1.49 10.12 0.04 -1.26 -4.94 135.00 142.63 1u1f s PRO 129 Ca 0.61 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 63.29 1u1f s PRO 129 Cb -0.35 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 30.90 1u1f s PRO 129 CO 0.33 -0.12 2.37 0.00 0.04 0.00 0.00 177.00 179.62 1u1f n ALA 130 N 3.18 5.97 -2.78 8.56 0.00 -1.26 -4.75 120.51 129.43 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 -3.49 -0.06 0.00 0.00 0.00 0.00 19.45 16.36 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 2.90 5.38 0.56 0.00 0.11 -1.26 -0.99 120.40 127.11 1u1f s VAL 131 Ca 0.52 0.37 -0.15 0.00 -2.93 0.00 0.00 61.98 59.78 1u1f s VAL 131 Cb 0.15 -3.48 -0.06 0.00 -1.53 0.00 0.00 36.38 31.46 1u1f s VAL 131 CO -0.08 0.61 1.02 0.00 -3.33 0.00 0.00 175.10 173.31 1u1f s ALA 132 N -1.05 2.95 0.25 1.54 0.00 0.46 -4.70 121.76 121.22 1u1f s ALA 132 Ca 0.17 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 1u1f s ALA 132 Cb -0.13 -3.15 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 1u1f s ALA 132 CO 0.07 -0.50 1.42 0.34 0.00 0.00 0.00 175.76 177.08 1u1f s ASP 133 N -3.12 6.67 0.21 0.00 2.15 0.43 -4.93 116.67 118.08 1u1f s ASP 133 Ca 0.60 2.65 -0.09 0.00 0.43 0.00 0.00 52.55 56.15 1u1f s ASP 133 Cb -0.12 -2.62 0.16 0.00 -0.30 0.00 0.00 42.92 40.03 1u1f s ASP 133 CO 0.36 -0.68 1.81 0.15 -0.17 0.00 0.00 175.17 176.64 1u1f h PHE 134 N 4.92 1.11 -0.49 -5.34 3.04 -1.95 -0.76 116.94 117.46 1u1f h PHE 134 Ca -0.46 -0.04 -0.12 0.00 3.98 0.00 0.00 57.97 61.32 1u1f h PHE 134 Cb 1.22 -0.35 -0.02 0.00 2.56 0.00 0.00 35.95 39.37 1u1f h PHE 134 CO 0.60 0.80 -0.16 0.93 -2.02 0.00 0.00 178.31 178.45 1u1f h GLU 135 N 1.09 0.96 -0.39 1.11 5.08 -1.95 -0.82 114.58 119.66 1u1f h GLU 135 Ca 0.27 -0.38 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 1u1f h GLU 135 Cb 0.09 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1u1f h GLU 135 CO -0.04 1.05 -0.06 0.00 -1.00 0.00 0.00 179.01 178.96 1u1f h THR 137 N 0.55 1.23 -0.16 0.00 2.02 -1.10 -1.73 112.91 113.72 1u1f h THR 137 Ca 0.10 -0.78 0.02 0.00 0.77 0.00 0.00 66.41 66.52 1u1f h THR 137 Cb 0.57 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1u1f h THR 137 CO 0.03 0.29 0.03 0.74 0.37 0.00 0.00 175.52 176.99 1u1f h THR 138 N 0.75 0.93 -0.61 3.16 2.02 -1.06 -1.25 112.91 116.84 1u1f h THR 138 Ca 0.17 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 1u1f h THR 138 Cb 0.27 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1u1f h THR 138 CO -0.01 0.02 0.27 0.00 0.37 0.00 0.00 175.52 176.18 1u1f h ALA 139 N 1.12 1.33 -0.27 6.16 0.00 -1.10 -0.90 119.26 125.59 1u1f h ALA 139 Ca 0.07 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1u1f h ALA 139 Cb 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1u1f h ALA 139 CO -0.10 0.51 -0.41 -0.07 0.00 0.00 0.00 179.25 179.19 1u1f h LEU 140 N 0.87 0.83 -0.37 0.00 3.38 -1.07 -0.11 115.31 118.83 1u1f h LEU 140 Ca 0.21 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1u1f h LEU 140 Cb 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1u1f h LEU 140 CO -0.02 1.18 0.13 0.58 0.09 0.00 0.00 178.44 180.39 1u1f h VAL 141 N 0.50 1.20 -0.47 1.22 2.07 -1.02 -1.04 116.25 118.71 1u1f h VAL 141 Ca 0.03 -0.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.79 1u1f h VAL 141 Cb 1.00 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1u1f h VAL 141 CO 0.09 0.23 -0.09 -0.33 0.02 0.00 0.00 177.57 177.49 1u1f h GLU 142 N 0.45 0.85 -0.47 1.57 5.08 -1.17 -1.65 114.58 119.25 1u1f h GLU 142 Ca 0.12 -0.28 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1u1f h GLU 142 Cb 0.23 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1u1f h GLU 142 CO -0.01 0.91 -0.09 0.00 -1.00 0.00 0.00 179.01 178.83 1u1f h ALA 143 N 1.12 0.97 -0.53 3.43 0.00 -0.89 0.04 119.26 123.40 1u1f h ALA 143 Ca 0.13 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1u1f h ALA 143 Cb 0.59 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1u1f h ALA 143 CO 0.04 0.61 -0.10 0.00 0.00 0.00 0.00 179.25 179.80 1u1f h ALA 144 N 1.14 0.82 0.00 0.00 0.00 -0.99 -2.73 119.26 117.49 1u1f h ALA 144 Ca 0.13 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1u1f h ALA 144 Cb 0.58 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1u1f h ALA 144 CO 0.04 0.66 -0.50 -0.22 0.00 0.00 0.00 179.25 179.23 1u1f h LYS 145 N 0.88 0.00 -0.44 0.00 3.64 -1.11 -1.61 116.57 117.92 1u1f h LYS 145 Ca 0.14 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1u1f h LYS 145 Cb 0.65 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1u1f h LYS 145 CO 0.05 0.50 0.03 1.03 -2.27 0.00 0.00 179.45 178.78 1u1f h SER 146 N 0.00 0.74 0.47 4.20 0.87 -0.72 -3.04 113.55 116.07 1u1f h SER 146 Ca -0.00 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1u1f h SER 146 Cb 0.91 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1u1f h SER 146 CO 0.06 0.85 -0.48 2.30 -0.53 0.00 0.00 176.83 179.03 1u1f n ILE 147 N -4.42 0.00 -2.17 2.23 -5.35 -1.05 -4.99 119.36 103.60 1u1f n ILE 147 Ca 0.00 -0.01 -0.02 0.00 -0.27 0.00 0.00 62.75 62.45 1u1f n ILE 147 Cb 0.28 0.27 0.01 0.00 -1.74 0.00 0.00 39.64 38.46 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 1.49 0.35 3.94 3.28 0.00 -0.68 -5.07 105.19 108.50 1u1f n GLY 148 Ca 0.06 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 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 3.97 -0.45 4.61 0.00 -0.80 -5.04 121.76 121.00 1u1f s ALA 149 Ca 0.00 -1.04 -0.28 0.00 0.00 0.00 0.00 51.96 50.64 1u1f s ALA 149 Cb -0.00 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.35 1u1f s ALA 149 CO 0.10 0.53 1.48 0.99 0.00 0.00 0.00 175.76 178.86 1u1f s THR 150 N -1.75 3.80 -0.04 0.00 2.01 -1.26 -4.78 115.64 113.62 1u1f s THR 150 Ca 0.34 0.77 0.05 0.00 0.31 0.00 0.00 61.69 63.17 1u1f s THR 150 Cb -0.11 -4.18 -0.02 0.00 0.01 0.00 0.00 72.50 68.20 1u1f s THR 150 CO 0.28 -0.82 -0.18 -0.89 -0.69 0.00 0.00 174.62 172.32 1u1f s THR 151 N 5.94 2.70 -0.06 -0.82 2.01 -1.26 -1.25 115.64 122.90 1u1f s THR 151 Ca 0.62 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.80 1u1f s THR 151 Cb -0.14 -2.02 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 1u1f s THR 151 CO 0.30 0.59 -0.18 -1.00 -0.69 0.00 0.00 174.62 173.64 1u1f s HIS 152 N -0.65 1.88 -0.12 4.92 3.76 -0.74 -4.99 115.29 119.35 1u1f s HIS 152 Ca 0.10 -0.61 -0.00 0.00 -0.15 0.00 0.00 55.06 54.40 1u1f s HIS 152 Cb -0.11 -1.28 -0.02 0.00 1.11 0.00 0.00 32.58 32.29 1u1f s HIS 152 CO 0.00 -0.23 -0.13 0.08 -0.85 0.00 0.00 174.74 173.62 1u1f s VAL 153 N 0.17 3.10 -3.20 -0.90 1.01 -1.26 -1.59 120.40 117.73 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 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1u1f n GLY 154 N 3.42 -0.57 3.82 4.51 0.00 -0.96 -4.99 105.19 110.43 1u1f n GLY 154 Ca -0.18 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.01 1.61 1.01 -1.26 -1.57 120.40 121.45 1u1f s VAL 155 Ca 0.00 1.08 0.07 0.00 0.00 0.00 0.00 61.98 63.12 1u1f s VAL 155 Cb 0.00 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1u1f s VAL 155 CO 0.00 0.49 -0.22 -0.89 0.00 0.00 0.00 175.10 174.48 1u1f s THR 156 N -1.18 2.42 -0.31 3.92 2.01 -0.85 -0.85 115.64 120.80 1u1f s THR 156 Ca 0.30 -1.05 -0.19 0.00 0.31 0.00 0.00 61.69 61.06 1u1f s THR 156 Cb -0.18 -1.91 -0.01 0.00 0.01 0.00 0.00 72.50 70.41 1u1f s THR 156 CO 0.18 0.53 0.59 0.00 -0.69 0.00 0.00 174.62 175.23 1u1f s ALA 157 N -0.70 3.53 -0.36 7.40 0.00 0.06 0.29 121.76 131.97 1u1f s ALA 157 Ca 0.11 -0.72 -0.08 0.00 0.00 0.00 0.00 51.96 51.27 1u1f s ALA 157 Cb -0.10 -3.05 0.04 0.00 0.00 0.00 0.00 23.12 20.01 1u1f s ALA 157 CO 0.00 -1.05 0.16 0.45 0.00 0.00 0.00 175.76 175.32 1u1f s SER 158 N 1.66 5.50 -0.02 0.00 0.15 -0.72 -1.80 113.70 118.47 1u1f s SER 158 Ca 0.23 -1.13 0.01 0.00 0.70 0.00 0.00 55.95 55.75 1u1f s SER 158 Cb -0.15 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.19 1u1f s SER 158 CO 0.12 -0.37 0.01 -0.55 1.20 0.00 0.00 173.24 173.65 1u1f s SER 159 N 1.53 5.21 0.04 5.45 0.15 0.40 -1.55 113.70 124.94 1u1f s SER 159 Ca 0.00 0.04 0.23 0.00 0.70 0.00 0.00 55.95 56.92 1u1f s SER 159 Cb -0.20 -1.40 0.97 0.00 -1.71 0.00 0.00 66.02 63.68 1u1f s SER 159 CO 0.04 0.30 1.74 0.47 1.20 0.00 0.00 173.24 176.99 1u1f n ASP 160 N 1.50 0.14 -4.27 5.45 9.92 -0.58 -4.34 116.55 124.38 1u1f n ASP 160 Ca -0.15 0.52 -0.18 0.00 -0.53 0.00 0.00 54.79 54.45 1u1f n ASP 160 Cb 0.53 -0.56 -0.11 0.00 -0.64 0.00 0.00 41.12 40.34 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 -3.04 1.42 0.04 -3.53 -4.23 -1.26 -5.01 115.64 100.03 1u1f s THR 161 Ca 0.11 -1.87 0.06 0.00 -1.18 0.00 0.00 61.69 58.80 1u1f s THR 161 Cb 0.14 -1.69 -0.24 0.00 1.34 0.00 0.00 72.50 72.05 1u1f s THR 161 CO 0.44 -0.49 0.97 0.15 -0.54 0.00 0.00 174.62 175.15 1u1f h PHE 162 N 3.22 0.13 0.00 3.99 3.57 -1.97 -3.39 116.94 122.49 1u1f h PHE 162 Ca -0.39 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.01 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 0.66 1.11 0.00 0.66 -2.23 0.00 0.00 178.31 178.51 1u1f n TYR 163 N -3.29 0.00 -0.12 0.41 4.02 -1.26 -4.33 117.16 112.59 1u1f n TYR 163 Ca -0.10 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.74 1u1f n TYR 163 Cb 1.00 -0.01 0.14 0.00 -0.02 0.00 0.00 39.34 40.46 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 0.83 0.00 -0.72 0.13 -1.87 0.13 132.00 130.49 1u1f h PRO 164 Ca 0.00 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1u1f h PRO 164 Cb 0.00 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.04 1u1f h PRO 164 CO 0.00 0.83 0.00 0.78 -0.23 0.00 0.00 178.00 179.38 1u1f h GLY 165 N 0.98 0.00 -1.93 1.56 0.00 -1.87 -1.54 103.07 100.27 1u1f h GLY 165 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1u1f h GLY 165 CO 0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.50 1u1f n GLN 166 N -2.73 3.26 -3.98 4.80 6.02 -0.89 -4.93 117.38 118.93 1u1f n GLN 166 Ca 0.01 -2.85 -0.31 0.00 -0.01 0.00 0.00 57.00 53.85 1u1f n GLN 166 Cb 0.27 -1.88 -0.01 0.00 1.02 0.00 0.00 30.24 29.64 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 -0.22 -2.00 -3.41 -1.09 2.13 -0.58 -4.94 120.64 110.53 1u1f n GLU 167 Ca 0.22 0.31 -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 -6.70 4.27 -0.01 5.31 0.52 0.40 -4.97 118.95 117.76 1u1f s ARG 168 Ca 0.18 0.26 0.17 0.00 -0.52 0.00 0.00 55.73 55.82 1u1f s ARG 168 Cb -0.08 -3.46 -0.22 0.00 0.52 0.00 0.00 34.95 31.72 1u1f s ARG 168 CO 0.91 0.13 0.62 0.66 0.02 0.00 0.00 175.30 177.65 1u1f n TYR 169 N 3.86 0.00 -1.61 -0.53 4.02 -1.26 -4.40 117.16 117.24 1u1f n TYR 169 Ca -0.09 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.39 1u1f n TYR 169 Cb 0.52 -0.13 -0.01 0.00 -0.02 0.00 0.00 39.34 39.70 1u1f n TYR 169 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1u1f n ASP 170 N -1.63 4.57 -3.92 7.72 3.85 -1.26 -4.20 116.55 121.68 1u1f n ASP 170 Ca 0.01 -2.78 -0.24 0.00 -0.71 0.00 0.00 54.79 51.07 1u1f n ASP 170 Cb 0.33 -1.60 -0.08 0.00 -1.35 0.00 0.00 41.12 38.42 1u1f n ASP 170 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1u1f s THR 171 N 3.16 0.42 0.09 2.12 -4.23 -1.26 -5.02 115.64 110.93 1u1f s THR 171 Ca 0.51 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.78 1u1f s THR 171 Cb 0.15 -2.36 -0.14 0.00 1.34 0.00 0.00 72.50 71.49 1u1f s THR 171 CO -0.07 0.00 1.72 0.22 -0.54 0.00 0.00 174.62 175.95 1u1f h TYR 172 N 1.85 -0.11 0.03 3.99 5.03 -1.99 -3.13 116.97 122.65 1u1f h TYR 172 Ca -0.32 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 60.77 1u1f h TYR 172 Cb 1.26 0.04 -0.01 0.00 1.55 0.00 0.00 36.73 39.57 1u1f h TYR 172 CO 1.61 -0.07 -0.97 0.66 -1.32 0.00 0.00 178.16 178.07 1u1f h SER 173 N -0.10 0.24 -0.26 -2.11 4.64 -1.97 -3.47 113.55 110.51 1u1f h SER 173 Ca 0.00 -0.21 -0.11 0.00 -0.47 0.00 0.00 61.79 61.00 1u1f h SER 173 Cb 0.09 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 1u1f h SER 173 CO -0.01 1.07 -0.10 0.61 -0.87 0.00 0.00 176.83 177.53 1u1f n GLY 174 N 1.08 0.78 3.18 -0.77 0.00 -1.18 -5.01 105.19 103.26 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 -2.09 0.86 -0.06 1.61 1.70 -1.26 -4.92 118.95 114.79 1u1f s ARG 175 Ca 0.00 -1.30 0.03 0.00 -0.47 0.00 0.00 55.73 54.00 1u1f s ARG 175 Cb 0.00 -0.34 0.01 0.00 -0.57 0.00 0.00 34.95 34.04 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 -3.25 1.37 0.47 4.99 1.01 -1.26 -4.93 120.40 118.80 1u1f s VAL 176 Ca 0.10 -0.64 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 1u1f s VAL 176 Cb 0.03 -1.21 -0.09 0.00 0.00 0.00 0.00 36.38 35.11 1u1f s VAL 176 CO -0.03 0.40 1.01 0.55 0.00 0.00 0.00 175.10 177.04 1u1f n VAL 177 N 3.54 2.76 -0.31 2.92 3.14 -1.26 -4.60 118.33 124.51 1u1f n VAL 177 Ca -0.21 -0.50 0.10 0.00 -2.96 0.00 0.00 64.34 60.78 1u1f n VAL 177 Cb 0.52 -1.19 0.23 0.00 -1.06 0.00 0.00 33.84 32.34 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 1.30 0.05 -0.85 1.45 2.43 -2.00 -0.07 114.38 116.69 1u1f h ARG 178 Ca -0.46 -0.00 0.17 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 30.82 1u1f h ARG 178 CO 0.55 0.03 0.56 1.25 -1.51 0.00 0.00 179.97 180.85 1u1f h HIS 179 N 0.05 0.60 -0.02 2.20 2.76 -2.02 -2.11 115.15 116.61 1u1f h HIS 179 Ca 0.52 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.71 1u1f h HIS 179 Cb 0.99 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.76 1u1f h HIS 179 CO -0.50 0.20 -0.11 1.19 -1.30 0.00 0.00 177.93 177.41 1u1f n PHE 180 N -4.52 0.00 -2.05 5.26 3.01 -0.09 -4.79 117.46 114.28 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 0.58 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.03 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 -1.76 4.20 -0.08 -1.08 -0.14 -0.79 -2.19 119.74 117.91 1u1f s LYS 181 Ca 0.21 2.15 0.00 0.00 -1.36 0.00 0.00 55.97 56.96 1u1f s LYS 181 Cb 0.16 -3.86 0.00 0.00 -1.68 0.00 0.00 37.83 32.44 1u1f s LYS 181 CO 0.30 -0.79 0.00 0.41 -0.76 0.00 0.00 175.35 174.52 1u1f n GLY 182 N 4.02 0.44 0.21 -3.33 0.00 -1.26 -4.93 105.19 100.33 1u1f n GLY 182 Ca 0.16 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.37 1.61 4.64 -1.75 -2.97 113.55 115.39 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 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1u1f h SER 183 CO 0.02 1.14 0.23 -0.03 -0.87 0.00 0.00 176.83 177.32 1u1f h MET 184 N 0.43 0.46 -0.77 4.77 -1.53 -1.92 -0.78 114.93 115.59 1u1f h MET 184 Ca -0.01 -0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.23 1u1f h MET 184 Cb 1.21 -0.10 -0.04 0.00 -0.55 0.00 0.00 31.60 32.12 1u1f h MET 184 CO 0.12 0.30 0.51 1.49 0.14 0.00 0.00 176.91 179.47 1u1f h GLU 185 N 0.47 1.00 -0.22 0.39 4.81 -1.97 -0.19 114.58 118.87 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 -0.03 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1u1f h GLU 185 CO -0.05 0.66 0.04 1.49 -0.73 0.00 0.00 179.01 180.42 1u1f h GLU 186 N 1.03 0.36 -0.68 1.92 4.57 -1.25 -1.89 114.58 118.64 1u1f h GLU 186 Ca 0.29 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 1u1f h GLU 186 Cb -0.10 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 1u1f h GLU 186 CO -0.06 0.51 0.30 -1.49 -1.18 0.00 0.00 179.01 177.08 1u1f h TRP 187 N 0.17 1.01 -0.44 0.92 -0.00 -0.83 -2.38 115.95 114.40 1u1f h TRP 187 Ca 0.07 -0.06 0.04 0.00 -0.00 0.00 0.00 58.89 58.94 1u1f h TRP 187 Cb 0.32 -0.31 -0.04 0.00 -0.00 0.00 0.00 29.16 29.13 1u1f h TRP 187 CO 0.02 0.77 0.20 1.96 -0.00 0.00 0.00 178.44 181.39 1u1f h GLN 188 N 0.96 0.40 0.00 0.49 4.20 -0.94 -1.24 115.11 118.97 1u1f h GLN 188 Ca 0.23 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 1u1f h GLN 188 Cb 0.17 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1u1f h GLN 188 CO -0.02 0.26 -0.19 0.00 -0.67 0.00 0.00 178.83 178.20 1u1f h ALA 189 N 1.25 1.33 -0.07 3.87 0.00 -1.20 -2.25 119.26 122.19 1u1f h ALA 189 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1u1f h ALA 189 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1u1f h ALA 189 CO -0.16 0.24 0.00 -1.33 0.00 0.00 0.00 179.25 178.01 1u1f n MET 190 N -3.80 1.45 -0.97 0.00 2.81 -0.66 -4.92 117.12 111.04 1u1f n MET 190 Ca -0.02 -0.67 0.00 0.00 -1.81 0.00 0.00 57.70 55.21 1u1f n MET 190 Cb 0.30 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 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 1.05 0.48 3.73 3.03 0.00 -0.85 -5.01 105.19 107.61 1u1f n GLY 191 Ca 0.17 -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 2.80 -0.02 1.61 1.01 -0.56 -4.59 120.40 118.65 1u1f s VAL 192 Ca 0.00 0.60 -0.20 0.00 0.00 0.00 0.00 61.98 62.38 1u1f s VAL 192 Cb 0.00 -3.38 -0.30 0.00 0.00 0.00 0.00 36.38 32.69 1u1f s VAL 192 CO 0.00 0.06 0.97 0.24 0.00 0.00 0.00 175.10 176.37 1u1f h MET 193 N 6.22 0.39 -2.97 2.72 0.00 -1.32 -3.42 114.93 116.56 1u1f h MET 193 Ca -0.44 -0.60 0.07 0.00 0.00 0.00 0.00 59.70 58.74 1u1f h MET 193 Cb 1.21 0.21 -0.06 0.00 0.00 0.00 0.00 31.60 32.96 1u1f h MET 193 CO 0.86 1.26 0.24 0.54 0.00 0.00 0.00 176.91 179.81 1u1f s ASN 194 N -7.07 -0.28 -0.13 1.22 4.22 -1.26 -0.86 114.94 110.78 1u1f s ASN 194 Ca -0.12 -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 0.86 -1.30 -0.10 -0.31 -2.04 0.00 0.00 177.10 174.21 1u1f s TYR 195 N -3.88 2.88 0.00 1.54 4.12 -0.08 -0.76 117.35 121.17 1u1f s TYR 195 Ca 0.10 -0.47 0.00 0.00 0.02 0.00 0.00 57.07 56.73 1u1f s TYR 195 Cb -0.05 -1.85 0.00 0.00 -1.52 0.00 0.00 41.96 38.53 1u1f s TYR 195 CO 0.05 -0.10 0.00 -0.85 0.02 0.00 0.00 175.55 174.68 1u1f n GLU 196 N 3.36 0.00 0.00 -0.62 -0.00 -0.74 -2.58 120.64 120.06 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 0.58 0.00 3.44 2.81 -1.26 -0.45 117.12 122.24 1u1f n MET 197 Ca 0.00 -0.65 0.00 0.00 -1.81 0.00 0.00 57.70 55.24 1u1f n MET 197 Cb 0.00 -0.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 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 -0.13 2.51 -0.35 0.03 4.71 -1.26 -3.64 120.64 122.51 1u1f n GLU 198 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1u1f n GLU 198 Cb 0.27 -0.73 0.09 0.00 -1.01 0.00 0.00 31.44 30.07 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 1.13 -0.48 1.62 4.64 -1.94 -2.02 113.55 116.50 1u1f h SER 199 Ca 0.00 -0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.27 1u1f h SER 199 Cb 0.24 -0.29 -0.04 0.00 -0.31 0.00 0.00 62.40 62.00 1u1f h SER 199 CO 0.00 0.88 0.26 0.00 -0.87 0.00 0.00 176.83 177.10 1u1f h ALA 200 N 1.30 0.61 0.27 5.18 0.00 -1.87 0.19 119.26 124.93 1u1f h ALA 200 Ca 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1u1f h ALA 200 Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1u1f h ALA 200 CO -0.06 -0.07 -0.13 1.15 0.00 0.00 0.00 179.25 180.14 1u1f h THR 201 N 0.52 0.78 0.06 0.00 2.02 -1.86 -2.02 112.91 112.41 1u1f h THR 201 Ca 0.20 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.93 1u1f h THR 201 Cb 0.08 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1u1f h THR 201 CO -0.12 0.10 -0.19 0.25 0.37 0.00 0.00 175.52 175.92 1u1f h LEU 202 N -0.61 -0.55 -0.58 2.58 5.85 -1.19 -0.88 115.31 119.94 1u1f h LEU 202 Ca -0.04 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1u1f h LEU 202 Cb 0.44 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1u1f h LEU 202 CO 0.06 -0.26 0.06 -0.07 -0.34 0.00 0.00 178.44 177.89 1u1f h LEU 203 N -0.34 0.94 0.00 2.25 3.38 -0.70 -1.92 115.31 118.92 1u1f h LEU 203 Ca 0.04 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1u1f h LEU 203 Cb 0.39 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1u1f h LEU 203 CO -0.14 0.98 -0.00 0.74 0.09 0.00 0.00 178.44 180.11 1u1f h THR 204 N 0.87 1.20 0.00 0.22 2.02 -1.27 -1.44 112.91 114.51 1u1f h THR 204 Ca 0.17 -0.60 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 1u1f h THR 204 Cb 0.46 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1u1f h THR 204 CO 0.02 0.16 -0.28 0.00 0.37 0.00 0.00 175.52 175.78 1u1f h MET 205 N -0.26 0.00 0.09 6.66 -0.00 -1.12 -2.11 114.93 118.19 1u1f h MET 205 Ca -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.58 1u1f h MET 205 Cb 0.26 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.87 1u1f h MET 205 CO 0.00 0.28 -0.55 0.00 -0.00 0.00 0.00 176.91 176.64 1u1f h ALA 207 N 0.03 1.18 -0.28 0.00 0.00 -1.20 0.23 119.26 119.22 1u1f h ALA 207 Ca -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1u1f h ALA 207 Cb 1.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1u1f h ALA 207 CO 0.09 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.35 1u1f n SER 208 N -3.48 3.01 -0.13 0.00 3.41 -0.80 -4.30 113.62 111.33 1u1f n SER 208 Ca -0.01 -1.93 0.01 0.00 -0.26 0.00 0.00 58.87 56.68 1u1f n SER 208 Cb 0.26 -0.18 0.02 0.00 -0.26 0.00 0.00 64.21 64.05 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 1.23 0.86 -1.64 4.33 6.02 -0.88 -5.01 117.38 122.28 1u1f n GLN 209 Ca 0.18 -1.14 -0.08 0.00 -0.01 0.00 0.00 57.00 55.95 1u1f n GLN 209 Cb 0.55 -0.75 -0.02 0.00 1.02 0.00 0.00 30.24 31.03 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 0.59 3.68 1.08 0.00 -0.98 -5.03 105.19 104.21 1u1f n GLY 210 Ca 0.02 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.12 3.49 -0.06 0.99 1.43 0.02 -5.05 118.68 117.38 1u1f s LEU 211 Ca 0.00 -0.00 -0.21 0.00 -1.03 0.00 0.00 54.13 52.88 1u1f s LEU 211 Cb 0.00 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1u1f s LEU 211 CO 0.00 0.29 0.61 -0.13 0.23 0.00 0.00 176.35 177.35 1u1f s ARG 212 N -1.48 4.38 -0.00 1.70 0.52 -0.19 -3.83 118.95 120.04 1u1f s ARG 212 Ca 0.19 0.72 0.01 0.00 -0.52 0.00 0.00 55.73 56.13 1u1f s ARG 212 Cb -0.11 -3.42 -0.00 0.00 0.52 0.00 0.00 34.95 31.94 1u1f s ARG 212 CO 0.09 0.17 -0.04 0.00 0.02 0.00 0.00 175.30 175.54 1u1f s ALA 213 N 0.48 0.37 0.13 2.13 0.00 -1.26 -0.40 121.76 123.20 1u1f s ALA 213 Ca 0.32 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.13 1u1f s ALA 213 Cb -0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1u1f s ALA 213 CO 0.16 0.08 -0.13 0.20 0.00 0.00 0.00 175.76 176.07 1u1f s GLY 214 N -0.18 1.06 -0.04 0.00 0.00 -0.30 -0.43 107.32 107.44 1u1f s GLY 214 Ca 0.01 -1.32 -0.01 0.00 0.00 0.00 0.00 44.72 43.40 1u1f s GLY 214 CO -0.00 -1.39 0.04 -0.29 0.00 0.00 0.00 173.10 171.47 1u1f s MET 215 N -2.86 0.01 0.02 2.90 1.75 -1.26 -1.03 119.30 118.84 1u1f s MET 215 Ca 0.10 0.30 0.02 0.00 -1.25 0.00 0.00 55.69 54.85 1u1f s MET 215 Cb -0.04 -0.49 -0.01 0.00 2.84 0.00 0.00 34.83 37.13 1u1f s MET 215 CO 0.02 -0.28 -0.06 0.54 -0.65 0.00 0.00 175.02 174.59 1u1f s VAL 216 N 1.85 0.44 -0.03 10.11 0.11 -0.33 -1.65 120.40 130.90 1u1f s VAL 216 Ca 0.01 -0.64 -0.10 0.00 -2.93 0.00 0.00 61.98 58.32 1u1f s VAL 216 Cb -0.12 -0.45 0.02 0.00 -1.53 0.00 0.00 36.38 34.29 1u1f s VAL 216 CO -0.03 -0.14 0.23 0.00 -3.33 0.00 0.00 175.10 171.82 1u1f s ALA 217 N -0.75 -0.56 -0.15 1.54 0.00 -0.31 -1.29 121.76 120.24 1u1f s ALA 217 Ca -0.04 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.04 1u1f s ALA 217 Cb -0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 1u1f s ALA 217 CO 0.00 -0.20 0.24 0.20 0.00 0.00 0.00 175.76 176.00 1u1f s GLY 218 N -0.97 2.18 -0.31 0.00 0.00 -0.62 -0.49 107.32 107.13 1u1f s GLY 218 Ca -0.10 -0.52 -0.29 0.00 0.00 0.00 0.00 44.72 43.81 1u1f s GLY 218 CO 0.02 0.23 1.16 0.14 0.00 0.00 0.00 173.10 174.66 1u1f s VAL 219 N 0.13 4.37 -0.48 1.40 1.01 0.06 -2.07 120.40 124.82 1u1f s VAL 219 Ca 0.15 1.57 0.10 0.00 0.00 0.00 0.00 61.98 63.80 1u1f s VAL 219 Cb -0.13 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.83 1u1f s VAL 219 CO 0.03 -0.47 0.44 2.30 0.00 0.00 0.00 175.10 177.40 1u1f n ILE 220 N 5.97 0.00 -3.70 2.22 -5.35 -0.99 -0.45 119.36 117.06 1u1f n ILE 220 Ca 0.13 -0.26 -0.14 0.00 -0.27 0.00 0.00 62.75 62.21 1u1f n ILE 220 Cb 0.47 0.98 -0.09 0.00 -1.74 0.00 0.00 39.64 39.26 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 -2.00 0.02 -0.18 7.28 1.01 -1.24 -4.55 120.40 120.76 1u1f s VAL 221 Ca 0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 1u1f s VAL 221 Cb 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1u1f s VAL 221 CO 0.43 -0.11 -0.15 0.21 0.00 0.00 0.00 175.10 175.48 1u1f s ASN 222 N -0.63 3.60 0.51 3.32 3.84 -1.26 -0.52 114.94 123.80 1u1f s ASN 222 Ca -0.07 -0.52 0.30 0.00 0.21 0.00 0.00 52.86 52.78 1u1f s ASN 222 Cb -0.03 -1.57 1.11 0.00 -0.55 0.00 0.00 41.25 40.21 1u1f s ASN 222 CO 0.04 0.04 1.89 0.03 -2.79 0.00 0.00 177.10 176.30 1u1f h ARG 223 N 7.67 0.00 0.00 0.43 2.47 -1.14 -2.61 114.38 121.19 1u1f h ARG 223 Ca -0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 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 0.06 0.00 1.79 0.56 0.00 0.00 179.97 182.98 1u1f h THR 224 N 0.00 0.00 0.00 2.04 1.35 -1.86 -3.51 112.91 110.93 1u1f h THR 224 Ca -0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1u1f h THR 224 Cb 0.64 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1u1f h THR 224 CO 0.01 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 1u1f n GLN 225 N -2.63 0.00 0.00 4.72 6.02 -0.99 -5.10 117.38 119.41 1u1f n GLN 225 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1u1f n GLN 225 Cb 0.45 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.71 1u1f n GLN 225 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1u1f n ASN 230 N 0.00 0.00 -0.12 1.08 5.15 -1.26 -5.06 115.26 115.05 1u1f n ASN 230 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 1u1f n ASN 230 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.24 1u1f n ASN 230 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u1f h ALA 231 N 0.00 0.48 -0.47 5.20 0.00 -1.98 -0.12 119.26 122.37 1u1f h ALA 231 Ca 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1u1f h ALA 231 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1u1f h ALA 231 CO 0.00 0.06 -0.05 1.49 0.00 0.00 0.00 179.25 180.75 1u1f h GLU 232 N 0.45 0.81 -0.02 0.00 4.81 -2.04 -2.41 114.58 116.19 1u1f h GLU 232 Ca 0.13 -0.25 -0.17 0.00 -0.13 0.00 0.00 59.36 58.94 1u1f h GLU 232 Cb 0.15 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1u1f h GLU 232 CO -0.01 0.85 -0.76 1.15 -0.73 0.00 0.00 179.01 179.51 1u1f h THR 233 N 0.75 1.47 -0.54 0.32 2.02 -1.97 -3.10 112.91 111.84 1u1f h THR 233 Ca 0.14 -2.39 -0.04 0.00 0.77 0.00 0.00 66.41 64.88 1u1f h THR 233 Cb 0.53 2.29 -0.03 0.00 -1.74 0.00 0.00 68.15 69.20 1u1f h THR 233 CO 0.03 0.70 0.18 0.24 0.37 0.00 0.00 175.52 177.03 1u1f h MET 234 N 0.10 0.80 -0.21 6.66 2.86 -0.68 -1.05 114.93 123.42 1u1f h MET 234 Ca -0.02 -0.14 -0.20 0.00 -2.06 0.00 0.00 59.70 57.27 1u1f h MET 234 Cb 1.33 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.86 1u1f h MET 234 CO 0.11 0.69 -0.66 0.87 1.06 0.00 0.00 176.91 178.99 1u1f h LYS 235 N 0.79 0.82 -0.25 1.72 1.57 -1.46 -2.10 116.57 117.66 1u1f h LYS 235 Ca 0.18 -0.60 -0.12 0.00 -1.87 0.00 0.00 60.65 58.24 1u1f h LYS 235 Cb 0.22 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1u1f h LYS 235 CO -0.01 1.22 -0.34 1.96 -0.57 0.00 0.00 179.45 181.71 1u1f h GLN 236 N 0.58 0.54 -0.22 3.15 4.20 -1.45 -2.30 115.11 119.62 1u1f h GLN 236 Ca -0.02 -0.25 -0.12 0.00 0.06 0.00 0.00 58.65 58.32 1u1f h GLN 236 Cb 1.28 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 1u1f h GLN 236 CO 0.14 0.81 -0.32 1.15 -0.67 0.00 0.00 178.83 179.95 1u1f h THR 237 N 0.46 1.32 -0.31 -0.54 2.02 -1.23 -2.46 112.91 112.17 1u1f h THR 237 Ca 0.05 -1.52 0.04 0.00 0.77 0.00 0.00 66.41 65.76 1u1f h THR 237 Cb 0.82 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.95 1u1f h THR 237 CO 0.07 0.47 0.07 -0.08 0.37 0.00 0.00 175.52 176.42 1u1f h GLU 238 N 0.30 0.17 -0.31 6.66 4.81 -1.31 -1.88 114.58 123.03 1u1f h GLU 238 Ca 0.02 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1u1f h GLU 238 Cb 0.90 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1u1f h GLU 238 CO 0.07 0.12 -0.03 0.77 -0.73 0.00 0.00 179.01 179.21 1u1f h SER 239 N 0.18 0.46 -0.18 1.04 0.02 -1.44 -0.84 113.55 112.79 1u1f h SER 239 Ca 0.14 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1u1f h SER 239 Cb 0.15 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1u1f h SER 239 CO -0.19 0.54 0.06 -0.74 -1.14 0.00 0.00 176.83 175.36 1u1f h HIS 240 N 0.46 0.28 -0.19 3.45 2.76 -1.00 -1.84 115.15 119.08 1u1f h HIS 240 Ca 0.10 -0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.10 1u1f h HIS 240 Cb 0.34 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 1u1f h HIS 240 CO 0.01 0.38 -0.46 0.00 -1.30 0.00 0.00 177.93 176.55 1u1f h ALA 241 N 0.88 0.85 -0.54 5.26 0.00 -1.14 -2.77 119.26 121.79 1u1f h ALA 241 Ca 0.06 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1u1f h ALA 241 Cb 0.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1u1f h ALA 241 CO -0.00 0.66 0.01 0.28 0.00 0.00 0.00 179.25 180.19 1u1f h VAL 242 N 0.39 1.26 -0.01 0.00 2.07 -1.14 -0.62 116.25 118.19 1u1f h VAL 242 Ca 0.02 -1.10 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 1u1f h VAL 242 Cb 0.96 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1u1f h VAL 242 CO 0.08 0.39 -0.18 0.11 0.02 0.00 0.00 177.57 178.00 1u1f h LYS 243 N 0.83 0.02 0.01 1.57 1.57 -1.26 -1.93 116.57 117.37 1u1f h LYS 243 Ca 0.15 -0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 1u1f h LYS 243 Cb 0.53 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.84 1u1f h LYS 243 CO 0.03 0.20 -0.46 0.82 -0.57 0.00 0.00 179.45 179.47 1u1f h ILE 244 N 0.02 1.49 0.00 1.86 2.04 -1.19 -2.72 117.51 119.02 1u1f h ILE 244 Ca 0.00 -2.07 -0.05 0.00 1.00 0.00 0.00 64.86 63.75 1u1f h ILE 244 Cb 0.33 2.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 1u1f h ILE 244 CO 0.02 0.58 -0.21 1.62 0.00 0.00 0.00 178.15 180.16 1u1f h VAL 245 N -0.31 1.13 0.09 1.67 3.04 -0.92 0.20 116.25 121.14 1u1f h VAL 245 Ca -0.06 -0.74 -0.27 0.00 -1.01 0.00 0.00 66.70 64.61 1u1f h VAL 245 Cb 1.20 1.40 0.03 0.00 -2.01 0.00 0.00 31.29 31.91 1u1f h VAL 245 CO 0.09 0.21 -1.13 0.58 -1.01 0.00 0.00 177.57 176.31 1u1f h VAL 246 N 0.00 1.30 -0.30 1.51 2.07 -1.46 -2.39 116.25 116.99 1u1f h VAL 246 Ca -0.00 -2.38 -0.05 0.00 0.82 0.00 0.00 66.70 65.09 1u1f h VAL 246 Cb 0.39 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1u1f h VAL 246 CO 0.03 0.72 -0.02 -0.08 0.02 0.00 0.00 177.57 178.24 1u1f h GLU 247 N 0.23 0.45 -0.12 1.57 4.57 -1.09 -2.11 114.58 118.09 1u1f h GLU 247 Ca -0.17 -0.09 -0.17 0.00 -1.18 0.00 0.00 59.36 57.75 1u1f h GLU 247 Cb 1.81 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 30.32 1u1f h GLU 247 CO 0.22 0.50 -0.64 0.00 -1.18 0.00 0.00 179.01 177.90 1u1f h ALA 248 N 1.55 0.67 -0.13 2.92 0.00 -0.67 -3.08 119.26 120.51 1u1f h ALA 248 Ca 0.09 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1u1f h ALA 248 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1u1f h ALA 248 CO 0.01 0.72 -0.12 0.00 0.00 0.00 0.00 179.25 179.86 1u1f h ALA 249 N 0.98 1.55 -0.89 0.00 0.00 -0.94 -2.60 119.26 117.37 1u1f h ALA 249 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1u1f h ALA 249 Cb 1.19 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1u1f h ALA 249 CO 0.11 0.33 0.48 0.00 0.00 0.00 0.00 179.25 180.17 1u1f h ARG 250 N 0.20 1.24 0.00 0.00 3.08 -1.31 -2.87 114.38 114.73 1u1f h ARG 250 Ca 0.04 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1u1f h ARG 250 Cb 0.35 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1u1f h ARG 250 CO 0.02 0.91 0.00 0.00 -1.07 0.00 0.00 179.97 179.83 1u1f h ARG 251 N 1.24 0.00 0.00 0.04 3.08 -1.49 -3.31 114.38 113.94 1u1f h ARG 251 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1u1f h ARG 251 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1u1f h ARG 251 CO -0.05 0.00 -1.43 1.28 -1.07 0.00 0.00 179.97 178.70 1u1f n LEU 252 N -2.96 0.52 0.00 3.04 4.77 -1.10 -5.08 117.00 116.20 1u1f n LEU 252 Ca 0.03 -0.23 0.12 0.00 -0.03 0.00 0.00 56.01 55.90 1u1f n LEU 252 Cb 0.43 -0.01 0.69 0.00 -2.33 0.00 0.00 43.42 42.20 1u1f n LEU 252 CO 0.30 0.12 0.88 0.18 -1.33 0.00 0.00 177.39 177.54