#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 0.63 -4.40 -3.46 8.00 0.10 -4.93 116.55 112.50 1u1f n ASP 5 Ca 0.00 -0.41 -0.20 0.00 0.71 0.00 0.00 54.79 54.89 1u1f n ASP 5 Cb 0.00 0.27 -0.10 0.00 -0.02 0.00 0.00 41.12 41.27 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 -2.91 1.50 0.17 2.53 -7.23 -1.24 -5.05 120.40 108.17 1u1f s VAL 6 Ca 0.13 -2.11 -0.04 0.00 -1.81 0.00 0.00 61.98 58.16 1u1f s VAL 6 Cb 0.18 -2.39 -0.09 0.00 0.56 0.00 0.00 36.38 34.64 1u1f s VAL 6 CO 0.68 -0.33 1.45 -0.26 -0.31 0.00 0.00 175.10 176.33 1u1f h PHE 7 N 2.35 0.70 0.00 2.82 0.04 -1.95 -3.40 116.94 117.49 1u1f h PHE 7 Ca -0.39 -0.28 -0.02 0.00 2.80 0.00 0.00 57.97 60.08 1u1f h PHE 7 Cb 1.23 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 39.26 1u1f h PHE 7 CO 0.66 1.04 -1.07 0.72 -0.60 0.00 0.00 178.31 179.05 1u1f n HIS 8 N -3.91 0.00 0.27 -0.55 8.25 -1.26 -4.79 115.22 113.23 1u1f n HIS 8 Ca -0.04 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.58 1u1f n HIS 8 Cb 0.66 -0.05 0.65 0.00 1.12 0.00 0.00 29.99 32.38 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 -1.50 2.41 3.38 -1.92 -3.44 115.31 114.23 1u1f h LEU 9 Ca -0.03 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 1u1f h LEU 9 Cb 1.04 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.90 1u1f h LEU 9 CO -0.01 0.04 -0.52 0.61 0.09 0.00 0.00 178.44 178.65 1u1f n GLY 10 N 0.03 -0.11 3.02 0.83 0.00 -1.26 -4.73 105.19 102.96 1u1f n GLY 10 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.16 2.18 0.29 0.99 1.43 -1.26 -4.78 118.68 112.36 1u1f s LEU 11 Ca 0.12 -0.41 0.07 0.00 -1.03 0.00 0.00 54.13 52.89 1u1f s LEU 11 Cb -0.05 -0.15 -0.03 0.00 0.03 0.00 0.00 46.19 45.98 1u1f s LEU 11 CO 0.51 -0.14 0.23 0.42 0.23 0.00 0.00 176.35 177.60 1u1f s THR 12 N -1.02 4.07 0.53 5.49 -4.23 -1.26 -0.72 115.64 118.50 1u1f s THR 12 Ca -0.07 -1.39 0.19 0.00 -1.18 0.00 0.00 61.69 59.23 1u1f s THR 12 Cb -0.08 -3.31 0.30 0.00 1.34 0.00 0.00 72.50 70.75 1u1f s THR 12 CO 0.00 -0.28 2.14 0.11 -0.54 0.00 0.00 174.62 176.05 1u1f h LYS 13 N 1.40 0.00 -0.30 3.99 1.57 -1.97 -2.04 116.57 119.22 1u1f h LYS 13 Ca -0.47 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.24 1u1f h LYS 13 Cb 1.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1u1f h LYS 13 CO 0.60 0.00 -0.13 -0.91 -0.57 0.00 0.00 179.45 178.44 1u1f h ASN 14 N 0.00 0.50 0.11 0.86 2.35 -1.95 -2.93 115.58 114.53 1u1f h ASN 14 Ca 0.03 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1u1f h ASN 14 Cb 0.13 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1u1f h ASN 14 CO -0.00 0.66 -0.10 0.44 -1.65 0.00 0.00 177.43 176.78 1u1f h ASP 15 N 0.48 0.00 1.61 5.81 3.32 -1.77 -2.75 116.42 123.12 1u1f h ASP 15 Ca 0.09 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1u1f h ASP 15 Cb 0.51 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1u1f h ASP 15 CO 0.03 0.10 -0.27 -0.07 -1.72 0.00 0.00 179.24 177.31 1u1f h LEU 16 N 0.00 0.00 2.76 1.55 3.38 -1.58 -3.48 115.31 117.93 1u1f h LEU 16 Ca -0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 1u1f h LEU 16 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1u1f h LEU 16 CO 0.01 0.27 -0.54 0.00 0.09 0.00 0.00 178.44 178.27 1u1f n GLN 17 N -3.19 -1.99 -0.60 1.13 6.02 -1.04 -2.44 117.38 115.27 1u1f n GLN 17 Ca 0.02 1.00 0.00 0.00 -0.01 0.00 0.00 57.00 58.01 1u1f n GLN 17 Cb 0.61 -5.67 0.00 0.00 1.02 0.00 0.00 30.24 26.20 1u1f n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1f n GLY 18 N -1.07 0.65 3.76 1.08 0.00 -1.26 -4.83 105.19 103.51 1u1f n GLY 18 Ca -0.23 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 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 3.49 -0.11 4.61 0.00 -1.02 -4.93 121.76 121.79 1u1f s ALA 19 Ca 0.00 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.10 1u1f s ALA 19 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1u1f s ALA 19 CO 0.00 -0.49 0.23 0.25 0.00 0.00 0.00 175.76 175.75 1u1f n THR 20 N 1.47 0.00 -5.08 0.00 -2.24 -1.26 -4.11 114.28 103.06 1u1f n THR 20 Ca 0.02 -0.48 -0.32 0.00 -2.27 0.00 0.00 64.05 61.00 1u1f n THR 20 Cb 0.43 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.52 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 -1.37 2.38 -0.04 3.22 0.20 -1.26 0.40 118.68 122.21 1u1f s LEU 21 Ca 0.01 -0.38 0.03 0.00 0.69 0.00 0.00 54.13 54.49 1u1f s LEU 21 Cb 0.01 -1.46 0.00 0.00 -0.43 0.00 0.00 46.19 44.31 1u1f s LEU 21 CO 0.04 0.28 -0.12 0.00 -0.29 0.00 0.00 176.35 176.26 1u1f s ALA 22 N -0.34 1.15 -0.20 5.97 0.00 -0.34 -2.08 121.76 125.91 1u1f s ALA 22 Ca 0.02 -0.47 -0.17 0.00 0.00 0.00 0.00 51.96 51.34 1u1f s ALA 22 Cb -0.12 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1u1f s ALA 22 CO 0.02 0.19 0.46 0.42 0.00 0.00 0.00 175.76 176.85 1u1f s ILE 23 N 0.18 5.15 -0.59 0.00 1.01 0.62 -0.91 121.20 126.66 1u1f s ILE 23 Ca -0.04 0.82 0.04 0.00 0.00 0.00 0.00 60.65 61.47 1u1f s ILE 23 Cb -0.10 -3.78 0.15 0.00 0.01 0.00 0.00 42.46 38.73 1u1f s ILE 23 CO 0.01 0.21 0.36 0.68 0.00 0.00 0.00 174.94 176.21 1u1f s VAL 24 N 1.48 2.66 0.82 2.92 -7.23 0.15 -1.50 120.40 119.71 1u1f s VAL 24 Ca 0.21 -3.70 -0.11 0.00 -1.81 0.00 0.00 61.98 56.57 1u1f s VAL 24 Cb -0.15 -2.81 0.08 0.00 0.56 0.00 0.00 36.38 34.06 1u1f s VAL 24 CO 0.09 -0.89 1.10 -2.16 -0.31 0.00 0.00 175.10 172.92 1u1f s PRO 25 N -0.77 1.91 0.03 4.82 0.04 -1.23 -3.69 135.00 136.13 1u1f s PRO 25 Ca 0.20 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 61.79 1u1f s PRO 25 Cb -0.17 -1.90 -0.33 0.00 0.04 0.00 0.00 34.50 32.14 1u1f s PRO 25 CO -0.07 -1.75 1.00 0.78 0.04 0.00 0.00 177.00 177.00 1u1f h GLY 26 N -1.18 0.52 -6.49 0.56 0.00 -1.84 -1.24 103.07 93.40 1u1f h GLY 26 Ca -0.47 -1.33 -0.61 0.00 0.00 0.00 0.00 47.33 44.92 1u1f h GLY 26 CO 0.58 1.16 0.05 -0.35 0.00 0.00 0.00 176.54 177.99 1u1f s ASP 27 N -7.43 6.53 0.45 0.19 2.15 -1.26 -1.47 116.67 115.82 1u1f s ASP 27 Ca -0.08 0.64 0.21 0.00 0.43 0.00 0.00 52.55 53.75 1u1f s ASP 27 Cb 0.05 -2.31 1.18 0.00 -0.30 0.00 0.00 42.92 41.55 1u1f s ASP 27 CO 0.92 -0.29 1.86 -0.65 -0.17 0.00 0.00 175.17 176.84 1u1f h PRO 28 N 7.80 0.30 0.00 4.34 0.11 -1.89 -1.54 132.00 141.12 1u1f h PRO 28 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1u1f h PRO 28 Cb 1.14 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1u1f h PRO 28 CO 0.74 0.20 0.00 -0.44 -0.21 0.00 0.00 178.00 178.29 1u1f h ASP 29 N 0.30 0.00 1.38 -2.05 3.45 -1.97 -3.04 116.42 114.49 1u1f h ASP 29 Ca 0.47 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.80 1u1f h ASP 29 Cb 1.32 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.07 1u1f h ASP 29 CO -0.14 0.00 -0.62 -0.09 -1.57 0.00 0.00 179.24 176.81 1u1f h ARG 30 N 0.00 0.00 -0.67 3.56 2.43 -1.69 -3.38 114.38 114.63 1u1f h ARG 30 Ca 0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 1u1f h ARG 30 Cb 0.59 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.06 1u1f h ARG 30 CO 0.00 0.58 0.27 0.28 -1.51 0.00 0.00 179.97 179.58 1u1f h VAL 31 N 0.00 0.74 -0.62 0.20 2.07 -1.57 -1.28 116.25 115.79 1u1f h VAL 31 Ca -0.01 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1u1f h VAL 31 Cb 1.46 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1u1f h VAL 31 CO 0.08 0.08 0.09 -0.08 0.02 0.00 0.00 177.57 177.75 1u1f h GLU 32 N 0.45 1.03 -0.62 1.57 4.81 -1.79 -2.33 114.58 117.70 1u1f h GLU 32 Ca 0.35 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1u1f h GLU 32 Cb 0.45 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1u1f h GLU 32 CO -0.33 0.97 0.19 0.87 -0.73 0.00 0.00 179.01 179.98 1u1f h LYS 33 N 0.94 0.95 -0.09 1.92 1.57 -1.48 -1.12 116.57 119.26 1u1f h LYS 33 Ca 0.19 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1u1f h LYS 33 Cb 0.45 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1u1f h LYS 33 CO 0.01 0.82 -0.14 0.82 -0.57 0.00 0.00 179.45 180.39 1u1f h ILE 34 N 0.91 1.39 -0.47 1.86 2.04 -1.28 -3.26 117.51 118.70 1u1f h ILE 34 Ca 0.20 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.65 1u1f h ILE 34 Cb 0.27 2.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1u1f h ILE 34 CO -0.01 0.39 0.21 0.00 0.00 0.00 0.00 178.15 178.74 1u1f h ALA 35 N 0.53 1.48 0.00 1.87 0.00 -1.30 -2.44 119.26 119.40 1u1f h ALA 35 Ca 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1u1f h ALA 35 Cb 0.70 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1u1f h ALA 35 CO 0.03 0.41 -0.01 0.00 0.00 0.00 0.00 179.25 179.68 1u1f h ALA 36 N 1.56 1.04 -0.00 0.00 0.00 -1.24 -0.08 119.26 120.54 1u1f h ALA 36 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1u1f h ALA 36 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1u1f h ALA 36 CO -0.02 0.01 -0.00 1.28 0.00 0.00 0.00 179.25 180.52 1u1f n LEU 37 N -3.16 0.01 -4.81 0.00 7.99 -0.92 -4.84 117.00 111.28 1u1f n LEU 37 Ca -0.02 0.40 -0.24 0.00 -0.01 0.00 0.00 56.01 56.15 1u1f n LEU 37 Cb 0.17 -0.41 -0.05 0.00 -0.11 0.00 0.00 43.42 43.02 1u1f n LEU 37 CO 0.24 0.00 -0.08 -0.04 -1.51 0.00 0.00 177.39 176.00 1u1f s MET 38 N -2.82 2.33 0.34 3.23 -1.94 -0.04 -5.12 119.30 115.28 1u1f s MET 38 Ca 0.20 -1.77 -0.24 0.00 -1.71 0.00 0.00 55.69 52.17 1u1f s MET 38 Cb 0.20 -2.12 -0.10 0.00 2.01 0.00 0.00 34.83 34.81 1u1f s MET 38 CO 0.50 -0.21 0.91 -0.51 -0.01 0.00 0.00 175.02 175.71 1u1f s ASP 39 N -4.03 7.20 -1.30 3.03 1.01 0.35 -4.38 116.67 118.56 1u1f s ASP 39 Ca 0.42 1.74 -0.16 0.00 0.71 0.00 0.00 52.55 55.26 1u1f s ASP 39 Cb 0.01 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.40 1u1f s ASP 39 CO 0.24 -0.13 0.53 0.29 0.21 0.00 0.00 175.17 176.31 1u1f n LYS 40 N 0.28 -1.38 -2.50 8.23 5.02 -1.26 0.66 118.16 127.20 1u1f n LYS 40 Ca 0.03 0.26 -0.39 0.00 -2.02 0.00 0.00 58.31 56.19 1u1f n LYS 40 Cb 0.51 -3.63 -0.04 0.00 -0.02 0.00 0.00 35.03 31.85 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 4.45 -0.10 1.97 0.04 -1.26 -4.25 135.00 129.02 1u1f s PRO 41 Ca 0.28 1.68 -0.07 0.00 0.04 0.00 0.00 61.00 62.94 1u1f s PRO 41 Cb -0.13 -2.93 0.04 0.00 0.04 0.00 0.00 34.50 31.52 1u1f s PRO 41 CO 0.93 0.07 0.26 0.54 0.04 0.00 0.00 177.00 178.84 1u1f s VAL 42 N -1.36 -0.02 0.12 -0.36 0.11 0.88 -4.99 120.40 114.78 1u1f s VAL 42 Ca 0.50 0.08 -0.31 0.00 -2.93 0.00 0.00 61.98 59.32 1u1f s VAL 42 Cb -0.28 -0.38 -0.08 0.00 -1.53 0.00 0.00 36.38 34.11 1u1f s VAL 42 CO 0.36 0.03 1.34 -0.75 -3.33 0.00 0.00 175.10 172.75 1u1f s LYS 43 N 0.78 4.35 -0.22 1.54 2.20 -1.26 -0.63 119.74 126.51 1u1f s LYS 43 Ca -0.05 2.02 -0.13 0.00 -0.36 0.00 0.00 55.97 57.45 1u1f s LYS 43 Cb -0.07 -3.25 -0.09 0.00 -1.51 0.00 0.00 37.83 32.91 1u1f s LYS 43 CO -0.05 -0.37 -0.30 1.28 -0.36 0.00 0.00 175.35 175.55 1u1f n LEU 44 N 3.71 1.69 -3.53 5.43 4.77 -0.05 -4.91 117.00 124.10 1u1f n LEU 44 Ca 0.10 0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 56.25 1u1f n LEU 44 Cb 0.43 -0.69 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1u1f n LEU 44 CO 0.58 0.31 0.29 0.00 -1.33 0.00 0.00 177.39 177.24 1u1f s ALA 45 N -2.50 -1.30 -0.24 -1.18 0.00 -1.09 -5.01 121.76 110.44 1u1f s ALA 45 Ca -0.31 0.32 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 1u1f s ALA 45 Cb 0.11 0.70 0.12 0.00 0.00 0.00 0.00 23.12 24.05 1u1f s ALA 45 CO 0.40 -0.66 0.29 0.45 0.00 0.00 0.00 175.76 176.24 1u1f s SER 46 N -2.59 1.08 -0.03 0.00 0.15 -1.26 -0.35 113.70 110.69 1u1f s SER 46 Ca 0.00 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1u1f s SER 46 Cb 0.00 0.66 0.03 0.00 -1.71 0.00 0.00 66.02 64.99 1u1f s SER 46 CO -0.10 -0.33 -0.00 -1.00 1.20 0.00 0.00 173.24 173.00 1u1f s HIS 47 N 2.41 0.33 0.00 3.44 3.76 -0.42 -5.00 115.29 119.81 1u1f s HIS 47 Ca 0.09 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 1u1f s HIS 47 Cb -0.15 -0.41 0.00 0.00 1.11 0.00 0.00 32.58 33.13 1u1f s HIS 47 CO -0.19 -0.13 0.00 0.54 -0.85 0.00 0.00 174.74 174.12 1u1f n ARG 48 N 4.07 0.00 -0.10 1.40 1.74 -1.26 -0.66 116.66 121.85 1u1f n ARG 48 Ca -0.26 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.88 1u1f n ARG 48 Cb 0.51 0.00 0.22 0.00 -1.02 0.00 0.00 32.46 32.17 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 1.53 -3.41 5.56 0.00 -1.26 -4.77 120.64 132.29 1u1f n GLU 49 Ca 0.00 -0.82 -0.44 0.00 0.00 0.00 0.00 57.16 55.90 1u1f n GLU 49 Cb 0.00 -1.25 -0.07 0.00 0.00 0.00 0.00 31.44 30.13 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 -1.74 3.32 -0.18 -1.84 0.40 0.17 -4.17 117.98 113.93 1u1f s PHE 50 Ca 0.21 -1.50 -0.05 0.00 -0.60 0.00 0.00 56.93 54.98 1u1f s PHE 50 Cb 0.11 -3.64 -0.03 0.00 0.51 0.00 0.00 43.02 39.97 1u1f s PHE 50 CO 0.16 -1.00 0.01 0.99 0.70 0.00 0.00 175.22 176.08 1u1f s THR 51 N 1.51 4.20 -0.09 0.64 2.01 -1.26 -1.30 115.64 121.34 1u1f s THR 51 Ca 0.04 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 61.84 1u1f s THR 51 Cb -0.28 -2.88 -0.00 0.00 0.01 0.00 0.00 72.50 69.35 1u1f s THR 51 CO 0.02 0.46 -0.23 -0.89 -0.69 0.00 0.00 174.62 173.28 1u1f s THR 52 N 0.61 2.14 0.08 -0.82 2.01 0.52 -1.90 115.64 118.28 1u1f s THR 52 Ca -0.00 -1.00 0.08 0.00 0.31 0.00 0.00 61.69 61.07 1u1f s THR 52 Cb -0.14 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.53 1u1f s THR 52 CO 0.02 0.56 -0.20 0.26 -0.69 0.00 0.00 174.62 174.57 1u1f s TRP 53 N 0.25 1.71 -0.05 4.92 0.52 0.41 -0.87 118.94 125.83 1u1f s TRP 53 Ca -0.16 -0.41 0.04 0.00 0.02 0.00 0.00 56.10 55.60 1u1f s TRP 53 Cb -0.17 -0.96 -0.02 0.00 -1.15 0.00 0.00 33.47 31.16 1u1f s TRP 53 CO 0.08 0.16 -0.16 0.50 0.02 0.00 0.00 176.95 177.54 1u1f s ARG 54 N -1.67 2.54 0.12 4.98 3.52 0.20 -0.39 118.95 128.25 1u1f s ARG 54 Ca 0.06 -0.73 -0.02 0.00 -0.13 0.00 0.00 55.73 54.90 1u1f s ARG 54 Cb -0.10 -2.35 -0.04 0.00 -1.56 0.00 0.00 34.95 30.91 1u1f s ARG 54 CO 0.03 0.57 0.07 0.00 -0.81 0.00 0.00 175.30 175.16 1u1f s ALA 55 N -0.59 0.66 -0.14 6.12 0.00 0.21 -0.08 121.76 127.94 1u1f s ALA 55 Ca 0.08 -1.33 -0.06 0.00 0.00 0.00 0.00 51.96 50.66 1u1f s ALA 55 Cb -0.11 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 1u1f s ALA 55 CO 0.01 -0.48 0.07 -1.21 0.00 0.00 0.00 175.76 174.14 1u1f s GLU 56 N -4.01 3.62 -0.14 0.00 2.02 0.21 0.66 118.70 121.06 1u1f s GLU 56 Ca 0.19 -0.30 -0.01 0.00 0.02 0.00 0.00 54.97 54.87 1u1f s GLU 56 Cb 0.07 -3.11 0.04 0.00 0.10 0.00 0.00 34.13 31.23 1u1f s GLU 56 CO -0.01 0.50 -0.02 -1.17 0.02 0.00 0.00 175.26 174.58 1u1f s LEU 57 N -0.28 1.16 -1.35 1.80 2.96 0.86 -0.49 118.68 123.35 1u1f s LEU 57 Ca 0.09 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.43 1u1f s LEU 57 Cb -0.12 -0.69 0.05 0.00 0.50 0.00 0.00 46.19 45.93 1u1f s LEU 57 CO 0.01 -0.21 0.51 0.47 -1.32 0.00 0.00 176.35 175.81 1u1f n ASP 58 N 5.00 -4.35 0.00 3.68 10.43 -1.26 -1.11 116.55 128.95 1u1f n ASP 58 Ca -0.10 -0.34 0.00 0.00 2.57 0.00 0.00 54.79 56.92 1u1f n ASP 58 Cb 0.48 -3.57 0.00 0.00 1.84 0.00 0.00 41.12 39.87 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 -1.26 1.39 3.61 0.44 0.00 -1.26 -5.05 105.19 103.07 1u1f n GLY 59 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.53 3.42 0.24 1.61 -0.14 -0.27 -5.05 119.74 119.02 1u1f s LYS 60 Ca 0.00 -0.43 -0.30 0.00 -1.36 0.00 0.00 55.97 53.88 1u1f s LYS 60 Cb 0.00 -2.92 -0.10 0.00 -1.68 0.00 0.00 37.83 33.13 1u1f s LYS 60 CO 0.00 0.47 1.43 -1.25 -0.76 0.00 0.00 175.35 175.23 1u1f s PRO 61 N -0.22 4.28 -0.02 -1.68 0.04 -1.26 -0.10 135.00 136.04 1u1f s PRO 61 Ca 0.05 2.28 0.02 0.00 0.04 0.00 0.00 61.00 63.39 1u1f s PRO 61 Cb -0.12 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1u1f s PRO 61 CO 0.02 -0.41 -0.07 0.08 0.04 0.00 0.00 177.00 176.66 1u1f s VAL 62 N 0.04 0.61 -0.10 -0.36 1.01 0.21 -4.52 120.40 117.29 1u1f s VAL 62 Ca 0.59 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 1u1f s VAL 62 Cb -0.41 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1u1f s VAL 62 CO 0.42 0.19 0.24 -0.63 0.00 0.00 0.00 175.10 175.33 1u1f s ILE 63 N 0.10 5.33 -0.16 2.22 -1.09 -0.88 -0.62 121.20 126.10 1u1f s ILE 63 Ca -0.01 0.45 0.01 0.00 -2.23 0.00 0.00 60.65 58.87 1u1f s ILE 63 Cb -0.06 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.29 1u1f s ILE 63 CO -0.00 0.56 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.39 1u1f s VAL 64 N -0.72 2.22 -0.08 2.92 1.01 0.48 -0.28 120.40 125.95 1u1f s VAL 64 Ca 0.17 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.21 1u1f s VAL 64 Cb -0.13 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.37 1u1f s VAL 64 CO 0.06 0.53 0.16 0.00 0.00 0.00 0.00 175.10 175.86 1u1f s SER 66 N 1.69 7.14 -0.06 0.00 1.04 -0.80 -3.53 113.70 119.18 1u1f s SER 66 Ca -0.04 2.02 0.20 0.00 0.48 0.00 0.00 55.95 58.60 1u1f s SER 66 Cb -0.12 -2.59 -0.30 0.00 0.10 0.00 0.00 66.02 63.11 1u1f s SER 66 CO -0.06 -0.22 0.37 0.35 0.98 0.00 0.00 173.24 174.65 1u1f n THR 67 N 0.55 0.27 0.00 2.02 -2.24 -0.47 -4.34 114.28 110.07 1u1f n THR 67 Ca 0.02 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1u1f n THR 67 Cb 0.48 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.45 -1.46 3.71 3.38 0.00 -0.54 -3.45 105.19 108.28 1u1f n GLY 68 Ca -0.09 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.49 4.17 0.00 -0.61 1.01 -1.26 -4.70 121.20 118.32 1u1f s ILE 69 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.23 1u1f s ILE 69 Cb 0.00 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1u1f s ILE 69 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 1u1f n GLY 70 N 3.08 1.84 0.17 6.18 0.00 -1.24 -4.69 105.19 110.53 1u1f n GLY 70 Ca 0.08 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 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 0.54 -0.20 -0.02 0.00 -1.87 -2.96 103.07 98.56 1u1f h GLY 71 Ca 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 47.33 47.16 1u1f h GLY 71 CO 0.00 0.25 -0.27 -2.55 0.00 0.00 0.00 176.54 173.97 1u1f h PRO 72 N 0.44 -0.16 0.00 4.80 0.11 -1.95 0.44 132.00 135.68 1u1f h PRO 72 Ca 0.12 0.01 -0.18 0.00 0.11 0.00 0.00 66.00 66.07 1u1f h PRO 72 Cb 0.10 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1u1f h PRO 72 CO -0.02 -0.11 -0.83 0.66 -0.21 0.00 0.00 178.00 177.49 1u1f h SER 73 N -0.17 0.06 -0.41 -2.05 4.64 -1.81 -2.97 113.55 110.85 1u1f h SER 73 Ca 0.21 -0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.51 1u1f h SER 73 Cb 0.51 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 1u1f h SER 73 CO -0.58 0.86 0.21 0.74 -0.87 0.00 0.00 176.83 177.20 1u1f h THR 74 N 0.02 0.98 -0.50 2.95 2.02 -1.22 -1.34 112.91 115.83 1u1f h THR 74 Ca -0.02 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1u1f h THR 74 Cb 1.46 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1u1f h THR 74 CO 0.11 0.08 0.25 0.77 0.37 0.00 0.00 175.52 177.10 1u1f h SER 75 N 0.43 0.62 0.10 4.18 4.64 -0.06 0.22 113.55 123.69 1u1f h SER 75 Ca 0.18 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1u1f h SER 75 Cb 0.07 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1u1f h SER 75 CO -0.12 0.53 -0.05 0.40 -0.87 0.00 0.00 176.83 176.72 1u1f h ILE 76 N 0.70 1.08 0.06 0.95 2.04 -1.34 -2.81 117.51 118.20 1u1f h ILE 76 Ca 0.18 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1u1f h ILE 76 Cb 0.06 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1u1f h ILE 76 CO -0.03 0.18 -0.03 0.00 0.00 0.00 0.00 178.15 178.27 1u1f h ALA 77 N 0.37 -0.08 -0.22 1.87 0.00 -0.79 -1.64 119.26 118.77 1u1f h ALA 77 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1u1f h ALA 77 Cb 0.39 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1u1f h ALA 77 CO 0.02 -0.49 0.12 0.28 0.00 0.00 0.00 179.25 179.18 1u1f h VAL 78 N -0.18 1.01 -0.14 0.00 2.07 -1.09 -0.77 116.25 117.14 1u1f h VAL 78 Ca -0.01 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1u1f h VAL 78 Cb 0.16 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1u1f h VAL 78 CO 0.01 0.05 0.04 -0.08 0.02 0.00 0.00 177.57 177.61 1u1f h GLU 79 N 0.25 0.10 -0.05 1.57 4.57 -1.45 -0.25 114.58 119.32 1u1f h GLU 79 Ca 0.09 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.14 1u1f h GLU 79 Cb 0.01 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1u1f h GLU 79 CO -0.05 0.06 -0.52 0.93 -1.18 0.00 0.00 179.01 178.26 1u1f h GLU 80 N 0.10 0.12 -0.52 1.92 5.08 -1.19 -1.28 114.58 118.82 1u1f h GLU 80 Ca 0.06 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1u1f h GLU 80 Cb 0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1u1f h GLU 80 CO -0.07 0.61 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.45 1u1f h LEU 81 N 0.10 0.87 -0.83 1.33 3.38 -0.94 -2.72 115.31 116.50 1u1f h LEU 81 Ca 0.00 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 1u1f h LEU 81 Cb 0.95 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1u1f h LEU 81 CO 0.07 0.95 0.07 0.00 0.09 0.00 0.00 178.44 179.63 1u1f h ALA 82 N 1.14 1.03 -0.21 1.53 0.00 -0.43 -1.25 119.26 121.07 1u1f h ALA 82 Ca 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1u1f h ALA 82 Cb 0.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1u1f h ALA 82 CO 0.03 0.62 0.04 1.96 0.00 0.00 0.00 179.25 181.89 1u1f h GLN 83 N 0.90 0.29 -0.01 0.00 4.20 -1.15 -2.27 115.11 117.07 1u1f h GLN 83 Ca 0.18 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1u1f h GLN 83 Cb 0.42 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1u1f h GLN 83 CO 0.01 0.29 -0.09 1.28 -0.67 0.00 0.00 178.83 179.65 1u1f n LEU 84 N -4.41 0.98 0.00 1.46 4.77 -0.90 -4.93 117.00 113.97 1u1f n LEU 84 Ca 0.00 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1u1f n LEU 84 Cb 0.15 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1u1f n LEU 84 CO 0.36 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1u1f n GLY 85 N 1.22 0.95 3.72 -0.72 0.00 -0.85 -4.80 105.19 104.71 1u1f n GLY 85 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 4.13 -0.00 -0.61 -1.09 -0.52 -4.39 121.20 116.72 1u1f s ILE 86 Ca 0.00 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.06 1u1f s ILE 86 Cb 0.00 -4.05 -0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1u1f s ILE 86 CO 0.00 0.18 0.00 0.54 -1.23 0.00 0.00 174.94 174.44 1u1f n ARG 87 N 3.34 2.80 -4.35 2.79 5.12 0.16 -4.16 116.66 122.38 1u1f n ARG 87 Ca 0.06 -0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.64 1u1f n ARG 87 Cb 0.47 -1.01 -0.14 0.00 -1.16 0.00 0.00 32.46 30.62 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 -2.02 3.38 -0.13 0.55 2.01 -0.24 -1.37 115.64 117.83 1u1f s THR 88 Ca -0.00 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.51 1u1f s THR 88 Cb 0.00 -2.48 0.01 0.00 0.01 0.00 0.00 72.50 70.04 1u1f s THR 88 CO 0.02 0.48 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.84 1u1f s PHE 89 N 0.79 2.64 -0.23 4.92 0.40 0.96 -1.20 117.98 126.26 1u1f s PHE 89 Ca -0.03 -1.24 0.02 0.00 -0.60 0.00 0.00 56.93 55.08 1u1f s PHE 89 Cb -0.15 -1.78 0.04 0.00 0.51 0.00 0.00 43.02 41.65 1u1f s PHE 89 CO 0.02 -0.54 -0.14 -0.51 0.70 0.00 0.00 175.22 174.75 1u1f s LEU 90 N 0.65 2.85 -0.11 -0.37 1.43 -0.09 -0.93 118.68 122.11 1u1f s LEU 90 Ca -0.11 -1.09 -0.19 0.00 -1.03 0.00 0.00 54.13 51.71 1u1f s LEU 90 Cb -0.16 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 1u1f s LEU 90 CO 0.02 -0.12 0.51 -0.60 0.23 0.00 0.00 176.35 176.38 1u1f s ARG 91 N 1.21 4.35 -0.16 1.70 3.52 -0.23 0.35 118.95 129.68 1u1f s ARG 91 Ca -0.03 0.51 0.01 0.00 -0.13 0.00 0.00 55.73 56.08 1u1f s ARG 91 Cb -0.17 -3.44 0.01 0.00 -1.56 0.00 0.00 34.95 29.78 1u1f s ARG 91 CO -0.08 0.13 -0.17 -1.50 -0.81 0.00 0.00 175.30 172.87 1u1f s ILE 92 N 0.68 2.41 0.30 4.11 -1.16 -1.24 -1.20 121.20 125.10 1u1f s ILE 92 Ca 0.28 -0.85 0.05 0.00 -0.51 0.00 0.00 60.65 59.62 1u1f s ILE 92 Cb -0.15 -2.01 -0.02 0.00 0.61 0.00 0.00 42.46 40.89 1u1f s ILE 92 CO 0.11 0.52 0.19 0.61 -2.81 0.00 0.00 174.94 173.57 1u1f n GLY 93 N 4.25 3.20 3.79 1.50 0.00 -0.39 -3.94 105.19 113.59 1u1f n GLY 93 Ca -0.20 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 43.65 1u1f n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1f s THR 94 N -3.02 4.29 0.08 2.61 -4.23 -1.26 -1.57 115.64 112.54 1u1f s THR 94 Ca 0.27 -1.41 -0.20 0.00 -1.18 0.00 0.00 61.69 59.17 1u1f s THR 94 Cb 0.01 -3.29 0.05 0.00 1.34 0.00 0.00 72.50 70.61 1u1f s THR 94 CO 0.19 -0.30 0.48 0.28 -0.54 0.00 0.00 174.62 174.74 1u1f s THR 95 N -2.07 0.04 -0.26 3.99 -1.32 -0.84 -4.82 115.64 110.37 1u1f s THR 95 Ca 0.32 -0.33 -0.07 0.00 -1.21 0.00 0.00 61.69 60.40 1u1f s THR 95 Cb -0.08 -1.02 -0.02 0.00 -1.51 0.00 0.00 72.50 69.87 1u1f s THR 95 CO 0.24 -0.18 0.07 -0.83 -2.21 0.00 0.00 174.62 171.70 1u1f s GLY 96 N -2.25 1.76 0.39 6.08 0.00 -1.08 -2.33 107.32 109.90 1u1f s GLY 96 Ca -0.03 -1.20 -0.24 0.00 0.00 0.00 0.00 44.72 43.25 1u1f s GLY 96 CO -0.05 0.56 0.99 0.00 0.00 0.00 0.00 173.10 174.59 1u1f s ALA 97 N 1.59 3.10 -0.00 3.20 0.00 0.34 -0.84 121.76 129.15 1u1f s ALA 97 Ca 0.06 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1u1f s ALA 97 Cb -0.15 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1u1f s ALA 97 CO 0.03 -0.01 0.56 0.44 0.00 0.00 0.00 175.76 176.78 1u1f n ILE 98 N -0.06 0.12 -3.99 0.00 -5.35 -0.02 -0.18 119.36 109.88 1u1f n ILE 98 Ca 0.05 -0.56 -0.36 0.00 -0.27 0.00 0.00 62.75 61.61 1u1f n ILE 98 Cb 0.51 0.94 -0.07 0.00 -1.74 0.00 0.00 39.64 39.28 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 -0.12 3.47 0.49 6.28 -1.52 -1.23 -4.77 119.66 122.26 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 -3.13 1.23 0.00 -0.22 0.00 0.00 33.01 30.89 1u1f s GLN 99 CO 0.00 0.66 2.05 -1.35 -0.25 0.00 0.00 175.29 176.40 1u1f h PRO 100 N 5.37 0.00 0.00 2.91 0.11 -1.96 -2.79 132.00 135.64 1u1f h PRO 100 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 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 0.60 0.14 -0.12 -2.39 -0.21 0.00 0.00 178.00 176.03 1u1f n HIS 101 N -4.08 0.33 -3.27 0.65 1.44 -1.26 -4.73 115.22 104.30 1u1f n HIS 101 Ca -0.02 0.10 -0.40 0.00 -2.01 0.00 0.00 57.72 55.39 1u1f n HIS 101 Cb 0.22 -0.62 -0.08 0.00 0.12 0.00 0.00 29.99 29.64 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 -3.05 5.10 0.38 0.61 1.01 -1.06 -5.07 121.20 119.13 1u1f s ILE 102 Ca 0.12 0.82 0.02 0.00 0.00 0.00 0.00 60.65 61.61 1u1f s ILE 102 Cb 0.16 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 1u1f s ILE 102 CO 0.59 0.11 0.57 0.20 0.00 0.00 0.00 174.94 176.41 1u1f s ASN 103 N 1.51 6.02 0.15 3.58 0.01 -1.26 -4.88 114.94 120.06 1u1f s ASN 103 Ca 0.20 0.20 -0.31 0.00 -0.71 0.00 0.00 52.86 52.24 1u1f s ASN 103 Cb -0.16 -1.62 -0.10 0.00 0.41 0.00 0.00 41.25 39.79 1u1f s ASN 103 CO 0.09 -0.49 1.57 -0.69 -1.51 0.00 0.00 177.10 176.08 1u1f s VAL 104 N -2.36 2.73 0.00 1.60 1.01 -1.26 -2.42 120.40 119.70 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 0.00 175.10 176.09 1u1f n GLY 105 N 3.78 2.20 3.78 4.51 0.00 0.52 -5.02 105.19 114.96 1u1f n GLY 105 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1u1f n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1f s ASP 106 N -1.55 5.40 -0.08 1.61 1.11 -1.02 -4.73 116.67 117.43 1u1f s ASP 106 Ca 0.00 1.99 -0.01 0.00 0.18 0.00 0.00 52.55 54.72 1u1f s ASP 106 Cb 0.00 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.40 1u1f s ASP 106 CO 0.00 -1.43 -0.03 0.68 1.18 0.00 0.00 175.17 175.57 1u1f s VAL 107 N -2.24 4.04 -0.11 -1.27 -7.23 -0.39 -0.72 120.40 112.48 1u1f s VAL 107 Ca 0.67 -0.36 0.03 0.00 -1.81 0.00 0.00 61.98 60.52 1u1f s VAL 107 Cb -0.20 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1u1f s VAL 107 CO 0.37 0.60 -0.22 -0.76 -0.31 0.00 0.00 175.10 174.78 1u1f s LEU 108 N -0.87 2.03 -0.21 1.32 1.43 0.38 -1.78 118.68 120.99 1u1f s LEU 108 Ca 0.13 -0.54 -0.08 0.00 -1.03 0.00 0.00 54.13 52.62 1u1f s LEU 108 Cb -0.11 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1u1f s LEU 108 CO 0.02 0.12 0.08 -0.69 0.23 0.00 0.00 176.35 176.11 1u1f s VAL 109 N 0.52 4.73 -0.25 -1.59 1.01 -0.62 -1.15 120.40 123.05 1u1f s VAL 109 Ca -0.15 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 1u1f s VAL 109 Cb -0.17 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1u1f s VAL 109 CO 0.05 0.41 0.49 -0.89 0.00 0.00 0.00 175.10 175.17 1u1f s THR 110 N 0.80 5.09 0.04 3.92 2.01 -0.66 -2.25 115.64 124.58 1u1f s THR 110 Ca 0.04 0.85 -0.16 0.00 0.31 0.00 0.00 61.69 62.73 1u1f s THR 110 Cb -0.13 -3.81 -0.32 0.00 0.01 0.00 0.00 72.50 68.25 1u1f s THR 110 CO 0.02 0.11 1.05 0.71 -0.69 0.00 0.00 174.62 175.82 1u1f h THR 111 N 5.36 1.29 -2.78 -0.82 1.35 -1.62 -3.41 112.91 112.28 1u1f h THR 111 Ca -0.30 -2.55 0.04 0.00 -0.55 0.00 0.00 66.41 63.04 1u1f h THR 111 Cb 1.14 2.86 -0.11 0.00 -1.73 0.00 0.00 68.15 70.31 1u1f h THR 111 CO 0.71 0.77 0.30 0.00 -0.25 0.00 0.00 175.52 177.05 1u1f s ALA 112 N -2.80 -1.60 0.02 6.62 0.00 -1.26 -0.35 121.76 122.39 1u1f s ALA 112 Ca -0.10 0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.41 1u1f s ALA 112 Cb 0.05 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 1u1f s ALA 112 CO 0.93 -0.81 -0.22 -1.12 0.00 0.00 0.00 175.76 174.55 1u1f s SER 113 N -2.72 2.61 -0.03 0.00 0.01 -0.16 -2.05 113.70 111.36 1u1f s SER 113 Ca 0.04 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 1u1f s SER 113 Cb -0.02 -0.24 -0.05 0.00 0.21 0.00 0.00 66.02 65.92 1u1f s SER 113 CO -0.08 0.21 1.33 -0.69 0.41 0.00 0.00 173.24 174.42 1u1f s VAL 114 N -0.70 3.92 -1.08 3.43 1.01 0.14 -4.33 120.40 122.79 1u1f s VAL 114 Ca 0.08 1.27 -0.17 0.00 0.00 0.00 0.00 61.98 63.17 1u1f s VAL 114 Cb -0.09 -3.82 0.13 0.00 0.00 0.00 0.00 36.38 32.60 1u1f s VAL 114 CO 0.01 -0.01 1.34 -0.13 0.00 0.00 0.00 175.10 176.31 1u1f s ARG 115 N 2.39 3.81 -0.51 2.72 0.52 -1.26 -1.80 118.95 124.82 1u1f s ARG 115 Ca 0.61 -2.00 0.02 0.00 -0.52 0.00 0.00 55.73 53.84 1u1f s ARG 115 Cb -0.29 -5.08 0.56 0.00 0.52 0.00 0.00 34.95 30.66 1u1f s ARG 115 CO 0.24 -1.87 1.89 1.28 0.02 0.00 0.00 175.30 176.86 1u1f n LEU 116 N 6.68 6.79 -4.59 2.53 4.77 -0.56 -4.96 117.00 127.66 1u1f n LEU 116 Ca 0.32 -3.96 -0.27 0.00 -0.03 0.00 0.00 56.01 52.07 1u1f n LEU 116 Cb 0.47 -0.85 -0.10 0.00 -2.33 0.00 0.00 43.42 40.60 1u1f n LEU 116 CO 0.59 1.29 -0.27 1.51 -1.33 0.00 0.00 177.39 179.18 1u1f s ASP 117 N -1.75 3.48 -0.20 -1.43 -4.77 -1.23 -1.61 116.67 109.16 1u1f s ASP 117 Ca 0.59 -1.43 0.10 0.00 -3.30 0.00 0.00 52.55 48.50 1u1f s ASP 117 Cb 0.48 -0.14 -0.19 0.00 -1.09 0.00 0.00 42.92 41.98 1u1f s ASP 117 CO 0.05 -0.57 -0.05 0.61 0.70 0.00 0.00 175.17 175.90 1u1f n GLY 118 N -0.94 -0.64 0.27 2.12 0.00 -1.26 -4.66 105.19 100.08 1u1f n GLY 118 Ca -0.06 -0.24 -0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.50 1.35 -0.69 4.61 0.00 -1.98 -2.65 119.26 120.40 1u1f h ALA 119 Ca -0.50 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.26 1u1f h ALA 119 Cb 1.97 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1u1f h ALA 119 CO -0.02 0.45 0.46 0.66 0.00 0.00 0.00 179.25 180.79 1u1f h SER 120 N 0.49 0.63 0.55 0.00 4.64 -1.86 -1.19 113.55 116.82 1u1f h SER 120 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1u1f h SER 120 Cb 0.36 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1u1f h SER 120 CO 0.01 0.41 0.00 -0.07 -0.87 0.00 0.00 176.83 176.32 1u1f h LEU 121 N 0.72 0.00 0.00 5.97 3.38 -1.57 -1.52 115.31 122.30 1u1f h LEU 121 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1u1f h LEU 121 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 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 -2.96 0.00 0.00 1.13 8.25 -0.45 -3.91 115.22 117.28 1u1f n HIS 122 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1u1f n HIS 122 Cb 0.19 -0.21 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 -1.21 0.00 -3.70 4.41 3.01 -0.66 -5.08 117.46 114.23 1u1f n PHE 123 Ca 0.17 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.48 1u1f n PHE 123 Cb 0.20 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.58 1u1f n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1f s ALA 124 N -1.99 -1.10 0.82 4.37 0.00 -0.68 -5.00 121.76 118.19 1u1f s ALA 124 Ca 0.00 0.89 -0.12 0.00 0.00 0.00 0.00 51.96 52.73 1u1f s ALA 124 Cb 0.00 -0.27 0.09 0.00 0.00 0.00 0.00 23.12 22.95 1u1f s ALA 124 CO 0.00 -0.26 1.15 -1.25 0.00 0.00 0.00 175.76 175.40 1u1f s PRO 125 N -0.68 1.66 0.43 0.00 0.04 -1.26 -3.83 135.00 131.35 1u1f s PRO 125 Ca -0.08 1.52 0.19 0.00 0.04 0.00 0.00 61.00 62.67 1u1f s PRO 125 Cb -0.03 -1.80 1.13 0.00 0.04 0.00 0.00 34.50 33.83 1u1f s PRO 125 CO 0.04 -2.15 1.84 1.25 0.04 0.00 0.00 177.00 178.02 1u1f h LEU 126 N -1.21 0.38 -2.31 -3.56 5.85 -1.93 -0.97 115.31 111.56 1u1f h LEU 126 Ca -0.45 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1u1f h LEU 126 Cb 1.27 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1u1f h LEU 126 CO 0.46 0.13 -0.03 1.05 -0.34 0.00 0.00 178.44 179.72 1u1f h GLU 127 N 0.37 0.00 -6.57 1.25 9.09 -2.03 -3.42 114.58 113.27 1u1f h GLU 127 Ca 0.50 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.38 1u1f h GLU 127 Cb 1.30 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.42 1u1f h GLU 127 CO -0.19 0.03 0.59 0.12 0.05 0.00 0.00 179.01 179.61 1u1f s PHE 128 N -4.05 3.39 0.11 2.06 2.19 -0.37 -4.99 117.98 116.31 1u1f s PHE 128 Ca -0.03 1.27 -0.30 0.00 0.33 0.00 0.00 56.93 58.20 1u1f s PHE 128 Cb 0.12 -3.48 -0.06 0.00 -1.31 0.00 0.00 43.02 38.29 1u1f s PHE 128 CO 0.49 -1.49 1.15 -1.25 1.83 0.00 0.00 175.22 175.95 1u1f s PRO 129 N 0.56 4.50 -1.46 10.12 0.04 -1.26 -4.94 135.00 142.55 1u1f s PRO 129 Ca 0.58 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 63.21 1u1f s PRO 129 Cb -0.32 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 30.91 1u1f s PRO 129 CO 0.32 -0.12 2.34 0.00 0.04 0.00 0.00 177.00 179.59 1u1f n ALA 130 N 3.28 5.81 -2.80 8.56 0.00 -1.26 -4.75 120.51 129.36 1u1f n ALA 130 Ca 0.06 -3.80 -0.37 0.00 0.00 0.00 0.00 53.44 49.33 1u1f n ALA 130 Cb 0.47 -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 3.08 5.41 0.56 0.00 0.11 -1.26 -0.99 120.40 127.31 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 -3.47 -0.06 0.00 -1.53 0.00 0.00 36.38 31.47 1u1f s VAL 131 CO -0.08 0.61 1.02 0.00 -3.33 0.00 0.00 175.10 173.32 1u1f s ALA 132 N -1.00 2.94 0.27 1.54 0.00 0.52 -4.70 121.76 121.32 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 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.73 1u1f s ALA 132 CO 0.06 -0.54 1.38 0.34 0.00 0.00 0.00 175.76 177.00 1u1f s ASP 133 N -3.13 6.72 0.20 0.00 2.15 0.44 -4.93 116.67 118.13 1u1f s ASP 133 Ca 0.60 2.63 -0.10 0.00 0.43 0.00 0.00 52.55 56.12 1u1f s ASP 133 Cb -0.12 -2.63 0.14 0.00 -0.30 0.00 0.00 42.92 40.00 1u1f s ASP 133 CO 0.37 -0.63 1.79 0.15 -0.17 0.00 0.00 175.17 176.69 1u1f h PHE 134 N 4.60 1.05 -0.45 -5.34 3.04 -1.95 -0.87 116.94 117.01 1u1f h PHE 134 Ca -0.47 -0.05 -0.12 0.00 3.98 0.00 0.00 57.97 61.31 1u1f h PHE 134 Cb 1.22 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 39.39 1u1f h PHE 134 CO 0.59 0.77 -0.20 0.93 -2.02 0.00 0.00 178.31 178.38 1u1f h GLU 135 N 1.03 0.91 -0.40 1.11 5.08 -1.95 -0.90 114.58 119.45 1u1f h GLU 135 Ca 0.25 -0.37 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1u1f h GLU 135 Cb 0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1u1f h GLU 135 CO -0.03 1.03 -0.07 0.00 -1.00 0.00 0.00 179.01 178.93 1u1f h THR 137 N 0.58 1.24 -0.18 0.00 2.02 -1.11 -1.73 112.91 113.73 1u1f h THR 137 Ca 0.11 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.45 1u1f h THR 137 Cb 0.59 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1u1f h THR 137 CO 0.03 0.31 0.10 0.74 0.37 0.00 0.00 175.52 177.08 1u1f h THR 138 N 0.76 1.02 -0.63 3.16 2.02 -1.07 -1.26 112.91 116.91 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 0.32 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1u1f h THR 138 CO -0.00 0.04 0.31 0.00 0.37 0.00 0.00 175.52 176.24 1u1f h ALA 139 N 1.08 1.37 -0.30 6.16 0.00 -1.11 -0.85 119.26 125.62 1u1f h ALA 139 Ca 0.07 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1u1f h ALA 139 Cb -0.00 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1u1f h ALA 139 CO -0.04 0.50 -0.35 -0.07 0.00 0.00 0.00 179.25 179.29 1u1f h LEU 140 N 0.88 0.82 -0.37 0.00 3.38 -1.06 -0.25 115.31 118.71 1u1f h LEU 140 Ca 0.22 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1u1f h LEU 140 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1u1f h LEU 140 CO -0.03 1.14 0.07 0.58 0.09 0.00 0.00 178.44 180.30 1u1f h VAL 141 N 0.51 1.23 -0.62 1.22 2.07 -1.00 -1.08 116.25 118.59 1u1f h VAL 141 Ca 0.04 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 1u1f h VAL 141 Cb 0.94 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1u1f h VAL 141 CO 0.08 0.28 0.06 -0.33 0.02 0.00 0.00 177.57 177.69 1u1f h GLU 142 N 0.45 1.04 -0.37 1.57 5.08 -1.16 -2.02 114.58 119.17 1u1f h GLU 142 Ca 0.11 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 1u1f h GLU 142 Cb 0.34 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1u1f h GLU 142 CO 0.01 0.98 -0.16 0.00 -1.00 0.00 0.00 179.01 178.83 1u1f h ALA 143 N 1.09 1.02 -0.60 3.43 0.00 -0.91 0.03 119.26 123.32 1u1f h ALA 143 Ca 0.19 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1u1f h ALA 143 Cb 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1u1f h ALA 143 CO 0.02 0.59 -0.02 0.00 0.00 0.00 0.00 179.25 179.84 1u1f h ALA 144 N 1.21 0.82 -0.20 0.00 0.00 -1.00 -2.74 119.26 117.35 1u1f h ALA 144 Ca 0.10 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1u1f h ALA 144 Cb 0.62 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1u1f h ALA 144 CO 0.04 0.67 -0.47 0.87 0.00 0.00 0.00 179.25 180.36 1u1f h LYS 145 N 0.98 0.53 -0.62 0.00 1.79 -1.18 -1.54 116.57 116.53 1u1f h LYS 145 Ca 0.17 -0.30 0.07 0.00 -2.18 0.00 0.00 60.65 58.41 1u1f h LYS 145 Cb 0.58 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.19 1u1f h LYS 145 CO 0.03 0.89 0.30 1.03 -1.08 0.00 0.00 179.45 180.63 1u1f h SER 146 N 0.42 0.41 0.50 0.86 0.87 -0.78 -2.01 113.55 113.82 1u1f h SER 146 Ca 0.02 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1u1f h SER 146 Cb 0.99 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1u1f h SER 146 CO 0.09 0.26 -0.51 2.30 -0.53 0.00 0.00 176.83 178.44 1u1f n ILE 147 N -4.88 0.01 -2.21 2.23 -5.35 -1.05 -4.99 119.36 103.11 1u1f n ILE 147 Ca 0.08 -0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.53 1u1f n ILE 147 Cb 0.20 0.26 0.01 0.00 -1.74 0.00 0.00 39.64 38.37 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 0.32 3.95 3.28 0.00 -0.65 -5.07 105.19 108.52 1u1f n GLY 148 Ca 0.05 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 1u1f n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1f s ALA 149 N -3.05 3.96 -0.43 4.61 0.00 -0.79 -5.04 121.76 121.02 1u1f s ALA 149 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 1u1f s ALA 149 Cb -0.00 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.34 1u1f s ALA 149 CO 0.11 0.50 1.44 0.99 0.00 0.00 0.00 175.76 178.80 1u1f s THR 150 N -1.77 3.86 -0.03 0.00 2.01 -1.26 -4.78 115.64 113.67 1u1f s THR 150 Ca 0.35 0.85 0.06 0.00 0.31 0.00 0.00 61.69 63.26 1u1f s THR 150 Cb -0.11 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 1u1f s THR 150 CO 0.29 -0.79 -0.20 -0.89 -0.69 0.00 0.00 174.62 172.33 1u1f s THR 151 N 5.65 2.54 -0.06 -0.82 2.01 -1.26 -1.26 115.64 122.43 1u1f s THR 151 Ca 0.61 -0.93 0.04 0.00 0.31 0.00 0.00 61.69 61.72 1u1f s THR 151 Cb -0.14 -1.94 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 1u1f s THR 151 CO 0.32 0.58 -0.18 -1.00 -0.69 0.00 0.00 174.62 173.64 1u1f s HIS 152 N -0.67 1.90 -0.13 4.92 3.76 -0.73 -4.99 115.29 119.33 1u1f s HIS 152 Ca 0.11 -0.62 -0.01 0.00 -0.15 0.00 0.00 55.06 54.39 1u1f s HIS 152 Cb -0.10 -1.29 -0.02 0.00 1.11 0.00 0.00 32.58 32.28 1u1f s HIS 152 CO -0.00 -0.24 -0.12 0.08 -0.85 0.00 0.00 174.74 173.61 1u1f s VAL 153 N 0.18 3.14 -3.05 -0.90 1.01 -1.26 -1.58 120.40 117.94 1u1f s VAL 153 Ca -0.08 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1u1f s VAL 153 Cb -0.14 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1u1f s VAL 153 CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1u1f n GLY 154 N 3.55 -0.57 3.82 4.51 0.00 -0.96 -4.99 105.19 110.56 1u1f n GLY 154 Ca -0.18 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.52 4.81 -0.03 1.61 1.01 -1.26 -1.54 120.40 121.48 1u1f s VAL 155 Ca 0.00 1.07 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 32.53 1u1f s VAL 155 CO 0.00 0.47 -0.24 -0.89 0.00 0.00 0.00 175.10 174.45 1u1f s THR 156 N -1.20 2.23 -0.30 3.92 2.01 -0.87 -0.82 115.64 120.60 1u1f s THR 156 Ca 0.31 -1.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.06 1u1f s THR 156 Cb -0.18 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 1u1f s THR 156 CO 0.18 0.58 0.68 0.00 -0.69 0.00 0.00 174.62 175.37 1u1f s ALA 157 N -0.61 3.53 -0.36 7.40 0.00 0.06 0.23 121.76 132.02 1u1f s ALA 157 Ca 0.10 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.40 1u1f s ALA 157 Cb -0.10 -3.16 0.04 0.00 0.00 0.00 0.00 23.12 19.90 1u1f s ALA 157 CO -0.01 -1.10 0.16 0.45 0.00 0.00 0.00 175.76 175.26 1u1f s SER 158 N 1.63 5.50 -0.02 0.00 0.15 -0.75 -1.70 113.70 118.51 1u1f s SER 158 Ca 0.27 -1.14 0.01 0.00 0.70 0.00 0.00 55.95 55.80 1u1f s SER 158 Cb -0.15 -1.93 -0.03 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 0.00 173.24 173.63 1u1f s SER 159 N 1.53 5.08 0.00 5.45 0.15 0.37 -1.50 113.70 124.78 1u1f s SER 159 Ca 0.00 0.02 0.24 0.00 0.70 0.00 0.00 55.95 56.91 1u1f s SER 159 Cb -0.20 -1.34 1.05 0.00 -1.71 0.00 0.00 66.02 63.82 1u1f s SER 159 CO 0.04 0.31 1.78 0.47 1.20 0.00 0.00 173.24 177.04 1u1f n ASP 160 N 1.61 0.00 -4.28 5.45 9.92 -0.63 -4.34 116.55 124.28 1u1f n ASP 160 Ca -0.16 0.48 -0.18 0.00 -0.53 0.00 0.00 54.79 54.40 1u1f n ASP 160 Cb 0.53 -0.49 -0.11 0.00 -0.64 0.00 0.00 41.12 40.41 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 -2.99 1.50 0.04 -3.53 -4.23 -1.26 -5.02 115.64 100.15 1u1f s THR 161 Ca 0.12 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 58.77 1u1f s THR 161 Cb 0.16 -1.73 -0.24 0.00 1.34 0.00 0.00 72.50 72.02 1u1f s THR 161 CO 0.44 -0.47 0.98 0.15 -0.54 0.00 0.00 174.62 175.19 1u1f h PHE 162 N 3.19 0.20 0.00 3.99 3.57 -1.97 -3.39 116.94 122.53 1u1f h PHE 162 Ca -0.40 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 60.96 1u1f h PHE 162 Cb 1.20 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.93 1u1f h PHE 162 CO 0.67 1.16 0.00 0.66 -2.23 0.00 0.00 178.31 178.57 1u1f n TYR 163 N -3.33 0.00 -0.10 0.41 4.02 -1.26 -4.32 117.16 112.58 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 1.01 -0.00 0.16 0.00 -0.02 0.00 0.00 39.34 40.48 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 0.77 0.00 -0.72 0.13 -1.87 0.14 132.00 130.46 1u1f h PRO 164 Ca 0.00 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 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 0.81 0.00 0.78 -0.23 0.00 0.00 178.00 179.36 1u1f h GLY 165 N 0.97 0.00 -1.96 1.56 0.00 -1.87 -1.53 103.07 100.24 1u1f h GLY 165 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 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 -2.75 3.29 -3.99 4.80 6.02 -0.89 -4.94 117.38 118.93 1u1f n GLN 166 Ca 0.01 -2.83 -0.31 0.00 -0.01 0.00 0.00 57.00 53.86 1u1f n GLN 166 Cb 0.26 -1.87 -0.02 0.00 1.02 0.00 0.00 30.24 29.63 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 -0.16 -1.99 -3.39 -1.09 2.13 -0.58 -4.95 120.64 110.62 1u1f n GLU 167 Ca 0.22 0.30 -0.37 0.00 0.66 0.00 0.00 57.16 57.97 1u1f n GLU 167 Cb 0.90 -3.97 -0.07 0.00 0.27 0.00 0.00 31.44 28.58 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 -6.73 4.28 -0.00 5.31 0.52 0.45 -4.97 118.95 117.81 1u1f s ARG 168 Ca 0.17 0.30 0.17 0.00 -0.52 0.00 0.00 55.73 55.84 1u1f s ARG 168 Cb -0.07 -3.46 -0.20 0.00 0.52 0.00 0.00 34.95 31.74 1u1f s ARG 168 CO 0.92 0.13 0.66 0.66 0.02 0.00 0.00 175.30 177.69 1u1f n TYR 169 N 3.83 0.00 -1.40 -0.53 4.02 -1.26 -4.39 117.16 117.43 1u1f n TYR 169 Ca -0.09 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.42 1u1f n TYR 169 Cb 0.52 -0.08 -0.02 0.00 -0.02 0.00 0.00 39.34 39.74 1u1f n TYR 169 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1u1f n ASP 170 N -1.53 5.63 -3.98 7.72 2.03 -1.26 -4.21 116.55 120.94 1u1f n ASP 170 Ca 0.02 -2.66 -0.25 0.00 0.52 0.00 0.00 54.79 52.42 1u1f n ASP 170 Cb 0.30 -1.50 -0.08 0.00 -0.72 0.00 0.00 41.12 39.12 1u1f n ASP 170 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1u1f s THR 171 N 3.06 0.48 0.09 5.18 -4.23 -1.26 -5.02 115.64 113.94 1u1f s THR 171 Ca 0.56 -2.00 -0.23 0.00 -1.18 0.00 0.00 61.69 58.83 1u1f s THR 171 Cb 0.15 -2.36 -0.15 0.00 1.34 0.00 0.00 72.50 71.48 1u1f s THR 171 CO -0.05 0.00 1.73 0.22 -0.54 0.00 0.00 174.62 175.99 1u1f h TYR 172 N 1.84 -0.04 0.02 3.99 5.03 -1.99 -3.13 116.97 122.69 1u1f h TYR 172 Ca -0.33 -0.00 -0.21 0.00 2.58 0.00 0.00 58.73 60.76 1u1f h TYR 172 Cb 1.27 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.55 1u1f h TYR 172 CO 1.57 -0.02 -0.93 0.66 -1.32 0.00 0.00 178.16 178.11 1u1f h SER 173 N -0.04 0.32 -0.22 -2.11 4.64 -1.97 -3.47 113.55 110.69 1u1f h SER 173 Ca -0.00 -0.27 -0.10 0.00 -0.47 0.00 0.00 61.79 60.95 1u1f h SER 173 Cb 0.03 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 61.98 1u1f h SER 173 CO 0.00 1.09 -0.09 0.61 -0.87 0.00 0.00 176.83 177.57 1u1f n GLY 174 N 0.98 0.73 3.17 -0.77 0.00 -1.18 -5.01 105.19 103.10 1u1f n GLY 174 Ca -0.05 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.96 0.83 -0.06 1.61 1.70 -1.26 -4.91 118.95 114.89 1u1f s ARG 175 Ca 0.00 -1.24 0.03 0.00 -0.47 0.00 0.00 55.73 54.05 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 0.00 175.30 174.17 1u1f s VAL 176 N -3.05 1.38 0.48 4.99 1.01 -1.26 -4.93 120.40 119.03 1u1f s VAL 176 Ca 0.08 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.20 1u1f s VAL 176 Cb 0.01 -1.22 -0.09 0.00 0.00 0.00 0.00 36.38 35.09 1u1f s VAL 176 CO -0.02 0.41 0.99 0.55 0.00 0.00 0.00 175.10 177.02 1u1f n VAL 177 N 3.52 2.82 -0.30 2.92 3.14 -1.26 -4.60 118.33 124.57 1u1f n VAL 177 Ca -0.20 -0.50 0.11 0.00 -2.96 0.00 0.00 64.34 60.78 1u1f n VAL 177 Cb 0.52 -1.17 0.24 0.00 -1.06 0.00 0.00 33.84 32.38 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 1.19 0.08 -0.80 1.45 2.43 -2.00 -0.23 114.38 116.50 1u1f h ARG 178 Ca -0.46 -0.00 0.16 0.00 -0.81 0.00 0.00 59.98 58.86 1u1f h ARG 178 Cb 1.34 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.82 1u1f h ARG 178 CO 0.55 0.05 0.53 1.25 -1.51 0.00 0.00 179.97 180.84 1u1f h HIS 179 N 0.08 0.53 -0.02 2.20 2.76 -2.02 -2.10 115.15 116.58 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 1.02 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.81 1u1f h HIS 179 CO -0.44 0.19 -0.10 1.19 -1.30 0.00 0.00 177.93 177.47 1u1f n PHE 180 N -4.49 0.00 -2.03 5.26 3.01 -0.15 -4.79 117.46 114.27 1u1f n PHE 180 Ca 0.16 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.19 1u1f n PHE 180 Cb 0.55 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.99 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 -1.70 4.20 -0.09 -1.08 1.02 -0.79 -2.15 119.74 119.14 1u1f s LYS 181 Ca 0.20 2.17 0.00 0.00 0.02 0.00 0.00 55.97 58.36 1u1f s LYS 181 Cb 0.15 -3.84 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 4.02 0.43 0.21 -3.33 0.00 -1.26 -4.93 105.19 100.33 1u1f n GLY 182 Ca 0.16 -0.12 -0.12 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 0.69 -0.38 1.61 4.64 -1.74 -2.96 113.55 115.41 1u1f h SER 183 Ca -0.02 -0.41 0.01 0.00 -0.47 0.00 0.00 61.79 60.90 1u1f h SER 183 Cb 0.28 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1u1f h SER 183 CO 0.03 1.16 0.24 -0.03 -0.87 0.00 0.00 176.83 177.35 1u1f h MET 184 N 0.44 0.46 -0.78 4.77 -1.53 -1.92 -0.76 114.93 115.61 1u1f h MET 184 Ca -0.02 -0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.23 1u1f h MET 184 Cb 1.23 -0.10 -0.04 0.00 -0.55 0.00 0.00 31.60 32.13 1u1f h MET 184 CO 0.12 0.31 0.52 1.49 0.14 0.00 0.00 176.91 179.49 1u1f h GLU 185 N 0.48 1.00 -0.28 0.39 4.81 -1.97 -0.12 114.58 118.89 1u1f h GLU 185 Ca 0.15 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1u1f h GLU 185 Cb -0.02 -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 0.00 1.49 -0.73 0.00 0.00 179.01 180.38 1u1f h GLU 186 N 1.03 0.50 -0.72 1.92 4.57 -1.24 -1.93 114.58 118.72 1u1f h GLU 186 Ca 0.29 -0.16 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 1u1f h GLU 186 Cb -0.08 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1u1f h GLU 186 CO -0.07 0.65 0.26 -1.49 -1.18 0.00 0.00 179.01 177.18 1u1f h TRP 187 N 0.29 1.12 -0.45 0.92 -0.00 -0.82 -2.44 115.95 114.57 1u1f h TRP 187 Ca 0.08 -0.10 0.04 0.00 -0.00 0.00 0.00 58.89 58.92 1u1f h TRP 187 Cb 0.42 -0.33 -0.04 0.00 -0.00 0.00 0.00 29.16 29.21 1u1f h TRP 187 CO 0.03 0.87 0.21 1.96 -0.00 0.00 0.00 178.44 181.52 1u1f h GLN 188 N 1.04 0.42 0.00 0.49 4.20 -0.92 -1.27 115.11 119.07 1u1f h GLN 188 Ca 0.24 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 1u1f h GLN 188 Cb 0.25 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1u1f h GLN 188 CO -0.01 0.28 -0.17 0.00 -0.67 0.00 0.00 178.83 178.25 1u1f h ALA 189 N 1.25 1.21 -0.04 3.87 0.00 -1.21 -2.32 119.26 122.01 1u1f h ALA 189 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1u1f h ALA 189 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1u1f h ALA 189 CO -0.15 0.21 0.00 -1.33 0.00 0.00 0.00 179.25 177.98 1u1f n MET 190 N -3.59 1.48 -0.91 0.00 2.81 -0.68 -4.92 117.12 111.30 1u1f n MET 190 Ca -0.01 -0.71 0.00 0.00 -1.81 0.00 0.00 57.70 55.17 1u1f n MET 190 Cb 0.31 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 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 1.10 0.51 3.73 3.03 0.00 -0.87 -5.02 105.19 107.66 1u1f n GLY 191 Ca 0.19 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 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 2.74 -0.03 1.61 1.01 -0.57 -4.59 120.40 118.57 1u1f s VAL 192 Ca 0.00 0.56 -0.21 0.00 0.00 0.00 0.00 61.98 62.33 1u1f s VAL 192 Cb 0.00 -3.36 -0.31 0.00 0.00 0.00 0.00 36.38 32.72 1u1f s VAL 192 CO 0.00 0.06 0.94 0.24 0.00 0.00 0.00 175.10 176.34 1u1f h MET 193 N 6.17 0.35 -3.05 2.72 0.00 -1.31 -3.42 114.93 116.39 1u1f h MET 193 Ca -0.44 -0.56 0.05 0.00 0.00 0.00 0.00 59.70 58.76 1u1f h MET 193 Cb 1.21 0.20 -0.06 0.00 0.00 0.00 0.00 31.60 32.95 1u1f h MET 193 CO 0.86 1.25 0.20 0.54 0.00 0.00 0.00 176.91 179.76 1u1f s ASN 194 N -7.02 -0.27 -0.14 1.22 4.22 -1.26 -0.84 114.94 110.86 1u1f s ASN 194 Ca -0.13 -0.59 -0.01 0.00 -2.14 0.00 0.00 52.86 49.99 1u1f s ASN 194 Cb 0.02 0.71 -0.02 0.00 1.28 0.00 0.00 41.25 43.23 1u1f s ASN 194 CO 0.85 -1.30 -0.10 -0.31 -2.04 0.00 0.00 177.10 174.20 1u1f s TYR 195 N -3.91 2.89 0.00 1.54 4.12 -0.02 -0.76 117.35 121.21 1u1f s TYR 195 Ca 0.11 -0.49 0.00 0.00 0.02 0.00 0.00 57.07 56.71 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 0.06 -0.12 0.00 -0.85 0.02 0.00 0.00 175.55 174.65 1u1f n GLU 196 N 3.46 0.00 0.00 -0.62 -0.00 -0.69 -2.63 120.64 120.17 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 0.61 0.00 3.44 2.81 -1.26 -0.48 117.12 122.23 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 -0.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 1u1f n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1f n GLU 198 N -0.13 2.63 -0.35 0.03 4.71 -1.26 -3.61 120.64 122.66 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 0.29 -0.71 0.11 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 1.13 -0.49 1.62 4.64 -1.94 -1.99 113.55 116.51 1u1f h SER 199 Ca 0.00 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1u1f h SER 199 Cb 0.20 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1u1f h SER 199 CO 0.00 0.86 0.29 0.00 -0.87 0.00 0.00 176.83 177.11 1u1f h ALA 200 N 1.34 0.63 0.21 5.18 0.00 -1.87 0.16 119.26 124.90 1u1f h ALA 200 Ca 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1u1f h ALA 200 Cb -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1u1f h ALA 200 CO -0.06 -0.01 -0.10 1.15 0.00 0.00 0.00 179.25 180.23 1u1f h THR 201 N 0.59 0.87 0.04 0.00 2.02 -1.85 -2.03 112.91 112.54 1u1f h THR 201 Ca 0.20 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1u1f h THR 201 Cb 0.01 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1u1f h THR 201 CO -0.09 0.12 -0.14 0.25 0.37 0.00 0.00 175.52 176.03 1u1f h LEU 202 N -0.55 -0.40 -0.54 2.58 5.85 -1.20 -0.87 115.31 120.18 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 0.41 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1u1f h LEU 202 CO 0.05 -0.20 0.05 -0.07 -0.34 0.00 0.00 178.44 177.93 1u1f h LEU 203 N -0.26 0.89 0.04 2.25 3.38 -0.76 -1.86 115.31 118.99 1u1f h LEU 203 Ca 0.04 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1u1f h LEU 203 Cb 0.30 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1u1f h LEU 203 CO -0.11 0.95 -0.02 0.74 0.09 0.00 0.00 178.44 180.08 1u1f h THR 204 N 0.80 1.10 0.00 0.22 2.02 -1.27 -1.36 112.91 114.42 1u1f h THR 204 Ca 0.16 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 1u1f h THR 204 Cb 0.46 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1u1f h THR 204 CO 0.02 0.12 -0.28 0.00 0.37 0.00 0.00 175.52 175.74 1u1f h MET 205 N -0.26 0.00 0.08 6.66 -0.00 -1.11 -2.09 114.93 118.21 1u1f h MET 205 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.58 1u1f h MET 205 Cb 0.23 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.85 1u1f h MET 205 CO 0.01 0.28 -0.50 0.00 -0.00 0.00 0.00 176.91 176.70 1u1f h ALA 207 N 0.03 1.17 -0.37 0.00 0.00 -1.18 0.12 119.26 119.04 1u1f h ALA 207 Ca -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1u1f h ALA 207 Cb 1.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1u1f h ALA 207 CO 0.08 0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 1u1f n SER 208 N -3.49 3.08 -0.12 0.00 3.41 -0.79 -4.29 113.62 111.42 1u1f n SER 208 Ca -0.01 -1.94 0.01 0.00 -0.26 0.00 0.00 58.87 56.67 1u1f n SER 208 Cb 0.28 -0.24 0.02 0.00 -0.26 0.00 0.00 64.21 64.01 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 1.24 0.81 -1.63 4.33 6.02 -0.90 -5.01 117.38 122.23 1u1f n GLN 209 Ca 0.19 -1.07 -0.09 0.00 -0.01 0.00 0.00 57.00 56.02 1u1f n GLN 209 Cb 0.54 -0.72 -0.02 0.00 1.02 0.00 0.00 30.24 31.06 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 -0.27 0.61 3.67 1.08 0.00 -1.01 -5.03 105.19 104.25 1u1f n GLY 210 Ca 0.02 -0.60 -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 -2.16 3.48 -0.05 0.99 1.43 -0.02 -5.05 118.68 117.30 1u1f s LEU 211 Ca 0.00 -0.01 -0.22 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 44.20 1u1f s LEU 211 CO 0.00 0.29 0.63 -0.13 0.23 0.00 0.00 176.35 177.37 1u1f s ARG 212 N -1.48 4.39 0.00 1.70 0.52 -0.47 -3.83 118.95 119.78 1u1f s ARG 212 Ca 0.19 0.76 0.01 0.00 -0.52 0.00 0.00 55.73 56.17 1u1f s ARG 212 Cb -0.11 -3.41 -0.00 0.00 0.52 0.00 0.00 34.95 31.94 1u1f s ARG 212 CO 0.09 0.18 -0.04 0.00 0.02 0.00 0.00 175.30 175.55 1u1f s ALA 213 N 0.43 0.33 0.12 2.13 0.00 -1.26 -0.03 121.76 123.49 1u1f s ALA 213 Ca 0.33 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.13 1u1f s ALA 213 Cb -0.17 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1u1f s ALA 213 CO 0.16 0.07 -0.12 0.20 0.00 0.00 0.00 175.76 176.07 1u1f s GLY 214 N -0.23 1.01 -0.04 0.00 0.00 -0.11 -0.42 107.32 107.54 1u1f s GLY 214 Ca 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 44.72 43.42 1u1f s GLY 214 CO -0.00 -1.35 0.04 -0.29 0.00 0.00 0.00 173.10 171.49 1u1f s MET 215 N -2.82 0.12 0.02 2.90 1.75 -1.26 -1.07 119.30 118.94 1u1f s MET 215 Ca 0.09 0.25 0.02 0.00 -1.25 0.00 0.00 55.69 54.80 1u1f s MET 215 Cb -0.04 -0.56 -0.01 0.00 2.84 0.00 0.00 34.83 37.06 1u1f s MET 215 CO 0.02 -0.27 -0.07 0.54 -0.65 0.00 0.00 175.02 174.59 1u1f s VAL 216 N 1.81 0.48 -0.03 10.11 0.11 -0.34 -1.66 120.40 130.88 1u1f s VAL 216 Ca 0.01 -0.66 -0.10 0.00 -2.93 0.00 0.00 61.98 58.30 1u1f s VAL 216 Cb -0.12 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1u1f s VAL 216 CO -0.03 -0.13 0.23 0.00 -3.33 0.00 0.00 175.10 171.83 1u1f s ALA 217 N -0.76 -0.56 -0.14 1.54 0.00 -0.30 -1.26 121.76 120.28 1u1f s ALA 217 Ca -0.04 0.26 -0.13 0.00 0.00 0.00 0.00 51.96 52.05 1u1f s ALA 217 Cb -0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1u1f s ALA 217 CO 0.00 -0.20 0.27 0.20 0.00 0.00 0.00 175.76 176.03 1u1f s GLY 218 N -0.94 2.22 -0.33 0.00 0.00 -0.61 -0.47 107.32 107.19 1u1f s GLY 218 Ca -0.10 -0.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.85 1u1f s GLY 218 CO 0.02 0.25 1.10 0.14 0.00 0.00 0.00 173.10 174.60 1u1f s VAL 219 N 0.04 4.45 -0.71 1.40 1.01 0.10 -1.98 120.40 124.71 1u1f s VAL 219 Ca 0.16 1.66 0.11 0.00 0.00 0.00 0.00 61.98 63.91 1u1f s VAL 219 Cb -0.13 -4.42 -0.08 0.00 0.00 0.00 0.00 36.38 31.75 1u1f s VAL 219 CO 0.04 -0.53 0.54 2.30 0.00 0.00 0.00 175.10 177.46 1u1f n ILE 220 N 5.99 0.00 -3.67 2.22 -5.35 -0.98 -0.36 119.36 117.21 1u1f n ILE 220 Ca 0.12 -0.29 -0.14 0.00 -0.27 0.00 0.00 62.75 62.17 1u1f n ILE 220 Cb 0.47 1.05 -0.08 0.00 -1.74 0.00 0.00 39.64 39.34 1u1f n ILE 220 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1u1f s VAL 221 N -1.84 0.01 -0.19 7.28 1.01 -1.24 -4.95 120.40 120.47 1u1f s VAL 221 Ca 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1u1f s VAL 221 Cb 0.09 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1u1f s VAL 221 CO 0.39 -0.02 -0.08 0.21 0.00 0.00 0.00 175.10 175.60 1u1f s ASN 222 N -0.02 4.09 0.52 3.32 3.84 -1.26 -0.50 114.94 124.92 1u1f s ASN 222 Ca -0.02 -0.41 0.29 0.00 0.21 0.00 0.00 52.86 52.93 1u1f s ASN 222 Cb -0.04 -1.68 1.34 0.00 -0.55 0.00 0.00 41.25 40.33 1u1f s ASN 222 CO 0.02 0.03 2.00 0.03 -2.79 0.00 0.00 177.10 176.39 1u1f h ARG 223 N 7.73 0.00 -0.00 0.43 2.47 -0.91 -2.23 114.38 121.87 1u1f h ARG 223 Ca -0.38 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 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 0.12 -0.23 0.25 0.56 0.00 0.00 179.97 181.27 1u1f n THR 224 N -3.38 0.00 0.00 2.04 -2.24 -1.26 -5.08 114.28 104.36 1u1f n THR 224 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1u1f n THR 224 Cb 0.30 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1u1f n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1f n GLN 225 N -1.05 0.00 0.00 -0.78 6.02 -0.84 -5.06 117.38 115.67 1u1f n GLN 225 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1u1f n GLN 225 Cb 0.32 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.58 1u1f n GLN 225 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1u1f n THR 233 N 0.00 0.00 -0.04 5.09 -1.04 -1.26 -5.07 114.28 111.96 1u1f n THR 233 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1u1f n THR 233 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1u1f n THR 233 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1u1f h MET 234 N 0.00 0.74 -0.13 -2.82 4.05 -1.96 -1.86 114.93 112.95 1u1f h MET 234 Ca 0.00 -0.49 -0.18 0.00 -0.28 0.00 0.00 59.70 58.75 1u1f h MET 234 Cb 0.00 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1u1f h MET 234 CO 0.00 1.12 -0.67 0.87 0.23 0.00 0.00 176.91 178.46 1u1f h LYS 235 N 0.55 0.52 -0.41 0.39 6.56 -2.02 -2.70 116.57 119.47 1u1f h LYS 235 Ca -0.00 -0.38 -0.11 0.00 -1.06 0.00 0.00 60.65 59.09 1u1f h LYS 235 Cb 1.19 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.90 1u1f h LYS 235 CO 0.12 1.00 -0.21 0.37 -2.06 0.00 0.00 179.45 178.68 1u1f h GLN 236 N 0.37 0.80 -0.13 3.15 4.15 -1.99 -1.95 115.11 119.51 1u1f h GLN 236 Ca -0.02 -0.32 -0.03 0.00 0.77 0.00 0.00 58.65 59.05 1u1f h GLN 236 Cb 1.24 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 1u1f h GLN 236 CO 0.12 0.94 -0.05 1.15 -1.93 0.00 0.00 178.83 179.06 1u1f h THR 237 N 0.70 1.31 -0.77 2.39 2.02 -1.36 -1.85 112.91 115.36 1u1f h THR 237 Ca 0.10 -1.05 0.06 0.00 0.77 0.00 0.00 66.41 66.29 1u1f h THR 237 Cb 0.72 1.73 -0.06 0.00 -1.74 0.00 0.00 68.15 68.80 1u1f h THR 237 CO 0.06 0.30 0.46 -0.08 0.37 0.00 0.00 175.52 176.63 1u1f h GLU 238 N -0.06 0.83 -0.32 6.66 4.81 -1.47 -1.70 114.58 123.33 1u1f h GLU 238 Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1u1f h GLU 238 Cb 0.50 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1u1f h GLU 238 CO 0.02 0.55 0.21 0.77 -0.73 0.00 0.00 179.01 179.82 1u1f h SER 239 N 0.85 0.37 -0.61 1.04 0.02 -1.29 -0.80 113.55 113.13 1u1f h SER 239 Ca 0.33 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.33 1u1f h SER 239 Cb 0.16 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.55 1u1f h SER 239 CO -0.17 0.28 0.31 -0.74 -1.14 0.00 0.00 176.83 175.37 1u1f h HIS 240 N 0.43 0.56 -0.08 3.45 2.76 -0.82 -1.31 115.15 120.14 1u1f h HIS 240 Ca 0.12 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.15 1u1f h HIS 240 Cb -0.04 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.75 1u1f h HIS 240 CO -0.05 0.24 -0.65 0.00 -1.30 0.00 0.00 177.93 176.18 1u1f h ALA 241 N 1.35 0.75 -0.59 5.26 0.00 -1.14 -2.89 119.26 122.00 1u1f h ALA 241 Ca 0.28 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1u1f h ALA 241 Cb 0.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1u1f h ALA 241 CO -0.21 0.75 -0.02 0.28 0.00 0.00 0.00 179.25 180.06 1u1f h VAL 242 N 0.22 1.26 -0.06 0.00 2.07 -0.78 -1.98 116.25 116.98 1u1f h VAL 242 Ca -0.01 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 1u1f h VAL 242 Cb 1.18 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1u1f h VAL 242 CO 0.10 0.42 -0.26 0.11 0.02 0.00 0.00 177.57 177.96 1u1f h LYS 243 N 0.95 0.10 0.05 1.57 1.57 -1.18 -2.82 116.57 116.81 1u1f h LYS 243 Ca 0.17 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.69 1u1f h LYS 243 Cb 0.57 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.89 1u1f h LYS 243 CO 0.03 0.36 -0.93 0.82 -0.57 0.00 0.00 179.45 179.16 1u1f h ILE 244 N 0.09 1.36 0.00 1.86 2.04 -1.29 -2.78 117.51 118.80 1u1f h ILE 244 Ca 0.01 -2.29 -0.06 0.00 1.00 0.00 0.00 64.86 63.52 1u1f h ILE 244 Cb 0.52 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1u1f h ILE 244 CO 0.04 0.68 -0.30 1.62 0.00 0.00 0.00 178.15 180.19 1u1f h VAL 245 N 0.10 1.15 0.02 1.67 3.04 -1.31 0.19 116.25 121.11 1u1f h VAL 245 Ca -0.13 -1.06 -0.17 0.00 -1.01 0.00 0.00 66.70 64.33 1u1f h VAL 245 Cb 1.63 1.58 0.01 0.00 -2.01 0.00 0.00 31.29 32.50 1u1f h VAL 245 CO 0.18 0.30 -0.68 0.58 -1.01 0.00 0.00 177.57 176.94 1u1f h VAL 246 N 0.00 1.42 -0.20 1.51 2.07 -1.59 -2.74 116.25 116.72 1u1f h VAL 246 Ca -0.00 -2.15 -0.05 0.00 0.82 0.00 0.00 66.70 65.31 1u1f h VAL 246 Cb 0.56 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1u1f h VAL 246 CO 0.04 0.63 -0.12 -0.08 0.02 0.00 0.00 177.57 178.06 1u1f h GLU 247 N -0.08 0.32 -0.36 1.57 4.57 -1.28 -2.31 114.58 117.02 1u1f h GLU 247 Ca -0.09 -0.08 -0.16 0.00 -1.18 0.00 0.00 59.36 57.85 1u1f h GLU 247 Cb 1.40 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.94 1u1f h GLU 247 CO 0.13 0.45 -0.41 0.00 -1.18 0.00 0.00 179.01 178.00 1u1f h ALA 248 N 1.58 0.53 -0.57 2.92 0.00 -1.02 -3.00 119.26 119.70 1u1f h ALA 248 Ca 0.06 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1u1f h ALA 248 Cb 0.40 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1u1f h ALA 248 CO 0.02 0.65 0.38 0.00 0.00 0.00 0.00 179.25 180.30 1u1f h ALA 249 N 0.74 1.72 -0.79 0.00 0.00 -1.15 -2.47 119.26 117.31 1u1f h ALA 249 Ca 0.05 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1u1f h ALA 249 Cb 1.01 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1u1f h ALA 249 CO 0.10 0.22 0.48 0.00 0.00 0.00 0.00 179.25 180.05 1u1f h ARG 250 N 0.65 0.87 0.00 0.00 3.08 -1.28 -2.11 114.38 115.59 1u1f h ARG 250 Ca 0.23 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1u1f h ARG 250 Cb 0.10 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1u1f h ARG 250 CO -0.06 0.57 0.00 0.00 -1.07 0.00 0.00 179.97 179.41 1u1f h ARG 251 N 0.89 0.00 -0.02 0.04 3.08 -1.46 -3.27 114.38 113.65 1u1f h ARG 251 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1u1f h ARG 251 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1u1f h ARG 251 CO -0.16 0.00 -0.34 1.28 -1.07 0.00 0.00 179.97 179.68 1u1f n LEU 252 N -3.01 2.30 0.00 3.04 4.77 -0.83 -5.08 117.00 118.19 1u1f n LEU 252 Ca 0.02 -0.83 0.09 0.00 -0.03 0.00 0.00 56.01 55.27 1u1f n LEU 252 Cb 0.40 0.00 0.55 0.00 -2.33 0.00 0.00 43.42 42.05 1u1f n LEU 252 CO 0.30 0.41 0.75 0.18 -1.33 0.00 0.00 177.39 177.70