#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1g n ASP 5 N 0.00 1.82 -4.45 -3.46 8.00 -0.19 -4.94 116.55 113.33 1u1g n ASP 5 Ca 0.00 -1.40 -0.22 0.00 0.71 0.00 0.00 54.79 53.88 1u1g n ASP 5 Cb 0.00 0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 41.52 1u1g n ASP 5 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1u1g s VAL 6 N -2.55 1.73 0.13 2.53 -7.23 -1.25 -5.08 120.40 108.69 1u1g s VAL 6 Ca 0.17 -2.13 -0.06 0.00 -1.81 0.00 0.00 61.98 58.15 1u1g s VAL 6 Cb 0.18 -2.50 -0.16 0.00 0.56 0.00 0.00 36.38 34.46 1u1g s VAL 6 CO 0.61 -0.27 1.33 -0.26 -0.31 0.00 0.00 175.10 176.20 1u1g h PHE 7 N 2.23 0.75 0.00 2.82 0.04 -1.95 -3.41 116.94 117.41 1u1g h PHE 7 Ca -0.40 -0.37 -0.06 0.00 2.80 0.00 0.00 57.97 59.94 1u1g h PHE 7 Cb 1.24 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 39.28 1u1g h PHE 7 CO 0.69 1.17 -1.20 0.72 -0.60 0.00 0.00 178.31 179.09 1u1g n HIS 8 N -3.83 0.00 0.19 -0.55 8.25 -1.26 -4.82 115.22 113.20 1u1g n HIS 8 Ca -0.07 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.44 1u1g n HIS 8 Cb 0.78 -0.13 0.37 0.00 1.12 0.00 0.00 29.99 32.13 1u1g n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1g h LEU 9 N -0.05 0.00 -1.39 2.41 3.38 -1.93 -3.46 115.31 114.28 1u1g h LEU 9 Ca -0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1u1g h LEU 9 Cb 1.11 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.91 1u1g h LEU 9 CO -0.03 0.38 -0.27 0.61 0.09 0.00 0.00 178.44 179.22 1u1g n GLY 10 N -0.12 0.27 3.15 0.83 0.00 -1.26 -4.71 105.19 103.35 1u1g n GLY 10 Ca -0.01 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 1u1g n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1g s LEU 11 N -3.50 2.29 0.30 0.99 1.43 -1.26 -4.81 118.68 114.12 1u1g s LEU 11 Ca 0.11 -0.63 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 1u1g s LEU 11 Cb -0.05 -0.44 -0.04 0.00 0.03 0.00 0.00 46.19 45.70 1u1g s LEU 11 CO 0.27 -0.12 0.18 0.42 0.23 0.00 0.00 176.35 177.34 1u1g s THR 12 N -1.41 3.73 0.48 5.49 -4.23 -1.26 -1.02 115.64 117.42 1u1g s THR 12 Ca -0.03 -1.54 0.13 0.00 -1.18 0.00 0.00 61.69 59.07 1u1g s THR 12 Cb -0.09 -3.16 0.26 0.00 1.34 0.00 0.00 72.50 70.85 1u1g s THR 12 CO 0.02 -0.27 2.11 0.50 -0.54 0.00 0.00 174.62 176.43 1u1g h LYS 13 N 1.50 0.20 0.00 3.99 3.11 -1.97 -2.14 116.57 121.26 1u1g h LYS 13 Ca -0.46 -0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 57.30 1u1g h LYS 13 Cb 1.25 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.42 1u1g h LYS 13 CO 0.60 0.14 -0.31 -0.91 -2.81 0.00 0.00 179.45 176.16 1u1g h ASN 14 N 0.20 0.00 0.25 4.20 2.35 -1.95 -2.91 115.58 117.72 1u1g h ASN 14 Ca 0.05 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1u1g h ASN 14 Cb -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1u1g h ASN 14 CO -0.01 0.31 -0.19 0.44 -1.65 0.00 0.00 177.43 176.34 1u1g h ASP 15 N 0.00 0.00 1.34 5.81 3.32 -1.79 -3.02 116.42 122.09 1u1g h ASP 15 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1u1g h ASP 15 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1u1g h ASP 15 CO 0.04 0.19 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.29 1u1g h LEU 16 N 0.00 0.00 1.49 1.55 3.38 -1.60 -3.48 115.31 116.65 1u1g h LEU 16 Ca -0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 1u1g h LEU 16 Cb 0.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1u1g h LEU 16 CO 0.02 0.38 -0.54 0.00 0.09 0.00 0.00 178.44 178.40 1u1g n GLN 17 N -3.28 -3.63 -0.35 1.13 6.02 -1.14 -2.45 117.38 113.68 1u1g n GLN 17 Ca 0.02 0.79 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 1u1g n GLN 17 Cb 0.63 -5.55 0.00 0.00 1.02 0.00 0.00 30.24 26.33 1u1g n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1g n GLY 18 N -1.26 0.81 3.77 1.08 0.00 -1.26 -4.84 105.19 103.49 1u1g n GLY 18 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1u1g n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1g s ALA 19 N -2.06 3.47 0.00 4.61 0.00 -1.02 -4.94 121.76 121.82 1u1g s ALA 19 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1u1g s ALA 19 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1u1g s ALA 19 CO 0.00 -0.50 0.08 0.25 0.00 0.00 0.00 175.76 175.58 1u1g n THR 20 N 0.94 0.00 -5.08 0.00 -2.24 -1.26 -4.34 114.28 102.30 1u1g n THR 20 Ca -0.00 -0.47 -0.32 0.00 -2.27 0.00 0.00 64.05 60.99 1u1g n THR 20 Cb 0.43 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.52 1u1g n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1g s LEU 21 N -1.59 2.38 -0.03 3.22 0.20 -1.26 0.18 118.68 121.77 1u1g s LEU 21 Ca 0.00 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 54.48 1u1g s LEU 21 Cb 0.00 -1.44 0.01 0.00 -0.43 0.00 0.00 46.19 44.33 1u1g s LEU 21 CO 0.00 0.32 -0.05 0.00 -0.29 0.00 0.00 176.35 176.33 1u1g s ALA 22 N -0.69 0.60 -0.17 5.97 0.00 -0.35 -2.38 121.76 124.74 1u1g s ALA 22 Ca 0.11 -0.14 -0.19 0.00 0.00 0.00 0.00 51.96 51.74 1u1g s ALA 22 Cb -0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1u1g s ALA 22 CO 0.00 0.06 0.53 0.42 0.00 0.00 0.00 175.76 176.77 1u1g s ILE 23 N 0.44 5.11 -0.54 0.00 1.01 0.30 -1.25 121.20 126.28 1u1g s ILE 23 Ca -0.06 1.00 0.04 0.00 0.00 0.00 0.00 60.65 61.63 1u1g s ILE 23 Cb -0.09 -3.85 0.14 0.00 0.01 0.00 0.00 42.46 38.66 1u1g s ILE 23 CO -0.00 0.21 0.29 0.68 0.00 0.00 0.00 174.94 176.12 1u1g s VAL 24 N 1.38 2.55 0.85 2.92 -7.23 0.52 -1.64 120.40 119.75 1u1g s VAL 24 Ca 0.26 -3.42 -0.13 0.00 -1.81 0.00 0.00 61.98 56.88 1u1g s VAL 24 Cb -0.15 -2.76 0.11 0.00 0.56 0.00 0.00 36.38 34.13 1u1g s VAL 24 CO 0.10 -0.84 1.20 -2.16 -0.31 0.00 0.00 175.10 173.09 1u1g s PRO 25 N -0.43 1.64 -0.06 4.82 0.04 -1.24 -3.57 135.00 136.21 1u1g s PRO 25 Ca 0.18 0.04 -0.11 0.00 0.04 0.00 0.00 61.00 61.15 1u1g s PRO 25 Cb -0.23 -1.92 -0.30 0.00 0.04 0.00 0.00 34.50 32.09 1u1g s PRO 25 CO -0.02 -1.81 0.64 0.78 0.04 0.00 0.00 177.00 176.62 1u1g h GLY 26 N -1.21 0.44 -6.18 0.56 0.00 -1.85 -1.07 103.07 93.76 1u1g h GLY 26 Ca -0.46 -1.12 -0.60 0.00 0.00 0.00 0.00 47.33 45.14 1u1g h GLY 26 CO 0.61 0.98 0.28 -0.35 0.00 0.00 0.00 176.54 178.06 1u1g s ASP 27 N -7.27 6.68 0.47 0.19 -1.08 -1.26 -1.69 116.67 112.71 1u1g s ASP 27 Ca -0.17 0.84 0.16 0.00 -0.52 0.00 0.00 52.55 52.86 1u1g s ASP 27 Cb 0.05 -2.37 1.14 0.00 -1.46 0.00 0.00 42.92 40.28 1u1g s ASP 27 CO 0.84 -0.42 2.03 -0.65 0.52 0.00 0.00 175.17 177.49 1u1g h PRO 28 N 7.80 0.25 0.00 4.34 0.11 -1.91 -2.51 132.00 140.09 1u1g h PRO 28 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1u1g h PRO 28 Cb 1.11 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1u1g h PRO 28 CO 0.81 0.16 0.00 -0.25 -0.21 0.00 0.00 178.00 178.51 1u1g n ASP 29 N -4.47 0.37 -0.33 -2.05 9.92 -1.26 -3.06 116.55 115.67 1u1g n ASP 29 Ca 0.06 0.55 0.12 0.00 -0.53 0.00 0.00 54.79 54.99 1u1g n ASP 29 Cb 0.32 -0.65 0.11 0.00 -0.64 0.00 0.00 41.12 40.26 1u1g n ASP 29 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1u1g n ARG 30 N -1.87 0.88 -0.13 -1.24 1.74 -0.95 -4.49 116.66 110.61 1u1g n ARG 30 Ca 0.05 -0.67 -0.10 0.00 -0.77 0.00 0.00 57.85 56.37 1u1g n ARG 30 Cb 0.32 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.26 1u1g n ARG 30 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1u1g h VAL 31 N 1.64 1.22 -0.83 1.55 2.07 -1.59 -2.73 116.25 117.57 1u1g h VAL 31 Ca 0.00 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 1u1g h VAL 31 Cb 0.64 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1u1g h VAL 31 CO 0.00 0.25 0.45 -0.08 0.02 0.00 0.00 177.57 178.21 1u1g h GLU 32 N 0.46 1.17 -0.93 1.57 4.81 -1.81 -2.35 114.58 117.51 1u1g h GLU 32 Ca 0.12 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1u1g h GLU 32 Cb 0.27 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.38 1u1g h GLU 32 CO -0.00 0.87 0.55 0.87 -0.73 0.00 0.00 179.01 180.56 1u1g h LYS 33 N 1.16 1.27 -0.16 1.92 1.57 -1.78 -1.62 116.57 118.93 1u1g h LYS 33 Ca 0.29 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.82 1u1g h LYS 33 Cb 0.05 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.10 1u1g h LYS 33 CO -0.05 0.89 -0.40 0.82 -0.57 0.00 0.00 179.45 180.15 1u1g h ILE 34 N 1.28 1.35 -0.18 1.86 2.04 -1.32 -3.24 117.51 119.30 1u1g h ILE 34 Ca 0.33 -1.66 -0.04 0.00 1.00 0.00 0.00 64.86 64.49 1u1g h ILE 34 Cb -0.04 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1u1g h ILE 34 CO -0.06 0.51 -0.07 0.00 0.00 0.00 0.00 178.15 178.53 1u1g h ALA 35 N 0.55 1.56 0.00 1.87 0.00 -1.25 -2.86 119.26 119.13 1u1g h ALA 35 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1u1g h ALA 35 Cb 1.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1u1g h ALA 35 CO 0.09 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1u1g h ALA 36 N 1.68 1.00 0.00 0.00 0.00 -1.32 -1.00 119.26 119.62 1u1g h ALA 36 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1u1g h ALA 36 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1u1g h ALA 36 CO 0.01 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.19 1u1g h LEU 37 N 0.00 0.00-10.35 0.00 -0.00 -1.63 -3.45 115.31 99.88 1u1g h LEU 37 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 57.38 1u1g h LEU 37 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 1u1g h LEU 37 CO 0.00 0.00 -0.29 -0.04 -0.00 0.00 0.00 178.44 178.11 1u1g s MET 38 N -3.30 2.49 0.30 1.13 -1.94 -0.38 -5.11 119.30 112.49 1u1g s MET 38 Ca 0.06 -1.59 -0.22 0.00 -1.71 0.00 0.00 55.69 52.22 1u1g s MET 38 Cb 0.09 -2.45 -0.09 0.00 2.01 0.00 0.00 34.83 34.39 1u1g s MET 38 CO 0.55 -0.42 0.86 -0.51 -0.01 0.00 0.00 175.02 175.49 1u1g s ASP 39 N -4.30 7.15 -1.17 3.03 1.01 0.37 -4.50 116.67 118.27 1u1g s ASP 39 Ca 0.49 1.64 -0.28 0.00 0.71 0.00 0.00 52.55 55.11 1u1g s ASP 39 Cb -0.05 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.40 1u1g s ASP 39 CO 0.30 -0.08 0.73 0.29 0.21 0.00 0.00 175.17 176.62 1u1g n LYS 40 N 0.40 -0.70 -2.66 8.23 5.02 -1.26 0.59 118.16 127.79 1u1g n LYS 40 Ca 0.01 0.27 -0.38 0.00 -2.02 0.00 0.00 58.31 56.18 1u1g n LYS 40 Cb 0.51 -3.24 -0.05 0.00 -0.02 0.00 0.00 35.03 32.23 1u1g n LYS 40 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1u1g s PRO 41 N -6.71 4.59 -0.08 1.97 0.02 -1.26 -4.32 135.00 129.21 1u1g s PRO 41 Ca 0.48 1.51 -0.07 0.00 0.02 0.00 0.00 61.00 62.94 1u1g s PRO 41 Cb -0.22 -2.97 0.02 0.00 0.02 0.00 0.00 34.50 31.36 1u1g s PRO 41 CO 0.92 0.25 0.21 0.54 -0.33 0.00 0.00 177.00 178.59 1u1g s VAL 42 N -1.41 -0.01 0.08 3.83 0.11 0.30 -4.99 120.40 118.32 1u1g s VAL 42 Ca 0.48 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 59.26 1u1g s VAL 42 Cb -0.24 -0.30 -0.06 0.00 -1.53 0.00 0.00 36.38 34.25 1u1g s VAL 42 CO 0.30 0.01 1.11 -0.75 -3.33 0.00 0.00 175.10 172.45 1u1g s LYS 43 N 0.34 4.52 -0.22 1.54 2.20 -1.26 -0.99 119.74 125.87 1u1g s LYS 43 Ca -0.02 1.66 -0.10 0.00 -0.36 0.00 0.00 55.97 57.15 1u1g s LYS 43 Cb -0.03 -3.35 -0.10 0.00 -1.51 0.00 0.00 37.83 32.83 1u1g s LYS 43 CO -0.01 -0.09 -0.28 1.28 -0.36 0.00 0.00 175.35 175.89 1u1g n LEU 44 N 3.40 1.69 -3.57 5.43 4.77 -0.35 -4.94 117.00 123.42 1u1g n LEU 44 Ca 0.06 0.24 -0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1u1g n LEU 44 Cb 0.47 -0.66 -0.06 0.00 -2.33 0.00 0.00 43.42 40.85 1u1g n LEU 44 CO 0.54 0.50 0.30 0.00 -1.33 0.00 0.00 177.39 177.40 1u1g s ALA 45 N -2.41 -1.40 -0.23 -1.18 0.00 -1.15 -5.02 121.76 110.36 1u1g s ALA 45 Ca -0.31 0.76 -0.03 0.00 0.00 0.00 0.00 51.96 52.38 1u1g s ALA 45 Cb 0.12 0.27 0.11 0.00 0.00 0.00 0.00 23.12 23.62 1u1g s ALA 45 CO 0.40 -0.46 0.23 0.45 0.00 0.00 0.00 175.76 176.39 1u1g s SER 46 N -1.74 1.65 -0.02 0.00 0.15 -1.26 -0.91 113.70 111.57 1u1g s SER 46 Ca -0.07 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1u1g s SER 46 Cb -0.01 0.35 0.03 0.00 -1.71 0.00 0.00 66.02 64.68 1u1g s SER 46 CO 0.01 -0.35 0.01 -1.00 1.20 0.00 0.00 173.24 173.11 1u1g s HIS 47 N 2.32 0.17 0.00 3.44 3.76 -0.53 -5.00 115.29 119.45 1u1g s HIS 47 Ca 0.08 0.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.05 1u1g s HIS 47 Cb -0.15 -0.31 0.00 0.00 1.11 0.00 0.00 32.58 33.23 1u1g s HIS 47 CO -0.20 -0.10 0.00 0.54 -0.85 0.00 0.00 174.74 174.13 1u1g n ARG 48 N 4.08 0.00 -0.42 1.40 5.12 -1.26 -0.55 116.66 125.02 1u1g n ARG 48 Ca -0.26 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 55.75 1u1g n ARG 48 Cb 0.51 0.00 0.30 0.00 -1.16 0.00 0.00 32.46 32.10 1u1g n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 1u1g n GLU 49 N 14.00 2.89 -3.46 5.56 0.00 -1.26 -4.83 120.64 133.54 1u1g n GLU 49 Ca 0.00 -2.38 -0.43 0.00 0.00 0.00 0.00 57.16 54.35 1u1g n GLU 49 Cb 0.00 -1.64 -0.07 0.00 0.00 0.00 0.00 31.44 29.73 1u1g n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1g s PHE 50 N -1.45 3.37 -0.17 -1.84 0.40 0.29 -4.20 117.98 114.37 1u1g s PHE 50 Ca 0.43 -1.67 -0.05 0.00 -0.60 0.00 0.00 56.93 55.04 1u1g s PHE 50 Cb 0.25 -3.62 -0.03 0.00 0.51 0.00 0.00 43.02 40.13 1u1g s PHE 50 CO 0.26 -1.00 0.01 0.99 0.70 0.00 0.00 175.22 176.17 1u1g s THR 51 N 1.42 4.27 -0.11 0.64 2.01 -1.26 -1.45 115.64 121.16 1u1g s THR 51 Ca 0.05 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 61.86 1u1g s THR 51 Cb -0.27 -2.90 0.01 0.00 0.01 0.00 0.00 72.50 69.35 1u1g s THR 51 CO 0.01 0.48 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.33 1u1g s THR 52 N 0.39 1.77 0.16 -0.82 2.01 -0.09 -1.88 115.64 117.18 1u1g s THR 52 Ca -0.01 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 61.27 1u1g s THR 52 Cb -0.13 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1u1g s THR 52 CO 0.02 0.50 -0.23 0.26 -0.69 0.00 0.00 174.62 174.48 1u1g s TRP 53 N 0.70 2.10 0.01 4.92 0.52 0.04 -1.21 118.94 126.03 1u1g s TRP 53 Ca -0.11 -0.40 0.08 0.00 0.02 0.00 0.00 56.10 55.68 1u1g s TRP 53 Cb -0.16 -1.08 -0.02 0.00 -1.15 0.00 0.00 33.47 31.06 1u1g s TRP 53 CO 0.02 0.38 -0.24 0.50 0.02 0.00 0.00 176.95 177.63 1u1g s ARG 54 N -2.44 1.75 0.29 4.98 3.52 -0.16 -1.02 118.95 125.87 1u1g s ARG 54 Ca 0.16 -0.94 -0.02 0.00 -0.13 0.00 0.00 55.73 54.80 1u1g s ARG 54 Cb -0.08 -1.79 -0.02 0.00 -1.56 0.00 0.00 34.95 31.50 1u1g s ARG 54 CO 0.07 0.48 0.34 0.00 -0.81 0.00 0.00 175.30 175.38 1u1g s ALA 55 N -0.68 0.95 -0.14 6.12 0.00 -0.29 -0.54 121.76 127.19 1u1g s ALA 55 Ca 0.09 -1.58 -0.01 0.00 0.00 0.00 0.00 51.96 50.46 1u1g s ALA 55 Cb -0.09 1.27 -0.02 0.00 0.00 0.00 0.00 23.12 24.28 1u1g s ALA 55 CO 0.01 -0.72 -0.10 -2.00 0.00 0.00 0.00 175.76 172.95 1u1g s GLU 56 N -3.59 3.46 -0.19 0.00 2.12 0.20 -0.43 118.70 120.27 1u1g s GLU 56 Ca 0.34 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 55.04 1u1g s GLU 56 Cb 0.02 -2.72 0.05 0.00 0.26 0.00 0.00 34.13 31.74 1u1g s GLU 56 CO 0.18 0.24 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.91 1u1g s LEU 57 N 0.31 2.00 -1.26 2.70 2.96 0.87 -0.48 118.68 125.77 1u1g s LEU 57 Ca -0.08 -0.86 -0.02 0.00 -0.22 0.00 0.00 54.13 52.95 1u1g s LEU 57 Cb -0.15 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.51 1u1g s LEU 57 CO 0.05 -0.19 0.13 0.47 -1.32 0.00 0.00 176.35 175.49 1u1g n ASP 58 N 4.78 -4.45 0.00 3.68 10.43 -1.26 -1.17 116.55 128.57 1u1g n ASP 58 Ca -0.12 0.02 0.00 0.00 2.57 0.00 0.00 54.79 57.26 1u1g n ASP 58 Cb 0.46 -3.72 0.00 0.00 1.84 0.00 0.00 41.12 39.70 1u1g n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u1g n GLY 59 N -0.97 0.72 3.41 0.44 0.00 -1.26 -5.06 105.19 102.47 1u1g n GLY 59 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1u1g n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1g s LYS 60 N -0.57 2.73 0.25 1.61 -0.14 -0.32 -5.08 119.74 118.22 1u1g s LYS 60 Ca 0.00 -0.73 -0.30 0.00 -1.36 0.00 0.00 55.97 53.58 1u1g s LYS 60 Cb 0.00 -2.40 -0.10 0.00 -1.68 0.00 0.00 37.83 33.66 1u1g s LYS 60 CO 0.00 0.48 1.32 -1.25 -0.76 0.00 0.00 175.35 175.14 1u1g s PRO 61 N -0.36 4.37 -0.00 -1.68 0.04 -1.26 -0.09 135.00 136.02 1u1g s PRO 61 Ca 0.03 2.14 0.02 0.00 0.04 0.00 0.00 61.00 63.23 1u1g s PRO 61 Cb -0.12 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 1u1g s PRO 61 CO 0.02 -0.24 -0.06 0.08 0.04 0.00 0.00 177.00 176.84 1u1g s VAL 62 N -0.37 0.50 -0.11 -0.36 1.01 0.43 -4.54 120.40 116.95 1u1g s VAL 62 Ca 0.54 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 1u1g s VAL 62 Cb -0.38 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1u1g s VAL 62 CO 0.44 0.10 0.08 -0.63 0.00 0.00 0.00 175.10 175.09 1u1g s ILE 63 N -0.25 5.03 -0.15 2.22 -1.09 -1.00 -1.13 121.20 124.83 1u1g s ILE 63 Ca 0.01 0.03 0.01 0.00 -2.23 0.00 0.00 60.65 58.48 1u1g s ILE 63 Cb -0.03 -3.17 0.02 0.00 -1.58 0.00 0.00 42.46 37.69 1u1g s ILE 63 CO -0.00 0.60 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.44 1u1g s VAL 64 N -0.84 1.83 -0.06 2.92 1.01 -0.19 -0.54 120.40 124.54 1u1g s VAL 64 Ca 0.13 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1u1g s VAL 64 Cb -0.12 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.64 1u1g s VAL 64 CO 0.03 0.50 0.11 0.00 0.00 0.00 0.00 175.10 175.74 1u1g s SER 66 N 1.72 7.32 -0.02 0.00 1.04 -0.79 -3.62 113.70 119.35 1u1g s SER 66 Ca -0.02 2.00 0.17 0.00 0.48 0.00 0.00 55.95 58.57 1u1g s SER 66 Cb -0.12 -2.60 -0.25 0.00 0.10 0.00 0.00 66.02 63.15 1u1g s SER 66 CO -0.05 -0.09 0.39 0.35 0.98 0.00 0.00 173.24 174.82 1u1g n THR 67 N 0.86 0.00 0.00 2.02 -2.24 -0.41 -4.35 114.28 110.16 1u1g n THR 67 Ca 0.01 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1u1g n THR 67 Cb 0.48 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1u1g n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1g n GLY 68 N 1.55 -1.69 3.70 3.38 0.00 -0.68 -3.40 105.19 108.04 1u1g n GLY 68 Ca -0.03 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1u1g n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1g s ILE 69 N -1.66 4.81 0.00 -0.61 1.01 -1.26 -4.71 121.20 118.77 1u1g s ILE 69 Ca 0.00 2.04 0.00 0.00 0.00 0.00 0.00 60.65 62.69 1u1g s ILE 69 Cb 0.00 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1u1g s ILE 69 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1u1g n GLY 70 N 3.01 2.58 0.15 6.18 0.00 -1.26 -4.73 105.19 111.12 1u1g n GLY 70 Ca 0.08 -1.86 -0.07 0.00 0.00 0.00 0.00 46.02 44.16 1u1g n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1g h GLY 71 N 0.00 0.44 0.09 -0.02 0.00 -1.89 -2.93 103.07 98.77 1u1g h GLY 71 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.29 1u1g h GLY 71 CO 0.00 0.07 -0.28 -2.55 0.00 0.00 0.00 176.54 173.78 1u1g h PRO 72 N 0.32 -0.28 -0.05 4.80 0.11 -1.95 0.17 132.00 135.12 1u1g h PRO 72 Ca 0.14 0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.13 1u1g h PRO 72 Cb 0.07 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1u1g h PRO 72 CO -0.11 -0.19 -0.61 0.66 -0.21 0.00 0.00 178.00 177.54 1u1g h SER 73 N -0.29 0.21 -0.38 -2.05 4.64 -1.82 -2.92 113.55 110.93 1u1g h SER 73 Ca 0.13 -0.12 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1u1g h SER 73 Cb 0.50 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 1u1g h SER 73 CO -0.40 0.76 0.23 0.74 -0.87 0.00 0.00 176.83 177.29 1u1g h THR 74 N 0.13 1.04 -0.20 2.95 2.02 -1.27 -2.14 112.91 115.45 1u1g h THR 74 Ca -0.01 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1u1g h THR 74 Cb 1.10 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1u1g h THR 74 CO 0.09 0.08 0.06 0.77 0.37 0.00 0.00 175.52 176.90 1u1g h SER 75 N 0.46 0.24 -0.01 4.18 4.64 -0.51 -0.88 113.55 121.67 1u1g h SER 75 Ca 0.15 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1u1g h SER 75 Cb 0.00 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1u1g h SER 75 CO -0.07 0.24 -0.01 0.40 -0.87 0.00 0.00 176.83 176.51 1u1g h ILE 76 N 0.27 1.39 -0.35 0.95 2.04 -1.32 -2.86 117.51 117.62 1u1g h ILE 76 Ca 0.07 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1u1g h ILE 76 Cb 0.08 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 1u1g h ILE 76 CO -0.01 0.31 0.18 0.00 0.00 0.00 0.00 178.15 178.63 1u1g h ALA 77 N 0.52 0.46 -0.35 1.87 0.00 -0.96 -1.94 119.26 118.86 1u1g h ALA 77 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1u1g h ALA 77 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1u1g h ALA 77 CO 0.00 0.00 0.10 0.28 0.00 0.00 0.00 179.25 179.63 1u1g h VAL 78 N 0.44 1.21 -0.31 0.00 2.07 -1.29 -1.42 116.25 116.96 1u1g h VAL 78 Ca 0.12 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1u1g h VAL 78 Cb 0.09 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1u1g h VAL 78 CO -0.02 0.24 0.20 -0.08 0.02 0.00 0.00 177.57 177.94 1u1g h GLU 79 N 0.40 0.40 -0.04 1.57 4.57 -1.44 -1.16 114.58 118.88 1u1g h GLU 79 Ca 0.11 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.13 1u1g h GLU 79 Cb 0.27 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1u1g h GLU 79 CO -0.00 0.26 -0.61 0.93 -1.18 0.00 0.00 179.01 178.42 1u1g h GLU 80 N 0.41 0.16 -0.28 1.92 5.08 -1.29 -2.10 114.58 118.47 1u1g h GLU 80 Ca 0.11 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1u1g h GLU 80 Cb -0.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1u1g h GLU 80 CO -0.03 0.71 -0.28 -0.07 -1.00 0.00 0.00 179.01 178.34 1u1g h LEU 81 N 0.11 0.59 -0.79 1.33 3.38 -1.13 -2.80 115.31 115.99 1u1g h LEU 81 Ca -0.01 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 1u1g h LEU 81 Cb 1.10 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1u1g h LEU 81 CO 0.09 0.85 0.02 0.00 0.09 0.00 0.00 178.44 179.48 1u1g h ALA 82 N 1.19 0.99 -0.13 1.53 0.00 -0.87 -1.33 119.26 120.65 1u1g h ALA 82 Ca 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1u1g h ALA 82 Cb 0.75 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1u1g h ALA 82 CO 0.06 0.62 -0.06 1.96 0.00 0.00 0.00 179.25 181.83 1u1g h GLN 83 N 0.86 0.19 -0.00 0.00 4.20 -1.29 -2.66 115.11 116.40 1u1g h GLN 83 Ca 0.16 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1u1g h GLN 83 Cb 0.49 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1u1g h GLN 83 CO 0.02 0.27 -0.33 1.28 -0.67 0.00 0.00 178.83 179.40 1u1g n LEU 84 N -4.36 0.37 0.00 1.46 4.77 -0.94 -4.94 117.00 113.36 1u1g n LEU 84 Ca -0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1u1g n LEU 84 Cb 0.20 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1u1g n LEU 84 CO 0.37 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1u1g n GLY 85 N 1.48 0.88 3.73 -0.72 0.00 -0.87 -4.81 105.19 104.89 1u1g n GLY 85 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1u1g n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1g s ILE 86 N -1.61 3.54 0.00 -0.61 -1.09 -0.56 -4.55 121.20 116.31 1u1g s ILE 86 Ca 0.00 1.23 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 1u1g s ILE 86 Cb 0.00 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 1u1g s ILE 86 CO 0.00 0.17 0.00 0.54 -1.23 0.00 0.00 174.94 174.42 1u1g n ARG 87 N 2.89 0.63 -5.03 2.79 5.12 0.13 -4.25 116.66 118.94 1u1g n ARG 87 Ca 0.06 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.68 1u1g n ARG 87 Cb 0.44 -0.95 -0.17 0.00 -1.16 0.00 0.00 32.46 30.62 1u1g n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1g s THR 88 N -1.81 1.77 -0.11 0.55 2.01 -0.73 -1.92 115.64 115.41 1u1g s THR 88 Ca 0.00 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1u1g s THR 88 Cb 0.00 -1.55 0.01 0.00 0.01 0.00 0.00 72.50 70.97 1u1g s THR 88 CO 0.00 0.50 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.90 1u1g s PHE 89 N 0.42 2.10 -0.21 4.92 0.40 0.08 -1.21 117.98 124.48 1u1g s PHE 89 Ca -0.17 -0.97 0.01 0.00 -0.60 0.00 0.00 56.93 55.21 1u1g s PHE 89 Cb -0.17 -1.48 0.03 0.00 0.51 0.00 0.00 43.02 41.91 1u1g s PHE 89 CO 0.07 -0.47 -0.16 -0.51 0.70 0.00 0.00 175.22 174.85 1u1g s LEU 90 N 0.84 2.58 -0.05 -0.37 1.43 -0.38 -1.58 118.68 121.14 1u1g s LEU 90 Ca -0.09 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.03 1u1g s LEU 90 Cb -0.15 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 1u1g s LEU 90 CO 0.00 -0.06 0.32 -0.60 0.23 0.00 0.00 176.35 176.24 1u1g s ARG 91 N 1.25 3.82 -0.03 1.70 3.52 -0.51 -0.36 118.95 128.35 1u1g s ARG 91 Ca 0.01 0.22 0.05 0.00 -0.13 0.00 0.00 55.73 55.88 1u1g s ARG 91 Cb -0.15 -3.24 -0.01 0.00 -1.56 0.00 0.00 34.95 29.99 1u1g s ARG 91 CO -0.10 0.66 -0.18 -1.50 -0.81 0.00 0.00 175.30 173.37 1u1g s ILE 92 N -0.86 1.47 0.33 4.11 1.10 -1.23 -2.00 121.20 124.11 1u1g s ILE 92 Ca 0.20 -0.76 -0.13 0.00 -0.51 0.00 0.00 60.65 59.45 1u1g s ILE 92 Cb -0.15 -1.24 0.05 0.00 0.15 0.00 0.00 42.46 41.27 1u1g s ILE 92 CO 0.10 0.42 0.70 0.61 -2.11 0.00 0.00 174.94 174.66 1u1g n GLY 93 N 2.92 1.09 3.96 1.50 0.00 -1.06 -4.06 105.19 109.54 1u1g n GLY 93 Ca -0.17 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.43 1u1g n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1g s THR 94 N -2.21 5.01 0.11 2.61 -4.23 -1.26 -2.03 115.64 113.64 1u1g s THR 94 Ca 0.14 -1.02 -0.18 0.00 -1.18 0.00 0.00 61.69 59.45 1u1g s THR 94 Cb -0.04 -3.76 0.04 0.00 1.34 0.00 0.00 72.50 70.08 1u1g s THR 94 CO 0.10 -0.30 0.43 0.28 -0.54 0.00 0.00 174.62 174.58 1u1g s THR 95 N -2.02 0.06 -0.22 3.99 -1.32 -0.98 -4.84 115.64 110.31 1u1g s THR 95 Ca 0.36 -0.48 -0.04 0.00 -1.21 0.00 0.00 61.69 60.32 1u1g s THR 95 Cb -0.09 -1.10 -0.01 0.00 -1.51 0.00 0.00 72.50 69.79 1u1g s THR 95 CO 0.29 -0.26 -0.03 -0.83 -2.21 0.00 0.00 174.62 171.58 1u1g s GLY 96 N -2.57 1.63 0.39 6.08 0.00 -1.20 -2.37 107.32 109.28 1u1g s GLY 96 Ca 0.00 -1.15 -0.20 0.00 0.00 0.00 0.00 44.72 43.38 1u1g s GLY 96 CO -0.09 0.42 0.90 0.00 0.00 0.00 0.00 173.10 174.32 1u1g s ALA 97 N 1.45 3.13 -0.21 3.20 0.00 -0.49 -1.45 121.76 127.38 1u1g s ALA 97 Ca 0.05 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1u1g s ALA 97 Cb -0.14 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 19.93 1u1g s ALA 97 CO -0.02 0.18 0.60 0.44 0.00 0.00 0.00 175.76 176.97 1u1g n ILE 98 N -0.42 0.10 -3.99 0.00 -5.35 -0.19 -0.91 119.36 108.60 1u1g n ILE 98 Ca 0.05 -0.55 -0.36 0.00 -0.27 0.00 0.00 62.75 61.62 1u1g n ILE 98 Cb 0.53 0.98 -0.07 0.00 -1.74 0.00 0.00 39.64 39.34 1u1g n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1g s GLN 99 N -0.23 3.46 0.49 6.28 -1.52 -1.24 -4.79 119.66 122.12 1u1g s GLN 99 Ca 0.02 -0.22 0.21 0.00 -1.95 0.00 0.00 55.36 53.42 1u1g s GLN 99 Cb 0.02 -3.13 1.27 0.00 -0.22 0.00 0.00 33.01 30.95 1u1g s GLN 99 CO 0.02 0.66 2.05 -1.35 -0.25 0.00 0.00 175.29 176.43 1u1g h PRO 100 N 5.36 0.00 0.00 2.91 0.11 -1.96 -2.94 132.00 135.48 1u1g h PRO 100 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1u1g h PRO 100 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u1g h PRO 100 CO 0.60 0.14 -0.16 -2.39 -0.21 0.00 0.00 178.00 175.98 1u1g n HIS 101 N -4.02 0.32 -3.21 0.65 1.44 -1.26 -4.75 115.22 104.39 1u1g n HIS 101 Ca -0.02 0.09 -0.40 0.00 -2.01 0.00 0.00 57.72 55.38 1u1g n HIS 101 Cb 0.22 -0.60 -0.07 0.00 0.12 0.00 0.00 29.99 29.66 1u1g n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1g s ILE 102 N -3.05 5.07 0.32 0.61 1.01 -1.11 -5.07 121.20 118.97 1u1g s ILE 102 Ca 0.12 0.98 0.02 0.00 0.00 0.00 0.00 60.65 61.77 1u1g s ILE 102 Cb 0.16 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1u1g s ILE 102 CO 0.60 0.12 0.49 0.20 0.00 0.00 0.00 174.94 176.34 1u1g s ASN 103 N 1.34 6.24 0.14 3.58 0.01 -1.26 -4.90 114.94 120.10 1u1g s ASN 103 Ca 0.24 0.26 -0.31 0.00 -0.71 0.00 0.00 52.86 52.33 1u1g s ASN 103 Cb -0.16 -1.88 -0.10 0.00 0.41 0.00 0.00 41.25 39.53 1u1g s ASN 103 CO 0.09 -0.26 1.61 -0.69 -1.51 0.00 0.00 177.10 176.34 1u1g s VAL 104 N -2.21 2.68 0.00 1.60 1.01 -1.26 -2.36 120.40 119.86 1u1g s VAL 104 Ca 0.39 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1u1g s VAL 104 Cb -0.09 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1u1g s VAL 104 CO 0.33 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1u1g n GLY 105 N 3.85 1.74 3.78 4.51 0.00 -0.22 -5.03 105.19 113.83 1u1g n GLY 105 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1u1g n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1g s ASP 106 N -1.69 4.81 -0.08 1.61 1.11 -1.00 -4.78 116.67 116.67 1u1g s ASP 106 Ca 0.00 1.78 0.03 0.00 0.18 0.00 0.00 52.55 54.53 1u1g s ASP 106 Cb 0.00 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.45 1u1g s ASP 106 CO 0.00 -1.83 -0.15 -0.69 1.18 0.00 0.00 175.17 173.68 1u1g s VAL 107 N -2.90 2.96 -0.08 -1.27 1.01 -0.30 -1.35 120.40 118.47 1u1g s VAL 107 Ca 0.61 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1u1g s VAL 107 Cb -0.16 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1u1g s VAL 107 CO 0.54 0.57 -0.25 -0.76 0.00 0.00 0.00 175.10 175.21 1u1g s LEU 108 N -0.34 2.08 -0.16 3.92 1.43 0.19 -1.70 118.68 124.10 1u1g s LEU 108 Ca 0.03 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.57 1u1g s LEU 108 Cb -0.13 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 1u1g s LEU 108 CO 0.02 0.21 -0.08 -0.69 0.23 0.00 0.00 176.35 176.05 1u1g s VAL 109 N 0.04 3.41 -0.25 -1.59 1.01 -0.61 -1.40 120.40 121.01 1u1g s VAL 109 Ca -0.10 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 1u1g s VAL 109 Cb -0.16 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1u1g s VAL 109 CO 0.06 0.49 0.46 -0.89 0.00 0.00 0.00 175.10 175.22 1u1g s THR 110 N 0.68 5.12 0.01 3.92 2.01 -0.97 -2.17 115.64 124.23 1u1g s THR 110 Ca -0.04 0.79 -0.13 0.00 0.31 0.00 0.00 61.69 62.62 1u1g s THR 110 Cb -0.15 -3.78 -0.34 0.00 0.01 0.00 0.00 72.50 68.24 1u1g s THR 110 CO 0.02 0.14 0.91 0.71 -0.69 0.00 0.00 174.62 175.71 1u1g h THR 111 N 5.31 1.19 -2.78 -0.82 1.35 -1.67 -3.41 112.91 112.08 1u1g h THR 111 Ca -0.31 -2.68 0.05 0.00 -0.55 0.00 0.00 66.41 62.92 1u1g h THR 111 Cb 1.15 2.95 -0.11 0.00 -1.73 0.00 0.00 68.15 70.42 1u1g h THR 111 CO 0.70 0.83 0.30 0.00 -0.25 0.00 0.00 175.52 177.10 1u1g s ALA 112 N -2.60 -1.56 0.05 6.62 0.00 -1.26 -0.77 121.76 122.24 1u1g s ALA 112 Ca -0.11 0.36 0.07 0.00 0.00 0.00 0.00 51.96 52.29 1u1g s ALA 112 Cb 0.05 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 1u1g s ALA 112 CO 0.91 -0.85 -0.20 -1.12 0.00 0.00 0.00 175.76 174.51 1u1g s SER 113 N -2.76 2.35 -0.04 0.00 0.01 -0.46 -2.27 113.70 110.54 1u1g s SER 113 Ca 0.05 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 1u1g s SER 113 Cb -0.02 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1u1g s SER 113 CO -0.06 0.13 1.22 -0.69 0.41 0.00 0.00 173.24 174.25 1u1g s VAL 114 N -0.86 4.18 -1.11 3.43 1.01 0.91 -4.39 120.40 123.58 1u1g s VAL 114 Ca 0.06 1.51 -0.17 0.00 0.00 0.00 0.00 61.98 63.39 1u1g s VAL 114 Cb -0.09 -3.97 0.13 0.00 0.00 0.00 0.00 36.38 32.45 1u1g s VAL 114 CO 0.02 0.01 1.37 -0.13 0.00 0.00 0.00 175.10 176.37 1u1g s ARG 115 N 2.14 3.86 -0.51 2.72 0.52 -1.26 -1.96 118.95 124.46 1u1g s ARG 115 Ca 0.57 -2.08 0.02 0.00 -0.52 0.00 0.00 55.73 53.73 1u1g s ARG 115 Cb -0.26 -5.11 0.57 0.00 0.52 0.00 0.00 34.95 30.68 1u1g s ARG 115 CO 0.23 -1.88 1.91 1.28 0.02 0.00 0.00 175.30 176.86 1u1g n LEU 116 N 6.65 6.84 -4.62 2.53 4.77 -0.57 -4.97 117.00 127.63 1u1g n LEU 116 Ca 0.34 -3.91 -0.28 0.00 -0.03 0.00 0.00 56.01 52.13 1u1g n LEU 116 Cb 0.46 -0.86 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1u1g n LEU 116 CO 0.61 1.25 -0.28 1.51 -1.33 0.00 0.00 177.39 179.15 1u1g s ASP 117 N -1.66 3.70 -0.20 -1.43 -4.77 -1.23 -1.98 116.67 109.10 1u1g s ASP 117 Ca 0.59 -1.43 0.11 0.00 -3.30 0.00 0.00 52.55 48.51 1u1g s ASP 117 Cb 0.48 -0.18 -0.19 0.00 -1.09 0.00 0.00 42.92 41.94 1u1g s ASP 117 CO 0.06 -0.55 -0.04 0.61 0.70 0.00 0.00 175.17 175.95 1u1g n GLY 118 N -0.98 -0.67 0.22 2.12 0.00 -1.26 -4.67 105.19 99.95 1u1g n GLY 118 Ca -0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1u1g n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1g h ALA 119 N 0.55 1.21 -0.67 4.61 0.00 -1.98 -2.78 119.26 120.20 1u1g h ALA 119 Ca -0.49 -0.33 0.09 0.00 0.00 0.00 0.00 54.91 54.17 1u1g h ALA 119 Cb 1.98 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 1u1g h ALA 119 CO -0.01 0.52 0.44 0.66 0.00 0.00 0.00 179.25 180.86 1u1g h SER 120 N 0.28 0.50 0.68 0.00 4.64 -1.85 -1.35 113.55 116.46 1u1g h SER 120 Ca 0.04 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1u1g h SER 120 Cb 0.65 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1u1g h SER 120 CO 0.05 0.31 0.00 -0.07 -0.87 0.00 0.00 176.83 176.24 1u1g h LEU 121 N 0.56 0.00 -0.14 5.97 3.38 -1.61 -2.04 115.31 121.42 1u1g h LEU 121 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1u1g h LEU 121 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1u1g h LEU 121 CO -0.10 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.84 1u1g n HIS 122 N -2.86 0.00 0.00 1.13 8.25 -0.51 -3.93 115.22 117.30 1u1g n HIS 122 Ca -0.00 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1u1g n HIS 122 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1u1g n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1g n PHE 123 N -0.82 0.00 -3.68 4.41 3.01 -0.83 -5.09 117.46 114.46 1u1g n PHE 123 Ca 0.23 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.54 1u1g n PHE 123 Cb 0.14 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.53 1u1g n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1g s ALA 124 N -1.82 -1.18 0.86 4.37 0.00 -0.84 -5.02 121.76 118.13 1u1g s ALA 124 Ca 0.00 0.88 -0.10 0.00 0.00 0.00 0.00 51.96 52.73 1u1g s ALA 124 Cb 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 23.12 23.07 1u1g s ALA 124 CO 0.00 -0.29 1.13 -1.25 0.00 0.00 0.00 175.76 175.35 1u1g s PRO 125 N -0.89 1.50 0.50 0.00 0.04 -1.26 -3.95 135.00 130.94 1u1g s PRO 125 Ca -0.09 1.41 0.23 0.00 0.04 0.00 0.00 61.00 62.58 1u1g s PRO 125 Cb -0.03 -1.79 1.31 0.00 0.04 0.00 0.00 34.50 34.02 1u1g s PRO 125 CO 0.05 -2.25 1.98 1.25 0.04 0.00 0.00 177.00 178.07 1u1g h LEU 126 N -1.57 0.10 -1.48 -3.56 5.85 -1.94 -1.40 115.31 111.32 1u1g h LEU 126 Ca -0.43 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1u1g h LEU 126 Cb 1.25 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1u1g h LEU 126 CO 0.45 0.05 0.00 1.05 -0.34 0.00 0.00 178.44 179.66 1u1g h GLU 127 N 0.11 0.00 -6.57 1.25 9.09 -2.03 -3.43 114.58 112.99 1u1g h GLU 127 Ca 0.28 0.00 -0.52 0.00 0.05 0.00 0.00 59.36 59.17 1u1g h GLU 127 Cb 0.96 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.06 1u1g h GLU 127 CO -0.03 0.00 0.49 0.12 0.05 0.00 0.00 179.01 179.64 1u1g s PHE 128 N -3.63 3.55 0.15 2.06 2.19 -0.53 -5.01 117.98 116.76 1u1g s PHE 128 Ca 0.01 1.51 -0.30 0.00 0.33 0.00 0.00 56.93 58.48 1u1g s PHE 128 Cb 0.09 -3.31 -0.07 0.00 -1.31 0.00 0.00 43.02 38.43 1u1g s PHE 128 CO 0.43 -0.76 1.05 -1.25 1.83 0.00 0.00 175.22 176.52 1u1g s PRO 129 N 0.24 4.63 -1.40 10.12 0.04 -1.26 -4.96 135.00 142.41 1u1g s PRO 129 Ca 0.53 1.62 -0.13 0.00 0.04 0.00 0.00 61.00 63.07 1u1g s PRO 129 Cb -0.29 -3.32 0.08 0.00 0.04 0.00 0.00 34.50 31.02 1u1g s PRO 129 CO 0.32 0.11 2.11 0.00 0.04 0.00 0.00 177.00 179.58 1u1g n ALA 130 N 2.58 5.47 -2.88 8.56 0.00 -1.26 -4.78 120.51 128.20 1u1g n ALA 130 Ca 0.03 -4.02 -0.37 0.00 0.00 0.00 0.00 53.44 49.08 1u1g n ALA 130 Cb 0.47 -3.36 -0.06 0.00 0.00 0.00 0.00 19.45 16.51 1u1g n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1g s VAL 131 N 2.28 5.50 0.57 0.00 0.11 -1.26 -1.35 120.40 126.24 1u1g s VAL 131 Ca 0.45 0.17 -0.15 0.00 -2.93 0.00 0.00 61.98 59.52 1u1g s VAL 131 Cb 0.12 -3.42 -0.05 0.00 -1.53 0.00 0.00 36.38 31.50 1u1g s VAL 131 CO -0.06 0.58 1.02 0.00 -3.33 0.00 0.00 175.10 173.31 1u1g s ALA 132 N -1.07 2.97 0.31 1.54 0.00 0.05 -4.73 121.76 120.84 1u1g s ALA 132 Ca 0.17 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.00 1u1g s ALA 132 Cb -0.12 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 1u1g s ALA 132 CO 0.06 -0.53 1.31 0.34 0.00 0.00 0.00 175.76 176.94 1u1g s ASP 133 N -3.30 6.78 0.18 0.00 2.15 -0.13 -4.95 116.67 117.41 1u1g s ASP 133 Ca 0.59 2.66 -0.09 0.00 0.43 0.00 0.00 52.55 56.14 1u1g s ASP 133 Cb -0.12 -2.64 0.07 0.00 -0.30 0.00 0.00 42.92 39.93 1u1g s ASP 133 CO 0.39 -0.54 1.61 0.15 -0.17 0.00 0.00 175.17 176.61 1u1g h PHE 134 N 3.66 1.13 -0.42 -5.34 3.04 -1.96 -1.47 116.94 115.59 1u1g h PHE 134 Ca -0.48 -0.23 -0.13 0.00 3.98 0.00 0.00 57.97 61.10 1u1g h PHE 134 Cb 1.22 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.44 1u1g h PHE 134 CO 0.57 1.05 -0.27 0.93 -2.02 0.00 0.00 178.31 178.56 1u1g h GLU 135 N 0.90 0.89 -0.34 1.11 5.08 -1.96 -1.74 114.58 118.52 1u1g h GLU 135 Ca 0.14 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 1u1g h GLU 135 Cb 0.67 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1u1g h GLU 135 CO 0.05 1.05 -0.06 0.00 -1.00 0.00 0.00 179.01 179.05 1u1g h THR 137 N 0.44 1.23 -0.45 0.00 2.02 -1.26 -2.00 112.91 112.89 1u1g h THR 137 Ca 0.09 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1u1g h THR 137 Cb 0.55 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1u1g h THR 137 CO 0.03 0.28 0.28 0.74 0.37 0.00 0.00 175.52 177.22 1u1g h THR 138 N 0.89 1.13 -0.38 3.16 2.02 -1.25 -2.05 112.91 116.44 1u1g h THR 138 Ca 0.21 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 1u1g h THR 138 Cb 0.18 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1u1g h THR 138 CO -0.02 0.13 -0.06 0.00 0.37 0.00 0.00 175.52 175.94 1u1g h ALA 139 N 1.14 1.19 -0.31 6.16 0.00 -1.15 -1.72 119.26 124.58 1u1g h ALA 139 Ca 0.16 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1u1g h ALA 139 Cb -0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1u1g h ALA 139 CO -0.03 0.52 -0.46 -0.07 0.00 0.00 0.00 179.25 179.21 1u1g h LEU 140 N 0.58 0.89 -0.37 0.00 3.38 -1.17 -1.44 115.31 117.18 1u1g h LEU 140 Ca 0.11 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 1u1g h LEU 140 Cb 0.46 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1u1g h LEU 140 CO 0.02 1.21 -0.11 0.58 0.09 0.00 0.00 178.44 180.23 1u1g h VAL 141 N 0.65 1.28 -0.26 1.22 2.07 -1.21 -2.08 116.25 117.93 1u1g h VAL 141 Ca 0.04 -1.20 -0.10 0.00 0.82 0.00 0.00 66.70 66.25 1u1g h VAL 141 Cb 1.04 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1u1g h VAL 141 CO 0.10 0.40 -0.27 -0.33 0.02 0.00 0.00 177.57 177.49 1u1g h GLU 142 N 0.53 0.51 -0.09 1.57 5.08 -1.32 -2.75 114.58 118.11 1u1g h GLU 142 Ca 0.09 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 1u1g h GLU 142 Cb 0.64 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1u1g h GLU 142 CO 0.04 0.74 -0.51 0.00 -1.00 0.00 0.00 179.01 178.28 1u1g h ALA 143 N 1.26 0.98 -0.48 3.43 0.00 -1.20 -1.95 119.26 121.31 1u1g h ALA 143 Ca 0.06 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.40 1u1g h ALA 143 Cb 0.71 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1u1g h ALA 143 CO 0.05 0.66 -0.07 0.00 0.00 0.00 0.00 179.25 179.90 1u1g h ALA 144 N 1.29 0.98 -0.08 0.00 0.00 -1.18 -2.81 119.26 117.46 1u1g h ALA 144 Ca 0.01 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 1u1g h ALA 144 Cb 0.96 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1u1g h ALA 144 CO 0.08 0.61 -0.56 0.87 0.00 0.00 0.00 179.25 180.25 1u1g h LYS 145 N 0.77 0.24 -0.79 0.00 1.57 -1.35 -1.82 116.57 115.19 1u1g h LYS 145 Ca 0.14 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1u1g h LYS 145 Cb 0.56 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 1u1g h LYS 145 CO 0.03 0.73 0.46 1.03 -0.57 0.00 0.00 179.45 181.13 1u1g h SER 146 N 0.18 0.96 0.19 0.86 0.87 -1.09 -2.83 113.55 112.69 1u1g h SER 146 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1u1g h SER 146 Cb 1.04 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1u1g h SER 146 CO 0.09 0.75 -1.23 2.30 -0.53 0.00 0.00 176.83 178.21 1u1g n ILE 147 N -4.37 0.07 -1.52 2.23 -5.35 -1.14 -5.04 119.36 104.25 1u1g n ILE 147 Ca 0.08 -0.22 -0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1u1g n ILE 147 Cb 0.08 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 1u1g n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u1g n GLY 148 N 1.39 -0.32 3.62 3.28 0.00 -0.73 -5.10 105.19 107.33 1u1g n GLY 148 Ca 0.01 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1u1g n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1g s ALA 149 N -2.95 3.14 -0.46 4.61 0.00 -0.92 -5.04 121.76 120.12 1u1g s ALA 149 Ca 0.00 -1.80 -0.27 0.00 0.00 0.00 0.00 51.96 49.89 1u1g s ALA 149 Cb -0.00 -0.56 0.03 0.00 0.00 0.00 0.00 23.12 22.59 1u1g s ALA 149 CO 0.01 0.18 1.00 0.99 0.00 0.00 0.00 175.76 177.94 1u1g s THR 150 N -2.43 4.39 -0.03 0.00 2.01 -1.26 -4.86 115.64 113.46 1u1g s THR 150 Ca 0.33 0.91 0.06 0.00 0.31 0.00 0.00 61.69 63.30 1u1g s THR 150 Cb -0.04 -4.49 -0.02 0.00 0.01 0.00 0.00 72.50 67.96 1u1g s THR 150 CO 0.19 -0.89 -0.20 -0.89 -0.69 0.00 0.00 174.62 172.15 1u1g s THR 151 N 3.98 2.59 -0.04 -0.82 2.01 -1.26 -1.15 115.64 120.95 1u1g s THR 151 Ca 0.41 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.53 1u1g s THR 151 Cb -0.09 -1.97 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 1u1g s THR 151 CO 0.28 0.57 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.59 1u1g s HIS 152 N -0.69 1.81 -0.12 4.92 3.76 -0.69 -4.99 115.29 119.30 1u1g s HIS 152 Ca 0.11 -0.47 0.02 0.00 -0.15 0.00 0.00 55.06 54.57 1u1g s HIS 152 Cb -0.10 -1.20 -0.01 0.00 1.11 0.00 0.00 32.58 32.38 1u1g s HIS 152 CO 0.00 -0.13 -0.19 0.08 -0.85 0.00 0.00 174.74 173.65 1u1g s VAL 153 N -0.14 2.53 -2.26 -0.90 1.01 -1.26 -1.58 120.40 117.80 1u1g s VAL 153 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1u1g s VAL 153 Cb -0.11 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1u1g s VAL 153 CO 0.01 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1u1g n GLY 154 N 3.56 -0.59 3.83 4.51 0.00 -0.92 -4.99 105.19 110.59 1u1g n GLY 154 Ca -0.19 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 1u1g n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1g s VAL 155 N -3.44 4.88 -0.03 1.61 1.01 -1.26 -1.67 120.40 121.50 1u1g s VAL 155 Ca 0.00 0.91 0.07 0.00 0.00 0.00 0.00 61.98 62.96 1u1g s VAL 155 Cb 0.00 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1u1g s VAL 155 CO 0.00 0.41 -0.24 -0.89 0.00 0.00 0.00 175.10 174.39 1u1g s THR 156 N -1.27 1.89 -0.26 3.92 2.01 -0.96 -1.20 115.64 119.77 1u1g s THR 156 Ca 0.32 -1.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.10 1u1g s THR 156 Cb -0.17 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 1u1g s THR 156 CO 0.18 0.53 0.63 0.00 -0.69 0.00 0.00 174.62 175.27 1u1g s ALA 157 N -0.46 3.60 -0.33 7.40 0.00 -0.34 -0.06 121.76 131.57 1u1g s ALA 157 Ca 0.06 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.52 1u1g s ALA 157 Cb -0.10 -3.05 0.05 0.00 0.00 0.00 0.00 23.12 20.02 1u1g s ALA 157 CO 0.00 -0.85 0.06 0.45 0.00 0.00 0.00 175.76 175.42 1u1g s SER 158 N 1.50 5.11 0.02 0.00 0.15 -0.83 -1.74 113.70 117.91 1u1g s SER 158 Ca 0.26 -1.27 0.04 0.00 0.70 0.00 0.00 55.95 55.68 1u1g s SER 158 Cb -0.15 -1.79 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 1u1g s SER 158 CO 0.09 -0.31 -0.05 -0.55 1.20 0.00 0.00 173.24 173.61 1u1g s SER 159 N 1.37 4.71 0.00 5.45 0.15 0.00 -1.51 113.70 123.88 1u1g s SER 159 Ca -0.03 -0.15 0.25 0.00 0.70 0.00 0.00 55.95 56.72 1u1g s SER 159 Cb -0.20 -1.10 1.08 0.00 -1.71 0.00 0.00 66.02 64.09 1u1g s SER 159 CO 0.00 0.26 1.80 0.47 1.20 0.00 0.00 173.24 176.97 1u1g n ASP 160 N 1.35 0.00 -4.31 5.45 9.92 -0.84 -4.34 116.55 123.78 1u1g n ASP 160 Ca -0.15 0.44 -0.18 0.00 -0.53 0.00 0.00 54.79 54.37 1u1g n ASP 160 Cb 0.52 -0.48 -0.10 0.00 -0.64 0.00 0.00 41.12 40.42 1u1g n ASP 160 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1u1g s THR 161 N -2.95 1.60 0.00 -3.53 -4.23 -1.26 -5.03 115.64 100.24 1u1g s THR 161 Ca 0.13 -2.05 0.10 0.00 -1.18 0.00 0.00 61.69 58.69 1u1g s THR 161 Cb 0.16 -1.89 -0.23 0.00 1.34 0.00 0.00 72.50 71.89 1u1g s THR 161 CO 0.44 -0.54 0.85 0.15 -0.54 0.00 0.00 174.62 174.98 1u1g h PHE 162 N 2.88 0.03 0.00 3.99 3.57 -1.97 -3.40 116.94 122.04 1u1g h PHE 162 Ca -0.39 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1u1g h PHE 162 Cb 1.21 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1u1g h PHE 162 CO 0.69 1.03 0.00 0.66 -2.23 0.00 0.00 178.31 178.46 1u1g n TYR 163 N -3.16 0.00 -0.06 0.41 4.02 -1.26 -4.41 117.16 112.70 1u1g n TYR 163 Ca -0.12 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.70 1u1g n TYR 163 Cb 1.02 -0.00 0.11 0.00 -0.02 0.00 0.00 39.34 40.45 1u1g n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1g h PRO 164 N 0.00 0.71 0.00 -0.72 0.13 -1.88 -0.31 132.00 129.93 1u1g h PRO 164 Ca 0.00 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1u1g h PRO 164 Cb 0.00 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.10 1u1g h PRO 164 CO 0.00 0.88 0.00 0.41 -0.23 0.00 0.00 178.00 179.06 1u1g n GLY 165 N -0.25 -1.13 0.71 1.56 0.00 -1.26 -1.35 105.19 103.47 1u1g n GLY 165 Ca -0.00 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1u1g n GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u1g n GLN 166 N -2.05 2.57 -3.94 1.61 6.02 -0.91 -4.94 117.38 115.74 1u1g n GLN 166 Ca 0.02 -2.78 -0.29 0.00 -0.01 0.00 0.00 57.00 53.95 1u1g n GLN 166 Cb 0.18 -1.76 -0.01 0.00 1.02 0.00 0.00 30.24 29.67 1u1g n GLN 166 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1u1g n GLU 167 N -0.70 -2.43 -3.47 -1.09 1.02 -0.45 -4.97 120.64 108.54 1u1g n GLU 167 Ca 0.20 0.36 -0.37 0.00 -0.02 0.00 0.00 57.16 57.33 1u1g n GLU 167 Cb 0.83 -4.20 -0.07 0.00 -0.02 0.00 0.00 31.44 27.98 1u1g n GLU 167 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1u1g s ARG 168 N -6.58 4.26 0.00 3.49 0.52 -0.17 -4.98 118.95 115.48 1u1g s ARG 168 Ca 0.13 0.17 0.15 0.00 -0.52 0.00 0.00 55.73 55.66 1u1g s ARG 168 Cb -0.06 -3.45 -0.10 0.00 0.52 0.00 0.00 34.95 31.86 1u1g s ARG 168 CO 0.90 0.17 0.72 0.66 0.02 0.00 0.00 175.30 177.77 1u1g n TYR 169 N 3.77 0.00 -1.82 -0.53 4.02 -1.26 -4.43 117.16 116.91 1u1g n TYR 169 Ca -0.10 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.37 1u1g n TYR 169 Cb 0.52 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.83 1u1g n TYR 169 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1u1g n ASP 170 N -0.87 4.77 -3.90 7.72 -0.08 -1.26 -4.29 116.55 118.64 1u1g n ASP 170 Ca 0.04 -2.88 -0.25 0.00 -1.51 0.00 0.00 54.79 50.19 1u1g n ASP 170 Cb 0.27 -1.60 -0.08 0.00 2.34 0.00 0.00 41.12 42.06 1u1g n ASP 170 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1u1g s THR 171 N 2.36 0.41 0.15 5.18 -4.23 -1.26 -5.02 115.64 113.23 1u1g s THR 171 Ca 0.48 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.85 1u1g s THR 171 Cb 0.14 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.70 1u1g s THR 171 CO -0.07 0.00 1.72 0.22 -0.54 0.00 0.00 174.62 175.95 1u1g h TYR 172 N 1.78 0.73 0.12 3.99 5.03 -1.99 -3.22 116.97 123.41 1u1g h TYR 172 Ca -0.32 -0.05 -0.29 0.00 2.58 0.00 0.00 58.73 60.66 1u1g h TYR 172 Cb 1.27 -0.22 -0.00 0.00 1.55 0.00 0.00 36.73 39.33 1u1g h TYR 172 CO 1.74 0.60 -1.37 0.66 -1.32 0.00 0.00 178.16 178.47 1u1g h SER 173 N 0.65 0.40 -0.04 -2.11 4.64 -1.97 -3.48 113.55 111.64 1u1g h SER 173 Ca 0.17 -0.48 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 1u1g h SER 173 Cb 0.16 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1u1g h SER 173 CO -0.02 1.38 -0.02 0.61 -0.87 0.00 0.00 176.83 177.92 1u1g n GLY 174 N 1.59 0.44 3.38 -0.77 0.00 -1.22 -5.02 105.19 103.59 1u1g n GLY 174 Ca -0.12 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 1u1g n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1g s ARG 175 N -0.85 1.40 -0.08 1.61 1.70 -1.26 -4.93 118.95 116.54 1u1g s ARG 175 Ca 0.00 -1.47 0.02 0.00 -0.47 0.00 0.00 55.73 53.82 1u1g s ARG 175 Cb 0.00 -1.59 0.01 0.00 -0.57 0.00 0.00 34.95 32.80 1u1g s ARG 175 CO 0.00 0.33 -0.14 0.08 -1.08 0.00 0.00 175.30 174.49 1u1g s VAL 176 N -1.85 1.33 0.54 4.99 1.01 -1.26 -4.95 120.40 120.20 1u1g s VAL 176 Ca 0.18 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1u1g s VAL 176 Cb -0.07 -1.20 -0.08 0.00 0.00 0.00 0.00 36.38 35.03 1u1g s VAL 176 CO 0.08 0.40 0.83 0.55 0.00 0.00 0.00 175.10 176.96 1u1g n VAL 177 N 3.90 2.88 -0.27 2.92 3.14 -1.26 -4.61 118.33 125.03 1u1g n VAL 177 Ca -0.21 -0.50 0.09 0.00 -2.96 0.00 0.00 64.34 60.75 1u1g n VAL 177 Cb 0.52 -0.99 0.22 0.00 -1.06 0.00 0.00 33.84 32.53 1u1g n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1g h ARG 178 N 0.69 0.20 -0.70 1.45 2.43 -2.00 -1.17 114.38 115.28 1u1g h ARG 178 Ca -0.46 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 58.83 1u1g h ARG 178 Cb 1.37 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.83 1u1g h ARG 178 CO 0.51 0.13 0.47 1.25 -1.51 0.00 0.00 179.97 180.82 1u1g h HIS 179 N 0.20 0.44 -0.02 2.20 2.76 -2.03 -2.36 115.15 116.36 1u1g h HIS 179 Ca 0.47 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.65 1u1g h HIS 179 Cb 0.88 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.70 1u1g h HIS 179 CO -0.31 0.18 -0.25 1.19 -1.30 0.00 0.00 177.93 177.44 1u1g n PHE 180 N -4.47 0.00 -2.00 5.26 3.01 -0.49 -4.81 117.46 113.96 1u1g n PHE 180 Ca 0.13 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.16 1u1g n PHE 180 Cb 0.48 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.93 1u1g n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1u1g s LYS 181 N -1.95 4.20 -0.26 -1.08 -0.14 -0.89 -2.23 119.74 117.40 1u1g s LYS 181 Ca 0.18 2.22 0.00 0.00 -1.36 0.00 0.00 55.97 57.00 1u1g s LYS 181 Cb 0.15 -3.80 0.00 0.00 -1.68 0.00 0.00 37.83 32.50 1u1g s LYS 181 CO 0.39 -0.77 0.00 0.41 -0.76 0.00 0.00 175.35 174.62 1u1g n GLY 182 N 4.03 0.56 0.21 -3.33 0.00 -1.26 -4.94 105.19 100.45 1u1g n GLY 182 Ca 0.16 -0.35 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 1u1g n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1g h SER 183 N 0.00 0.85 -0.61 1.61 4.64 -1.76 -3.13 113.55 115.16 1u1g h SER 183 Ca -0.05 -0.58 0.04 0.00 -0.47 0.00 0.00 61.79 60.72 1u1g h SER 183 Cb 0.31 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 1u1g h SER 183 CO 0.07 1.37 0.36 -0.03 -0.87 0.00 0.00 176.83 177.73 1u1g h MET 184 N 0.47 0.67 -0.90 4.77 -1.53 -1.92 -1.11 114.93 115.37 1u1g h MET 184 Ca -0.06 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.15 1u1g h MET 184 Cb 1.44 -0.15 -0.04 0.00 -0.55 0.00 0.00 31.60 32.30 1u1g h MET 184 CO 0.16 0.44 0.54 1.49 0.14 0.00 0.00 176.91 179.69 1u1g h GLU 185 N 0.69 1.23 -0.21 0.39 4.81 -1.98 -0.36 114.58 119.16 1u1g h GLU 185 Ca 0.25 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1u1g h GLU 185 Cb 0.08 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1u1g h GLU 185 CO -0.13 0.86 0.06 1.49 -0.73 0.00 0.00 179.01 180.56 1u1g h GLU 186 N 1.25 0.32 -0.86 1.92 4.57 -1.37 -2.08 114.58 118.34 1u1g h GLU 186 Ca 0.32 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.41 1u1g h GLU 186 Cb -0.05 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 1u1g h GLU 186 CO -0.06 0.43 0.46 -1.49 -1.18 0.00 0.00 179.01 177.16 1u1g h TRP 187 N 0.16 1.19 -0.56 0.92 -0.00 -0.96 -2.44 115.95 114.26 1u1g h TRP 187 Ca 0.07 -0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.95 1u1g h TRP 187 Cb 0.24 -0.38 -0.04 0.00 -0.00 0.00 0.00 29.16 28.99 1u1g h TRP 187 CO 0.00 0.83 0.34 1.96 -0.00 0.00 0.00 178.44 181.57 1u1g h GLN 188 N 1.20 0.64 0.00 0.49 4.20 -0.96 -1.83 115.11 118.85 1u1g h GLN 188 Ca 0.30 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.93 1u1g h GLN 188 Cb 0.05 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1u1g h GLN 188 CO -0.05 0.43 -0.22 0.00 -0.67 0.00 0.00 178.83 178.32 1u1g h ALA 189 N 1.24 1.28 -0.04 3.87 0.00 -1.15 -2.36 119.26 122.11 1u1g h ALA 189 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1u1g h ALA 189 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1u1g h ALA 189 CO -0.10 0.27 0.00 -1.33 0.00 0.00 0.00 179.25 178.09 1u1g n MET 190 N -3.76 1.54 -0.80 0.00 2.81 -0.85 -4.93 117.12 111.12 1u1g n MET 190 Ca -0.02 -0.78 0.00 0.00 -1.81 0.00 0.00 57.70 55.09 1u1g n MET 190 Cb 0.32 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 1u1g n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1g n GLY 191 N 1.12 0.57 3.73 3.03 0.00 -0.89 -5.03 105.19 107.73 1u1g n GLY 191 Ca 0.19 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1u1g n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1g s VAL 192 N -2.00 2.62 -0.02 1.61 1.01 -0.75 -4.66 120.40 118.21 1u1g s VAL 192 Ca 0.00 0.49 -0.20 0.00 0.00 0.00 0.00 61.98 62.26 1u1g s VAL 192 Cb 0.00 -3.31 -0.29 0.00 0.00 0.00 0.00 36.38 32.78 1u1g s VAL 192 CO 0.00 0.06 0.98 0.24 0.00 0.00 0.00 175.10 176.38 1u1g h MET 193 N 5.72 0.37 -2.81 2.72 0.00 -1.49 -3.42 114.93 116.01 1u1g h MET 193 Ca -0.45 -0.53 0.09 0.00 0.00 0.00 0.00 59.70 58.81 1u1g h MET 193 Cb 1.21 0.18 -0.05 0.00 0.00 0.00 0.00 31.60 32.95 1u1g h MET 193 CO 0.83 1.22 0.32 0.54 0.00 0.00 0.00 176.91 179.82 1u1g s ASN 194 N -6.96 -0.18 -0.08 1.22 4.22 -1.26 -1.02 114.94 110.88 1u1g s ASN 194 Ca -0.13 -0.66 0.02 0.00 -2.14 0.00 0.00 52.86 49.95 1u1g s ASN 194 Cb 0.02 0.68 -0.02 0.00 1.28 0.00 0.00 41.25 43.21 1u1g s ASN 194 CO 0.84 -1.28 -0.13 -0.31 -2.04 0.00 0.00 177.10 174.18 1u1g s TYR 195 N -3.39 2.77 0.03 1.54 4.12 -0.53 -1.20 117.35 120.68 1u1g s TYR 195 Ca 0.13 -0.34 -0.00 0.00 0.02 0.00 0.00 57.07 56.88 1u1g s TYR 195 Cb -0.05 -1.72 0.00 0.00 -1.52 0.00 0.00 41.96 38.67 1u1g s TYR 195 CO 0.07 0.04 0.04 -0.85 0.02 0.00 0.00 175.55 174.86 1u1g n GLU 196 N 2.80 0.05 0.00 -0.62 -0.00 -0.71 -3.22 120.64 118.93 1u1g n GLU 196 Ca -0.18 -0.20 0.00 0.00 -0.00 0.00 0.00 57.16 56.78 1u1g n GLU 196 Cb 0.52 0.20 0.00 0.00 -0.00 0.00 0.00 31.44 32.16 1u1g n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1g n MET 197 N -0.04 1.04 0.00 3.44 2.81 -1.26 -0.82 117.12 122.29 1u1g n MET 197 Ca -0.00 -0.89 0.00 0.00 -1.81 0.00 0.00 57.70 55.00 1u1g n MET 197 Cb 0.04 -0.87 0.00 0.00 -0.71 0.00 0.00 33.22 31.69 1u1g n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1g n GLU 198 N -0.22 4.93 -0.23 0.03 4.71 -1.26 -3.76 120.64 124.83 1u1g n GLU 198 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 1u1g n GLU 198 Cb 0.22 -0.59 0.15 0.00 -1.01 0.00 0.00 31.44 30.21 1u1g n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1g h SER 199 N 0.00 0.94 -0.55 1.62 4.64 -1.94 -2.45 113.55 115.81 1u1g h SER 199 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1u1g h SER 199 Cb 0.00 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 1u1g h SER 199 CO 0.00 0.81 0.36 0.00 -0.87 0.00 0.00 176.83 177.13 1u1g h ALA 200 N 1.33 0.70 0.14 5.18 0.00 -1.88 0.19 119.26 124.92 1u1g h ALA 200 Ca 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1u1g h ALA 200 Cb 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1u1g h ALA 200 CO -0.03 0.15 -0.07 1.15 0.00 0.00 0.00 179.25 180.45 1u1g h THR 201 N 0.74 0.97 0.21 0.00 2.02 -1.89 -2.62 112.91 112.36 1u1g h THR 201 Ca 0.20 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1u1g h THR 201 Cb -0.07 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1u1g h THR 201 CO -0.04 0.12 -0.21 0.25 0.37 0.00 0.00 175.52 176.01 1u1g h LEU 202 N -0.43 -0.56 -0.70 2.58 5.85 -1.30 -1.85 115.31 118.90 1u1g h LEU 202 Ca -0.02 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1u1g h LEU 202 Cb 0.34 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1u1g h LEU 202 CO 0.03 -0.31 0.07 -0.07 -0.34 0.00 0.00 178.44 177.82 1u1g h LEU 203 N -0.45 1.03 -0.08 2.25 3.38 -1.05 -2.29 115.31 118.10 1u1g h LEU 203 Ca -0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1u1g h LEU 203 Cb 0.42 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1u1g h LEU 203 CO -0.05 1.04 -0.01 0.74 0.09 0.00 0.00 178.44 180.25 1u1g h THR 204 N 1.00 1.27 -0.06 0.22 2.02 -1.43 -1.68 112.91 114.25 1u1g h THR 204 Ca 0.19 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 1u1g h THR 204 Cb 0.47 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1u1g h THR 204 CO 0.02 0.24 -0.30 0.00 0.37 0.00 0.00 175.52 175.85 1u1g h MET 205 N -0.15 0.11 0.10 6.66 -0.00 -1.30 -2.36 114.93 117.98 1u1g h MET 205 Ca 0.02 -0.04 -0.16 0.00 -0.00 0.00 0.00 59.70 59.52 1u1g h MET 205 Cb 0.38 -0.01 0.02 0.00 -0.00 0.00 0.00 31.60 31.99 1u1g h MET 205 CO 0.01 0.41 -0.70 0.00 -0.00 0.00 0.00 176.91 176.62 1u1g h ALA 207 N 0.13 1.18 -0.33 0.00 0.00 -1.26 -0.79 119.26 118.21 1u1g h ALA 207 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1u1g h ALA 207 Cb 1.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1u1g h ALA 207 CO 0.13 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.41 1u1g n SER 208 N -3.50 3.19 -0.12 0.00 3.41 -0.89 -4.30 113.62 111.39 1u1g n SER 208 Ca -0.01 -1.96 0.01 0.00 -0.26 0.00 0.00 58.87 56.65 1u1g n SER 208 Cb 0.27 -0.21 0.01 0.00 -0.26 0.00 0.00 64.21 64.03 1u1g n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1g n GLN 209 N 1.33 0.76 -1.77 4.33 6.02 -1.01 -5.02 117.38 122.01 1u1g n GLN 209 Ca 0.19 -1.05 -0.07 0.00 -0.01 0.00 0.00 57.00 56.06 1u1g n GLN 209 Cb 0.57 -0.71 -0.01 0.00 1.02 0.00 0.00 30.24 31.11 1u1g n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1g n GLY 210 N -0.26 0.40 3.59 1.08 0.00 -1.03 -5.04 105.19 103.93 1u1g n GLY 210 Ca 0.02 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 1u1g n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1g s LEU 211 N -1.72 3.14 -0.00 0.99 1.43 -0.33 -5.06 118.68 117.12 1u1g s LEU 211 Ca 0.00 -0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 52.73 1u1g s LEU 211 Cb 0.00 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 1u1g s LEU 211 CO 0.00 0.29 0.64 -0.13 0.23 0.00 0.00 176.35 177.38 1u1g s ARG 212 N -1.38 4.37 -0.01 1.70 0.52 -0.81 -3.96 118.95 119.39 1u1g s ARG 212 Ca 0.17 0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 56.17 1u1g s ARG 212 Cb -0.11 -3.36 -0.00 0.00 0.52 0.00 0.00 34.95 32.00 1u1g s ARG 212 CO 0.07 0.31 0.04 0.00 0.02 0.00 0.00 175.30 175.74 1u1g s ALA 213 N -0.02 -0.10 0.07 2.13 0.00 -1.26 -0.74 121.76 121.84 1u1g s ALA 213 Ca 0.33 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1u1g s ALA 213 Cb -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1u1g s ALA 213 CO 0.18 -0.09 -0.06 0.20 0.00 0.00 0.00 175.76 176.00 1u1g s GLY 214 N -0.57 0.60 -0.04 0.00 0.00 -0.62 -0.95 107.32 105.74 1u1g s GLY 214 Ca -0.06 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1u1g s GLY 214 CO -0.00 -1.22 -0.00 -0.29 0.00 0.00 0.00 173.10 171.59 1u1g s MET 215 N -3.16 0.39 0.00 2.90 1.75 -1.26 -1.42 119.30 118.50 1u1g s MET 215 Ca 0.04 0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.55 1u1g s MET 215 Cb 0.01 -0.59 -0.00 0.00 2.84 0.00 0.00 34.83 37.09 1u1g s MET 215 CO -0.05 -0.16 -0.02 0.54 -0.65 0.00 0.00 175.02 174.69 1u1g s VAL 216 N 1.17 0.11 0.01 10.11 0.11 -0.85 -2.29 120.40 128.77 1u1g s VAL 216 Ca -0.08 -0.22 -0.09 0.00 -2.93 0.00 0.00 61.98 58.67 1u1g s VAL 216 Cb -0.13 -0.13 0.01 0.00 -1.53 0.00 0.00 36.38 34.59 1u1g s VAL 216 CO -0.02 -0.07 0.18 0.00 -3.33 0.00 0.00 175.10 171.86 1u1g s ALA 217 N -0.29 -0.41 -0.16 1.54 0.00 -0.50 -2.56 121.76 119.39 1u1g s ALA 217 Ca -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 1u1g s ALA 217 Cb -0.02 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1u1g s ALA 217 CO -0.00 -0.26 0.02 0.20 0.00 0.00 0.00 175.76 175.71 1u1g s GLY 218 N -1.59 1.83 -0.27 0.00 0.00 -0.86 -0.64 107.32 105.79 1u1g s GLY 218 Ca -0.12 -0.78 -0.29 0.00 0.00 0.00 0.00 44.72 43.53 1u1g s GLY 218 CO 0.00 -0.08 1.17 0.14 0.00 0.00 0.00 173.10 174.33 1u1g s VAL 219 N 0.17 4.38 -0.34 1.40 1.01 -0.46 -2.30 120.40 124.26 1u1g s VAL 219 Ca 0.02 1.61 0.13 0.00 0.00 0.00 0.00 61.98 63.74 1u1g s VAL 219 Cb -0.13 -4.24 -0.16 0.00 0.00 0.00 0.00 36.38 31.85 1u1g s VAL 219 CO 0.02 -0.37 0.42 2.30 0.00 0.00 0.00 175.10 177.47 1u1g n ILE 220 N 5.79 0.00 -3.70 2.22 -5.35 -1.00 -1.06 119.36 116.26 1u1g n ILE 220 Ca 0.13 -0.24 -0.14 0.00 -0.27 0.00 0.00 62.75 62.22 1u1g n ILE 220 Cb 0.46 0.65 -0.08 0.00 -1.74 0.00 0.00 39.64 38.93 1u1g n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1u1g s VAL 221 N -2.50 0.03 -0.19 7.28 0.11 -1.25 -4.93 120.40 118.96 1u1g s VAL 221 Ca 0.01 -0.26 -0.02 0.00 -2.93 0.00 0.00 61.98 58.77 1u1g s VAL 221 Cb 0.09 -0.70 -0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1u1g s VAL 221 CO 0.52 -0.15 -0.09 0.21 -3.33 0.00 0.00 175.10 172.26 1u1g s ASN 222 N -0.94 4.00 0.49 3.54 3.84 -1.26 -1.40 114.94 123.21 1u1g s ASN 222 Ca -0.10 -0.43 0.26 0.00 0.21 0.00 0.00 52.86 52.80 1u1g s ASN 222 Cb -0.04 -1.66 1.27 0.00 -0.55 0.00 0.00 41.25 40.28 1u1g s ASN 222 CO 0.05 0.03 1.99 0.03 -2.79 0.00 0.00 177.10 176.41 1u1g h ARG 223 N 7.73 0.00 0.00 0.43 2.47 -1.36 -2.34 114.38 121.31 1u1g h ARG 223 Ca -0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1u1g h ARG 223 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1u1g h ARG 223 CO 0.60 0.16 -0.46 1.79 0.56 0.00 0.00 179.97 182.62 1u1g h THR 224 N 0.00 0.00 0.00 2.04 1.35 -1.87 -3.51 112.91 110.92 1u1g h THR 224 Ca -0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1u1g h THR 224 Cb 0.46 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1u1g h THR 224 CO 0.02 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.29 1u1g n GLN 225 N -2.40 0.00 0.06 4.72 6.02 -0.88 -5.09 117.38 119.80 1u1g n GLN 225 Ca 0.03 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.82 1u1g n GLN 225 Cb 0.47 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.59 1u1g n GLN 225 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1u1g h ALA 231 N -2.00 0.23 0.76 -1.58 0.00 -1.98 -3.50 119.26 111.19 1u1g h ALA 231 Ca 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 54.91 53.72 1u1g h ALA 231 Cb 0.00 0.40 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1u1g h ALA 231 CO 0.00 1.10 -0.36 1.05 0.00 0.00 0.00 179.25 181.04 1u1g h GLU 232 N 0.09 -0.98 0.00 0.00 4.11 -2.03 -3.22 114.58 112.56 1u1g h GLU 232 Ca -0.31 0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1u1g h GLU 232 Cb 2.06 0.22 0.00 0.00 0.50 0.00 0.00 28.75 31.54 1u1g h GLU 232 CO 0.17 -0.64 0.00 1.79 0.07 0.00 0.00 179.01 180.40 1u1g h THR 233 N -1.22 0.00 -0.66 -1.06 1.35 -2.00 -3.27 112.91 106.05 1u1g h THR 233 Ca -0.10 -0.68 -0.05 0.00 -0.55 0.00 0.00 66.41 65.02 1u1g h THR 233 Cb 0.79 1.66 -0.03 0.00 -1.73 0.00 0.00 68.15 68.85 1u1g h THR 233 CO 0.17 0.00 0.20 -0.03 -0.25 0.00 0.00 175.52 175.61 1u1g h MET 234 N 0.00 1.02 -0.01 4.72 4.05 -1.92 -0.66 114.93 122.14 1u1g h MET 234 Ca 0.00 -0.21 -0.20 0.00 -0.28 0.00 0.00 59.70 59.01 1u1g h MET 234 Cb 0.81 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.45 1u1g h MET 234 CO 0.00 0.88 -0.87 0.87 0.23 0.00 0.00 176.91 178.02 1u1g h LYS 235 N 0.98 0.27 -0.17 0.39 6.56 -1.60 -3.06 116.57 119.94 1u1g h LYS 235 Ca 0.22 -0.28 -0.21 0.00 -1.06 0.00 0.00 60.65 59.32 1u1g h LYS 235 Cb 0.29 0.08 0.01 0.00 -0.57 0.00 0.00 32.23 32.04 1u1g h LYS 235 CO -0.01 0.98 -0.72 0.37 -2.06 0.00 0.00 179.45 178.02 1u1g h GLN 236 N 0.16 0.75 -0.67 3.15 4.15 -1.61 -2.50 115.11 118.54 1u1g h GLN 236 Ca -0.05 -0.57 -0.07 0.00 0.77 0.00 0.00 58.65 58.72 1u1g h GLN 236 Cb 1.48 0.11 -0.03 0.00 0.21 0.00 0.00 27.48 29.26 1u1g h GLN 236 CO 0.14 1.19 0.13 1.15 -1.93 0.00 0.00 178.83 179.51 1u1g h THR 237 N 0.53 1.26 -0.45 2.39 2.02 -1.21 -1.57 112.91 115.88 1u1g h THR 237 Ca -0.03 -1.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.04 1u1g h THR 237 Cb 1.33 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1u1g h THR 237 CO 0.15 0.38 -0.15 -0.33 0.37 0.00 0.00 175.52 175.93 1u1g h GLU 238 N 1.01 0.86 -0.47 6.66 5.08 -1.55 -1.88 114.58 124.29 1u1g h GLU 238 Ca 0.21 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 1u1g h GLU 238 Cb 0.41 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1u1g h GLU 238 CO 0.01 0.96 0.01 0.77 -1.00 0.00 0.00 179.01 179.75 1u1g h SER 239 N 0.77 0.74 -0.31 1.42 0.02 -1.28 -1.49 113.55 113.41 1u1g h SER 239 Ca 0.12 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 1u1g h SER 239 Cb 0.67 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1u1g h SER 239 CO 0.05 0.81 0.06 -0.74 -1.14 0.00 0.00 176.83 175.87 1u1g h HIS 240 N 0.73 0.54 -0.34 3.45 6.17 -1.05 -2.83 115.15 121.82 1u1g h HIS 240 Ca 0.14 -0.07 -0.17 0.00 0.71 0.00 0.00 60.37 60.98 1u1g h HIS 240 Cb 0.43 -0.15 -0.00 0.00 2.52 0.00 0.00 27.41 30.21 1u1g h HIS 240 CO 0.02 0.58 -0.47 0.00 0.71 0.00 0.00 177.93 178.77 1u1g h ALA 241 N 0.90 0.51 -0.74 5.26 0.00 -1.24 -3.09 119.26 120.86 1u1g h ALA 241 Ca 0.10 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1u1g h ALA 241 Cb 0.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1u1g h ALA 241 CO 0.00 0.68 0.35 0.28 0.00 0.00 0.00 179.25 180.56 1u1g h VAL 242 N 0.72 1.24 -0.40 0.00 2.07 -1.30 -1.99 116.25 116.59 1u1g h VAL 242 Ca 0.04 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1u1g h VAL 242 Cb 1.07 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1u1g h VAL 242 CO 0.11 0.29 0.16 0.11 0.02 0.00 0.00 177.57 178.26 1u1g h LYS 243 N 1.06 0.56 -0.17 1.57 1.57 -1.48 -2.76 116.57 116.91 1u1g h LYS 243 Ca 0.26 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 1u1g h LYS 243 Cb 0.12 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1u1g h LYS 243 CO -0.03 0.46 -0.28 0.82 -0.57 0.00 0.00 179.45 179.85 1u1g h ILE 244 N 0.56 1.35 -0.05 1.86 2.04 -1.30 -2.69 117.51 119.28 1u1g h ILE 244 Ca 0.14 -1.51 -0.07 0.00 1.00 0.00 0.00 64.86 64.41 1u1g h ILE 244 Cb 0.11 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1u1g h ILE 244 CO -0.01 0.46 -0.32 1.62 0.00 0.00 0.00 178.15 179.90 1u1g h VAL 245 N 0.14 1.25 -0.05 1.67 3.04 -1.29 0.90 116.25 121.90 1u1g h VAL 245 Ca 0.01 -1.17 -0.24 0.00 -1.01 0.00 0.00 66.70 64.30 1u1g h VAL 245 Cb 0.86 1.57 0.02 0.00 -2.01 0.00 0.00 31.29 31.73 1u1g h VAL 245 CO 0.06 0.34 -0.90 0.58 -1.01 0.00 0.00 177.57 176.65 1u1g h VAL 246 N 0.08 1.29 -0.32 1.51 2.07 -1.55 -2.38 116.25 116.95 1u1g h VAL 246 Ca 0.01 -2.13 -0.07 0.00 0.82 0.00 0.00 66.70 65.33 1u1g h VAL 246 Cb 0.60 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 1u1g h VAL 246 CO 0.04 0.66 -0.12 -0.08 0.02 0.00 0.00 177.57 178.10 1u1g h GLU 247 N 0.38 0.55 -0.52 1.57 4.57 -1.16 -2.44 114.58 117.54 1u1g h GLU 247 Ca -0.10 -0.16 -0.09 0.00 -1.18 0.00 0.00 59.36 57.83 1u1g h GLU 247 Cb 1.55 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 30.06 1u1g h GLU 247 CO 0.18 0.66 -0.04 0.00 -1.18 0.00 0.00 179.01 178.64 1u1g h ALA 248 N 1.37 0.70 -0.41 2.92 0.00 -0.83 -2.92 119.26 120.09 1u1g h ALA 248 Ca 0.09 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1u1g h ALA 248 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1u1g h ALA 248 CO 0.03 0.55 0.27 0.00 0.00 0.00 0.00 179.25 180.10 1u1g h ALA 249 N 0.93 1.76 -1.00 0.00 0.00 -1.14 -2.35 119.26 117.46 1u1g h ALA 249 Ca 0.14 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1u1g h ALA 249 Cb 0.58 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1u1g h ALA 249 CO 0.03 0.20 0.66 0.00 0.00 0.00 0.00 179.25 180.15 1u1g h ARG 250 N 0.51 1.25 -0.00 0.00 3.08 -1.24 -2.52 114.38 115.46 1u1g h ARG 250 Ca 0.16 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1u1g h ARG 250 Cb 0.02 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.78 1u1g h ARG 250 CO -0.04 0.83 -0.04 0.54 -1.07 0.00 0.00 179.97 180.19 1u1g n ARG 251 N -4.43 0.10 -0.14 0.04 1.74 -0.89 -3.57 116.66 109.50 1u1g n ARG 251 Ca 0.13 -0.01 0.06 0.00 -0.77 0.00 0.00 57.85 57.27 1u1g n ARG 251 Cb 0.08 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.16 1u1g n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1u1g n LEU 252 N -1.44 2.74 0.00 0.55 4.77 -0.96 -5.06 117.00 117.59 1u1g n LEU 252 Ca 0.08 -1.75 0.11 0.00 -0.03 0.00 0.00 56.01 54.43 1u1g n LEU 252 Cb 0.32 -0.18 0.65 0.00 -2.33 0.00 0.00 43.42 41.87 1u1g n LEU 252 CO 0.27 0.65 0.84 0.18 -1.33 0.00 0.00 177.39 177.99