#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 0.50 -4.46 -3.46 8.00 -0.79 -4.93 116.55 111.41 1u1g n ASP 5 Ca 0.00 0.13 -0.23 0.00 0.71 0.00 0.00 54.79 55.41 1u1g n ASP 5 Cb 0.00 -0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 40.93 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 -3.07 1.93 0.09 2.53 -7.23 -1.25 -5.08 120.40 108.33 1u1g s VAL 6 Ca 0.10 -2.19 0.10 0.00 -1.81 0.00 0.00 61.98 58.18 1u1g s VAL 6 Cb 0.16 -2.45 -0.10 0.00 0.56 0.00 0.00 36.38 34.55 1u1g s VAL 6 CO 0.66 -0.31 1.40 -0.26 -0.31 0.00 0.00 175.10 176.28 1u1g h PHE 7 N 2.23 0.00 0.00 2.82 0.04 -1.96 -3.41 116.94 116.66 1u1g h PHE 7 Ca -0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.37 1u1g h PHE 7 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 1u1g h PHE 7 CO 0.73 0.79 -0.83 0.72 -0.60 0.00 0.00 178.31 179.11 1u1g n HIS 8 N -3.41 0.00 0.18 -0.55 8.25 -1.26 -4.86 115.22 113.57 1u1g n HIS 8 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 1u1g n HIS 8 Cb 0.81 0.02 0.31 0.00 1.12 0.00 0.00 29.99 32.25 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 0.00 0.00 -1.36 2.41 3.38 -1.93 -3.45 115.31 114.36 1u1g h LEU 9 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1u1g h LEU 9 Cb 0.83 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.66 1u1g h LEU 9 CO 0.00 0.40 -0.34 0.61 0.09 0.00 0.00 178.44 179.21 1u1g n GLY 10 N 0.24 0.16 3.16 0.83 0.00 -1.26 -4.71 105.19 103.62 1u1g n GLY 10 Ca -0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.00 2.25 0.36 0.99 1.43 -1.26 -4.79 118.68 113.66 1u1g s LEU 11 Ca 0.14 -0.57 0.08 0.00 -1.03 0.00 0.00 54.13 52.76 1u1g s LEU 11 Cb -0.06 -0.52 -0.03 0.00 0.03 0.00 0.00 46.19 45.60 1u1g s LEU 11 CO 0.34 -0.05 0.28 0.42 0.23 0.00 0.00 176.35 177.57 1u1g s THR 12 N -1.15 3.19 0.34 5.49 -4.23 -1.26 -1.88 115.64 116.14 1u1g s THR 12 Ca -0.01 -1.44 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 1u1g s THR 12 Cb -0.09 -3.10 0.25 0.00 1.34 0.00 0.00 72.50 70.90 1u1g s THR 12 CO 0.02 -0.13 1.99 0.11 -0.54 0.00 0.00 174.62 176.07 1u1g h LYS 13 N 1.26 0.84 -0.17 3.99 1.57 -1.98 -2.71 116.57 119.38 1u1g h LYS 13 Ca -0.44 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.23 1u1g h LYS 13 Cb 1.26 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1u1g h LYS 13 CO 0.59 0.58 -0.12 -0.97 -0.57 0.00 0.00 179.45 178.96 1u1g h ASN 14 N 0.86 0.25 -0.57 0.86 -0.73 -1.95 -2.95 115.58 111.34 1u1g h ASN 14 Ca 0.23 -0.05 0.05 0.00 1.87 0.00 0.00 56.30 58.40 1u1g h ASN 14 Cb -0.05 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.44 1u1g h ASN 14 CO -0.04 0.40 0.38 0.44 -0.37 0.00 0.00 177.43 178.24 1u1g h ASP 15 N 0.25 0.52 1.27 1.15 3.32 -1.89 -2.60 116.42 118.45 1u1g h ASP 15 Ca 0.05 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 1u1g h ASP 15 Cb 0.38 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1u1g h ASP 15 CO 0.02 0.35 -0.42 -0.07 -1.72 0.00 0.00 179.24 177.40 1u1g h LEU 16 N 0.60 0.00 1.46 1.55 3.38 -1.63 -3.48 115.31 117.19 1u1g h LEU 16 Ca 0.24 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.82 1u1g h LEU 16 Cb 0.20 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.97 1u1g h LEU 16 CO -0.07 0.42 -0.56 0.00 0.09 0.00 0.00 178.44 178.32 1u1g n GLN 17 N -3.31 -3.84 -0.25 1.13 6.02 -0.98 -2.47 117.38 113.68 1u1g n GLN 17 Ca 0.01 0.84 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 1u1g n GLN 17 Cb 0.63 -5.63 0.00 0.00 1.02 0.00 0.00 30.24 26.26 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 -1.32 0.87 3.77 1.08 0.00 -1.26 -4.83 105.19 103.51 1u1g n GLY 18 Ca -0.13 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.00 3.40 0.00 4.61 0.00 -1.03 -4.93 121.76 121.81 1u1g s ALA 19 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1u1g s ALA 19 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1u1g s ALA 19 CO 0.00 -0.70 0.37 0.25 0.00 0.00 0.00 175.76 175.69 1u1g n THR 20 N 0.53 0.09 -4.75 0.00 -2.24 -1.26 -4.34 114.28 102.32 1u1g n THR 20 Ca 0.01 -0.34 -0.25 0.00 -2.27 0.00 0.00 64.05 61.21 1u1g n THR 20 Cb 0.43 1.30 -0.16 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.09 1.91 -0.03 3.22 0.20 -1.26 -1.01 118.68 121.63 1u1g s LEU 21 Ca 0.00 -0.31 0.02 0.00 0.69 0.00 0.00 54.13 54.53 1u1g s LEU 21 Cb 0.00 -0.88 0.00 0.00 -0.43 0.00 0.00 46.19 44.89 1u1g s LEU 21 CO 0.00 0.15 -0.09 0.00 -0.29 0.00 0.00 176.35 176.12 1u1g s ALA 22 N -0.01 0.84 -0.13 5.97 0.00 -0.24 -2.03 121.76 126.16 1u1g s ALA 22 Ca -0.02 -0.31 -0.18 0.00 0.00 0.00 0.00 51.96 51.46 1u1g s ALA 22 Cb -0.10 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 1u1g s ALA 22 CO 0.01 0.13 0.46 0.42 0.00 0.00 0.00 175.76 176.78 1u1g s ILE 23 N 0.25 5.20 -0.55 0.00 1.01 0.18 -1.38 121.20 125.91 1u1g s ILE 23 Ca -0.04 0.91 0.04 0.00 0.00 0.00 0.00 60.65 61.56 1u1g s ILE 23 Cb -0.09 -3.80 0.15 0.00 0.01 0.00 0.00 42.46 38.73 1u1g s ILE 23 CO 0.01 0.33 0.33 0.68 0.00 0.00 0.00 174.94 176.28 1u1g s VAL 24 N 0.64 2.24 0.87 2.92 -7.23 0.26 -1.66 120.40 118.45 1u1g s VAL 24 Ca 0.25 -3.38 -0.13 0.00 -1.81 0.00 0.00 61.98 56.91 1u1g s VAL 24 Cb -0.15 -2.53 0.12 0.00 0.56 0.00 0.00 36.38 34.38 1u1g s VAL 24 CO 0.10 -0.91 1.19 -2.16 -0.31 0.00 0.00 175.10 173.00 1u1g s PRO 25 N -0.47 1.49 -0.13 4.82 0.04 -1.24 -3.81 135.00 135.71 1u1g s PRO 25 Ca 0.21 0.08 -0.07 0.00 0.04 0.00 0.00 61.00 61.25 1u1g s PRO 25 Cb -0.17 -1.90 -0.26 0.00 0.04 0.00 0.00 34.50 32.21 1u1g s PRO 25 CO -0.06 -1.92 0.34 0.41 0.04 0.00 0.00 177.00 175.82 1u1g n GLY 26 N -3.05 -0.56 3.65 0.56 0.00 -1.26 -1.29 105.19 103.24 1u1g n GLY 26 Ca 0.09 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1u1g n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u1g s ASP 27 N -7.03 6.84 0.41 1.61 -1.08 -1.26 -1.65 116.67 114.52 1u1g s ASP 27 Ca -0.23 1.04 0.12 0.00 -0.52 0.00 0.00 52.55 52.95 1u1g s ASP 27 Cb 0.07 -2.43 0.95 0.00 -1.46 0.00 0.00 42.92 40.05 1u1g s ASP 27 CO 0.76 -0.47 1.96 -0.65 0.52 0.00 0.00 175.17 177.29 1u1g h PRO 28 N 7.61 0.49 0.00 4.34 0.11 -1.90 -2.17 132.00 140.47 1u1g h PRO 28 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1u1g h PRO 28 Cb 1.10 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1u1g h PRO 28 CO 0.86 0.33 0.00 -0.25 -0.21 0.00 0.00 178.00 178.72 1u1g n ASP 29 N -4.48 0.00 -0.41 -2.05 9.92 -1.26 -2.91 116.55 115.36 1u1g n ASP 29 Ca 0.11 0.10 0.09 0.00 -0.53 0.00 0.00 54.79 54.56 1u1g n ASP 29 Cb 0.35 -0.33 -0.01 0.00 -0.64 0.00 0.00 41.12 40.49 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 -1.33 1.45 -0.10 -1.24 1.74 -0.82 -4.56 116.66 111.81 1u1g n ARG 30 Ca 0.09 -0.86 -0.10 0.00 -0.77 0.00 0.00 57.85 56.20 1u1g n ARG 30 Cb 0.18 -1.37 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 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 2.02 1.21 -0.79 1.55 2.07 -1.60 -3.01 116.25 117.69 1u1g h VAL 31 Ca 0.00 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1u1g h VAL 31 Cb 0.64 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1u1g h VAL 31 CO 0.00 0.23 0.40 -0.08 0.02 0.00 0.00 177.57 178.14 1u1g h GLU 32 N 0.35 1.12 -0.79 1.57 4.81 -1.80 -2.36 114.58 117.48 1u1g h GLU 32 Ca 0.10 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1u1g h GLU 32 Cb 0.26 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1u1g h GLU 32 CO -0.00 0.85 0.35 0.87 -0.73 0.00 0.00 179.01 180.35 1u1g h LYS 33 N 1.12 1.15 -0.14 1.92 1.57 -1.81 -0.96 116.57 119.42 1u1g h LYS 33 Ca 0.28 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1u1g h LYS 33 Cb 0.08 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1u1g h LYS 33 CO -0.04 0.90 -0.22 0.82 -0.57 0.00 0.00 179.45 180.34 1u1g h ILE 34 N 1.13 1.36 0.00 1.86 2.04 -1.40 -3.23 117.51 119.28 1u1g h ILE 34 Ca 0.27 -1.46 -0.03 0.00 1.00 0.00 0.00 64.86 64.63 1u1g h ILE 34 Cb 0.16 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1u1g h ILE 34 CO -0.03 0.43 -0.16 0.00 0.00 0.00 0.00 178.15 178.39 1u1g h ALA 35 N 0.57 1.46 0.00 1.87 0.00 -1.25 -2.44 119.26 119.47 1u1g h ALA 35 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1u1g h ALA 35 Cb 0.80 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1u1g h ALA 35 CO 0.05 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1u1g h ALA 36 N 1.84 1.00 0.00 0.00 0.00 -1.19 -2.64 119.26 118.27 1u1g h ALA 36 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u1g h ALA 36 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1u1g h ALA 36 CO 0.02 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.20 1u1g h LEU 37 N 0.00 0.00 0.00 0.00 -0.00 -1.52 -3.46 115.31 110.33 1u1g h LEU 37 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.88 57.37 1u1g h LEU 37 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.14 1u1g h LEU 37 CO 0.00 0.00 -0.19 0.23 -0.00 0.00 0.00 178.44 178.48 1u1g n MET 38 N -2.73 0.70 -3.27 1.13 2.81 -0.99 -5.12 117.12 109.65 1u1g n MET 38 Ca 0.03 -3.10 -0.34 0.00 -1.81 0.00 0.00 57.70 52.48 1u1g n MET 38 Cb 0.38 0.16 -0.06 0.00 -0.71 0.00 0.00 33.22 32.99 1u1g n MET 38 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1u1g s ASP 39 N -4.11 6.80 -1.05 7.83 1.01 -0.47 -4.53 116.67 122.15 1u1g s ASP 39 Ca 0.38 1.15 -0.18 0.00 0.71 0.00 0.00 52.55 54.61 1u1g s ASP 39 Cb -0.03 -2.32 0.01 0.00 1.01 0.00 0.00 42.92 41.59 1u1g s ASP 39 CO 0.24 -0.03 0.71 0.29 0.21 0.00 0.00 175.17 176.59 1u1g n LYS 40 N 0.25 -1.02 -2.55 8.23 5.02 -1.26 0.25 118.16 127.06 1u1g n LYS 40 Ca -0.01 0.52 -0.40 0.00 -2.02 0.00 0.00 58.31 56.40 1u1g n LYS 40 Cb 0.52 -3.40 -0.05 0.00 -0.02 0.00 0.00 35.03 32.09 1u1g n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u1g s PRO 41 N -5.87 4.65 -0.15 1.97 0.04 -1.26 -4.35 135.00 130.04 1u1g s PRO 41 Ca 0.33 1.69 -0.14 0.00 0.04 0.00 0.00 61.00 62.93 1u1g s PRO 41 Cb -0.14 -3.15 0.04 0.00 0.04 0.00 0.00 34.50 31.28 1u1g s PRO 41 CO 0.89 0.26 0.39 0.54 0.04 0.00 0.00 177.00 179.12 1u1g s VAL 42 N -1.22 0.00 0.30 -0.36 0.11 -0.22 -5.01 120.40 114.00 1u1g s VAL 42 Ca 0.45 -0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.22 1u1g s VAL 42 Cb -0.29 -0.55 -0.09 0.00 -1.53 0.00 0.00 36.38 33.91 1u1g s VAL 42 CO 0.37 -0.00 1.02 -0.75 -3.33 0.00 0.00 175.10 172.42 1u1g s LYS 43 N 0.20 4.60 -0.09 1.54 2.20 -1.26 -0.71 119.74 126.21 1u1g s LYS 43 Ca -0.00 1.59 -0.06 0.00 -0.36 0.00 0.00 55.97 57.14 1u1g s LYS 43 Cb -0.03 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 1u1g s LYS 43 CO 0.01 0.23 -0.15 1.28 -0.36 0.00 0.00 175.35 176.36 1u1g n LEU 44 N 0.93 0.97 -3.45 5.43 4.77 -0.57 -4.88 117.00 120.20 1u1g n LEU 44 Ca 0.00 0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1u1g n LEU 44 Cb 0.47 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1u1g n LEU 44 CO 0.50 0.05 0.45 0.00 -1.33 0.00 0.00 177.39 177.05 1u1g s ALA 45 N -2.25 -1.66 -0.22 -1.18 0.00 -1.14 -5.02 121.76 110.29 1u1g s ALA 45 Ca -0.15 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 1u1g s ALA 45 Cb 0.05 0.68 0.11 0.00 0.00 0.00 0.00 23.12 23.96 1u1g s ALA 45 CO 0.20 -0.70 0.28 0.45 0.00 0.00 0.00 175.76 175.99 1u1g s SER 46 N -2.47 0.92 -0.04 0.00 0.15 -1.26 -1.06 113.70 109.94 1u1g s SER 46 Ca -0.00 -0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.61 1u1g s SER 46 Cb -0.01 0.67 0.03 0.00 -1.71 0.00 0.00 66.02 65.00 1u1g s SER 46 CO -0.09 -0.31 0.03 -1.00 1.20 0.00 0.00 173.24 173.06 1u1g s HIS 47 N 2.41 0.25 0.00 3.44 3.76 -0.27 -5.00 115.29 119.88 1u1g s HIS 47 Ca 0.09 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 1u1g s HIS 47 Cb -0.16 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.04 1u1g s HIS 47 CO -0.13 -0.19 0.00 0.54 -0.85 0.00 0.00 174.74 174.11 1u1g n ARG 48 N 4.78 0.00 -0.01 1.40 5.12 -1.26 -1.06 116.66 125.62 1u1g n ARG 48 Ca -0.14 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 55.90 1u1g n ARG 48 Cb 0.50 0.00 0.63 0.00 -1.16 0.00 0.00 32.46 32.43 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 1.19 -3.48 5.56 0.00 -1.26 -4.76 120.64 131.89 1u1g n GLU 49 Ca 0.00 -0.28 -0.43 0.00 0.00 0.00 0.00 57.16 56.45 1u1g n GLU 49 Cb 0.00 -1.39 -0.08 0.00 0.00 0.00 0.00 31.44 29.97 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 -1.97 3.29 -0.15 -1.84 0.40 -0.23 -4.16 117.98 113.33 1u1g s PHE 50 Ca 0.35 -1.25 -0.01 0.00 -0.60 0.00 0.00 56.93 55.42 1u1g s PHE 50 Cb 0.17 -3.15 -0.02 0.00 0.51 0.00 0.00 43.02 40.54 1u1g s PHE 50 CO 0.28 -0.84 -0.10 0.99 0.70 0.00 0.00 175.22 176.24 1u1g s THR 51 N 1.54 3.22 -0.08 0.64 2.01 -1.26 -1.11 115.64 120.59 1u1g s THR 51 Ca 0.04 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.49 1u1g s THR 51 Cb -0.24 -2.38 -0.00 0.00 0.01 0.00 0.00 72.50 69.88 1u1g s THR 51 CO 0.04 0.50 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.36 1u1g s THR 52 N 0.54 1.88 0.13 -0.82 2.01 -0.22 -1.83 115.64 117.33 1u1g s THR 52 Ca -0.07 -0.94 0.08 0.00 0.31 0.00 0.00 61.69 61.08 1u1g s THR 52 Cb -0.15 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 1u1g s THR 52 CO 0.03 0.52 -0.19 0.26 -0.69 0.00 0.00 174.62 174.56 1u1g s TRP 53 N 0.23 1.75 0.05 4.92 0.52 0.18 -1.52 118.94 125.06 1u1g s TRP 53 Ca -0.13 -0.45 0.08 0.00 0.02 0.00 0.00 56.10 55.61 1u1g s TRP 53 Cb -0.16 -0.92 -0.03 0.00 -1.15 0.00 0.00 33.47 31.21 1u1g s TRP 53 CO 0.06 0.24 -0.19 0.50 0.02 0.00 0.00 176.95 177.58 1u1g s ARG 54 N -2.30 2.00 0.32 4.98 3.52 0.11 -1.02 118.95 126.56 1u1g s ARG 54 Ca 0.10 -1.02 0.00 0.00 -0.13 0.00 0.00 55.73 54.68 1u1g s ARG 54 Cb -0.08 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.16 1u1g s ARG 54 CO 0.05 0.53 0.41 0.00 -0.81 0.00 0.00 175.30 175.48 1u1g n ALA 55 N 1.52 -0.10 -2.73 6.12 0.00 -0.23 -1.06 120.51 124.02 1u1g n ALA 55 Ca -0.16 -1.55 -0.25 0.00 0.00 0.00 0.00 53.44 51.48 1u1g n ALA 55 Cb 0.52 1.25 -0.16 0.00 0.00 0.00 0.00 19.45 21.07 1u1g n ALA 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1u1g s GLU 56 N -2.84 1.49 -0.18 0.00 2.12 0.14 -0.68 118.70 118.74 1u1g s GLU 56 Ca 0.29 -0.57 -0.03 0.00 0.36 0.00 0.00 54.97 55.02 1u1g s GLU 56 Cb -0.00 -1.36 0.06 0.00 0.26 0.00 0.00 34.13 33.08 1u1g s GLU 56 CO 0.21 0.28 0.03 -1.17 -0.54 0.00 0.00 175.26 174.07 1u1g s LEU 57 N -0.15 1.16 -1.49 2.70 2.96 0.58 -1.37 118.68 123.07 1u1g s LEU 57 Ca 0.01 -0.75 -0.12 0.00 -0.22 0.00 0.00 54.13 53.05 1u1g s LEU 57 Cb -0.09 -0.60 0.07 0.00 0.50 0.00 0.00 46.19 46.08 1u1g s LEU 57 CO 0.01 -0.29 0.87 0.47 -1.32 0.00 0.00 176.35 176.08 1u1g n ASP 58 N 5.05 -4.88 -0.06 3.68 10.43 -1.26 -1.63 116.55 127.88 1u1g n ASP 58 Ca -0.09 -0.64 -0.01 0.00 2.57 0.00 0.00 54.79 56.62 1u1g n ASP 58 Cb 0.47 -3.92 -0.00 0.00 1.84 0.00 0.00 41.12 39.51 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 -1.60 0.47 3.12 0.44 0.00 -1.26 -5.04 105.19 101.32 1u1g n GLY 59 Ca 0.02 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.52 2.23 0.27 1.61 1.02 -0.64 -5.12 119.74 117.60 1u1g s LYS 60 Ca 0.00 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 55.06 1u1g s LYS 60 Cb 0.00 -1.78 -0.10 0.00 -0.52 0.00 0.00 37.83 35.43 1u1g s LYS 60 CO 0.00 0.13 1.41 -1.25 -0.92 0.00 0.00 175.35 174.72 1u1g s PRO 61 N 0.41 4.28 0.02 -1.68 0.04 -1.26 -0.31 135.00 136.50 1u1g s PRO 61 Ca -0.14 2.29 0.02 0.00 0.04 0.00 0.00 61.00 63.22 1u1g s PRO 61 Cb -0.16 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.27 1u1g s PRO 61 CO 0.05 -0.37 -0.08 0.08 0.04 0.00 0.00 177.00 176.72 1u1g s VAL 62 N -0.31 0.58 -0.06 -0.36 1.01 0.14 -4.46 120.40 116.95 1u1g s VAL 62 Ca 0.57 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1u1g s VAL 62 Cb -0.42 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1u1g s VAL 62 CO 0.46 -0.06 0.05 -0.63 0.00 0.00 0.00 175.10 174.92 1u1g s ILE 63 N -0.66 4.62 -0.14 2.22 -1.09 -0.86 -1.07 121.20 124.22 1u1g s ILE 63 Ca -0.02 -0.26 0.02 0.00 -2.23 0.00 0.00 60.65 58.16 1u1g s ILE 63 Cb -0.06 -3.02 0.02 0.00 -1.58 0.00 0.00 42.46 37.82 1u1g s ILE 63 CO 0.00 0.51 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.35 1u1g s VAL 64 N -1.02 1.77 -0.07 2.92 1.01 -0.19 -0.65 120.40 124.16 1u1g s VAL 64 Ca 0.17 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 1u1g s VAL 64 Cb -0.12 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.71 1u1g s VAL 64 CO 0.07 0.49 0.15 0.00 0.00 0.00 0.00 175.10 175.81 1u1g s SER 66 N 1.85 7.21 -0.05 0.00 1.04 -0.76 -3.60 113.70 119.40 1u1g s SER 66 Ca -0.02 1.97 0.16 0.00 0.48 0.00 0.00 55.95 58.54 1u1g s SER 66 Cb -0.12 -2.59 -0.25 0.00 0.10 0.00 0.00 66.02 63.16 1u1g s SER 66 CO -0.06 -0.16 0.31 0.35 0.98 0.00 0.00 173.24 174.66 1u1g n THR 67 N 0.59 0.20 -0.09 2.02 -2.24 -0.41 -4.31 114.28 110.04 1u1g n THR 67 Ca 0.02 -0.44 0.01 0.00 -2.27 0.00 0.00 64.05 61.37 1u1g n THR 67 Cb 0.49 -0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 1.63 -1.39 3.71 3.38 0.00 -0.66 -3.62 105.19 108.24 1u1g n GLY 68 Ca -0.07 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.20 4.93 0.00 -0.61 1.01 -1.26 -4.74 121.20 119.33 1u1g s ILE 69 Ca 0.00 1.83 0.00 0.00 0.00 0.00 0.00 60.65 62.48 1u1g s ILE 69 Cb 0.00 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1u1g s ILE 69 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1u1g n GLY 70 N 2.99 2.42 0.26 6.18 0.00 -1.26 -4.69 105.19 111.09 1u1g n GLY 70 Ca 0.04 -1.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.17 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 0.95 0.44 -0.02 0.00 -1.88 -2.82 103.07 99.74 1u1g h GLY 71 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.07 1u1g h GLY 71 CO 0.00 0.24 -0.21 -2.55 0.00 0.00 0.00 176.54 174.02 1u1g h PRO 72 N 0.77 -0.29 -0.00 4.80 0.11 -1.95 0.17 132.00 135.62 1u1g h PRO 72 Ca 0.27 0.02 -0.13 0.00 0.11 0.00 0.00 66.00 66.27 1u1g h PRO 72 Cb 0.05 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.21 1u1g h PRO 72 CO -0.12 -0.19 -0.62 0.66 -0.21 0.00 0.00 178.00 177.52 1u1g h SER 73 N -0.30 0.00 -0.66 -2.05 4.64 -1.82 -2.84 113.55 110.52 1u1g h SER 73 Ca 0.08 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 1u1g h SER 73 Cb 0.41 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.47 1u1g h SER 73 CO -0.23 0.62 0.38 0.74 -0.87 0.00 0.00 176.83 177.47 1u1g h THR 74 N 0.00 1.20 -0.27 2.95 2.02 -1.25 -2.35 112.91 115.22 1u1g h THR 74 Ca -0.01 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 1u1g h THR 74 Cb 1.10 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1u1g h THR 74 CO 0.08 0.21 -0.07 0.77 0.37 0.00 0.00 175.52 176.89 1u1g h SER 75 N 0.90 0.40 0.06 4.18 4.64 -0.44 -1.36 113.55 121.94 1u1g h SER 75 Ca 0.23 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1u1g h SER 75 Cb 0.01 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1u1g h SER 75 CO -0.04 0.52 -0.03 0.40 -0.87 0.00 0.00 176.83 176.81 1u1g h ILE 76 N 0.41 1.15 -0.37 0.95 2.04 -1.35 -2.73 117.51 117.61 1u1g h ILE 76 Ca 0.08 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1u1g h ILE 76 Cb 0.38 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1u1g h ILE 76 CO 0.02 0.19 0.23 0.00 0.00 0.00 0.00 178.15 178.59 1u1g h ALA 77 N 0.47 0.47 -0.42 1.87 0.00 -1.19 -2.13 119.26 118.34 1u1g h ALA 77 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1u1g h ALA 77 Cb 0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1u1g h ALA 77 CO 0.01 -0.05 0.14 0.28 0.00 0.00 0.00 179.25 179.64 1u1g h VAL 78 N 0.49 1.21 -0.23 0.00 2.07 -1.35 -1.43 116.25 117.01 1u1g h VAL 78 Ca 0.13 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1u1g h VAL 78 Cb -0.02 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1u1g h VAL 78 CO -0.03 0.25 0.15 -0.08 0.02 0.00 0.00 177.57 177.88 1u1g h GLU 79 N 0.54 0.31 -0.05 1.57 4.57 -1.37 -0.96 114.58 119.19 1u1g h GLU 79 Ca 0.14 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.16 1u1g h GLU 79 Cb 0.24 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1u1g h GLU 79 CO -0.01 0.22 -0.59 0.93 -1.18 0.00 0.00 179.01 178.38 1u1g h GLU 80 N 0.30 0.17 -0.40 1.92 5.08 -1.32 -1.63 114.58 118.70 1u1g h GLU 80 Ca 0.08 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1u1g h GLU 80 Cb -0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1u1g h GLU 80 CO -0.02 0.72 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.40 1u1g h LEU 81 N 0.13 0.84 -0.69 1.33 3.38 -1.16 -2.68 115.31 116.46 1u1g h LEU 81 Ca -0.01 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.60 1u1g h LEU 81 Cb 1.08 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1u1g h LEU 81 CO 0.09 1.04 0.25 0.00 0.09 0.00 0.00 178.44 179.91 1u1g h ALA 82 N 1.01 0.90 -0.46 1.53 0.00 -0.90 -1.55 119.26 119.80 1u1g h ALA 82 Ca 0.09 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1u1g h ALA 82 Cb 0.77 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1u1g h ALA 82 CO 0.06 0.55 0.31 1.96 0.00 0.00 0.00 179.25 182.13 1u1g h GLN 83 N 1.00 0.44 -0.01 0.00 4.20 -1.22 -2.06 115.11 117.46 1u1g h GLN 83 Ca 0.23 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1u1g h GLN 83 Cb 0.25 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1u1g h GLN 83 CO -0.01 0.29 -0.10 1.28 -0.67 0.00 0.00 178.83 179.61 1u1g n LEU 84 N -4.48 0.75 0.00 1.46 4.77 -0.81 -4.92 117.00 113.77 1u1g n LEU 84 Ca 0.05 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1u1g n LEU 84 Cb 0.19 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1u1g n LEU 84 CO 0.35 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1u1g n GLY 85 N 1.24 0.96 3.73 -0.72 0.00 -0.77 -4.87 105.19 104.75 1u1g n GLY 85 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 3.79 0.00 -0.61 -1.09 -0.65 -4.50 121.20 116.14 1u1g s ILE 86 Ca 0.00 1.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.84 1u1g s ILE 86 Cb 0.00 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1u1g s ILE 86 CO 0.00 0.19 0.00 0.54 -1.23 0.00 0.00 174.94 174.44 1u1g n ARG 87 N 3.02 2.56 -4.49 2.79 5.12 -0.18 -4.28 116.66 121.19 1u1g n ARG 87 Ca 0.06 0.00 -0.28 0.00 -1.93 0.00 0.00 57.85 55.70 1u1g n ARG 87 Cb 0.45 -0.77 -0.17 0.00 -1.16 0.00 0.00 32.46 30.81 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 -1.48 1.48 -0.15 0.55 2.01 -0.73 -1.47 115.64 115.85 1u1g s THR 88 Ca 0.00 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.38 1u1g s THR 88 Cb 0.00 -1.35 0.02 0.00 0.01 0.00 0.00 72.50 71.18 1u1g s THR 88 CO 0.00 0.44 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.81 1u1g s PHE 89 N 0.94 2.58 -0.25 4.92 0.40 0.21 -1.08 117.98 125.71 1u1g s PHE 89 Ca -0.08 -1.40 -0.01 0.00 -0.60 0.00 0.00 56.93 54.85 1u1g s PHE 89 Cb -0.15 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.62 1u1g s PHE 89 CO -0.01 -0.67 -0.07 -0.51 0.70 0.00 0.00 175.22 174.66 1u1g s LEU 90 N 1.08 3.20 -0.02 -0.37 1.43 -0.48 -1.60 118.68 121.92 1u1g s LEU 90 Ca -0.01 -0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 51.99 1u1g s LEU 90 Cb -0.14 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 1u1g s LEU 90 CO -0.07 -0.14 0.44 -0.60 0.23 0.00 0.00 176.35 176.21 1u1g s ARG 91 N 1.30 4.05 -0.01 1.70 3.52 -0.59 -0.57 118.95 128.35 1u1g s ARG 91 Ca -0.01 0.44 0.04 0.00 -0.13 0.00 0.00 55.73 56.08 1u1g s ARG 91 Cb -0.17 -3.28 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 1u1g s ARG 91 CO -0.05 0.56 -0.13 -1.50 -0.81 0.00 0.00 175.30 173.36 1u1g s ILE 92 N -0.66 1.06 0.16 4.11 2.07 -1.25 -1.74 121.20 124.95 1u1g s ILE 92 Ca 0.24 -0.57 -0.09 0.00 -1.41 0.00 0.00 60.65 58.83 1u1g s ILE 92 Cb -0.17 -0.89 0.03 0.00 0.13 0.00 0.00 42.46 41.57 1u1g s ILE 92 CO 0.13 0.30 0.44 0.61 -1.91 0.00 0.00 174.94 174.51 1u1g n GLY 93 N 2.76 1.31 3.97 1.50 0.00 -1.06 -4.19 105.19 109.47 1u1g n GLY 93 Ca -0.14 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.47 4.92 0.08 2.61 -4.23 -1.26 -2.02 115.64 113.26 1u1g s THR 94 Ca 0.09 -0.95 -0.21 0.00 -1.18 0.00 0.00 61.69 59.44 1u1g s THR 94 Cb -0.02 -3.73 0.05 0.00 1.34 0.00 0.00 72.50 70.13 1u1g s THR 94 CO 0.05 -0.30 0.49 0.28 -0.54 0.00 0.00 174.62 174.61 1u1g s THR 95 N -2.06 0.04 -0.22 3.99 -1.32 -1.04 -4.85 115.64 110.18 1u1g s THR 95 Ca 0.38 -0.31 -0.05 0.00 -1.21 0.00 0.00 61.69 60.50 1u1g s THR 95 Cb -0.09 -1.02 -0.02 0.00 -1.51 0.00 0.00 72.50 69.86 1u1g s THR 95 CO 0.30 -0.17 0.01 -0.83 -2.21 0.00 0.00 174.62 171.72 1u1g s GLY 96 N -2.24 1.69 0.37 6.08 0.00 -1.21 -2.09 107.32 109.93 1u1g s GLY 96 Ca -0.03 -1.10 -0.22 0.00 0.00 0.00 0.00 44.72 43.37 1u1g s GLY 96 CO -0.05 0.40 0.92 0.00 0.00 0.00 0.00 173.10 174.37 1u1g s ALA 97 N 1.37 3.14 -0.25 3.20 0.00 -0.11 -1.71 121.76 127.39 1u1g s ALA 97 Ca 0.05 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.44 1u1g s ALA 97 Cb -0.15 -3.12 0.03 0.00 0.00 0.00 0.00 23.12 19.88 1u1g s ALA 97 CO 0.01 0.17 0.69 0.44 0.00 0.00 0.00 175.76 177.07 1u1g n ILE 98 N -0.11 0.26 -4.11 0.00 -5.35 -0.19 -0.93 119.36 108.93 1u1g n ILE 98 Ca 0.04 -0.63 -0.35 0.00 -0.27 0.00 0.00 62.75 61.54 1u1g n ILE 98 Cb 0.52 0.90 -0.09 0.00 -1.74 0.00 0.00 39.64 39.24 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 -0.40 3.45 0.44 6.28 -1.52 -1.24 -4.81 119.66 121.85 1u1g s GLN 99 Ca 0.03 -0.31 0.11 0.00 -1.95 0.00 0.00 55.36 53.24 1u1g s GLN 99 Cb 0.02 -3.05 0.96 0.00 -0.22 0.00 0.00 33.01 30.73 1u1g s GLN 99 CO 0.03 0.58 2.03 -1.35 -0.25 0.00 0.00 175.29 176.33 1u1g h PRO 100 N 5.62 0.23 0.00 2.91 0.11 -1.96 -2.82 132.00 136.09 1u1g h PRO 100 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1u1g h PRO 100 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1u1g h PRO 100 CO 0.61 0.25 -0.03 -2.39 -0.21 0.00 0.00 178.00 176.22 1u1g n HIS 101 N -4.41 0.96 -3.01 0.65 1.44 -1.26 -4.72 115.22 104.87 1u1g n HIS 101 Ca -0.00 0.28 -0.41 0.00 -2.01 0.00 0.00 57.72 55.57 1u1g n HIS 101 Cb 0.16 -0.95 -0.05 0.00 0.12 0.00 0.00 29.99 29.27 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 -3.11 4.93 0.25 0.61 1.01 -1.07 -5.06 121.20 118.77 1u1g s ILE 102 Ca 0.10 1.36 0.06 0.00 0.00 0.00 0.00 60.65 62.17 1u1g s ILE 102 Cb 0.12 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1u1g s ILE 102 CO 0.61 0.01 0.33 0.20 0.00 0.00 0.00 174.94 176.09 1u1g s ASN 103 N 1.32 6.09 0.23 3.58 0.01 -1.26 -4.86 114.94 120.05 1u1g s ASN 103 Ca 0.31 -0.03 -0.31 0.00 -0.71 0.00 0.00 52.86 52.12 1u1g s ASN 103 Cb -0.16 -1.69 -0.11 0.00 0.41 0.00 0.00 41.25 39.70 1u1g s ASN 103 CO 0.09 -0.10 1.65 -0.69 -1.51 0.00 0.00 177.10 176.55 1u1g s VAL 104 N -2.04 2.15 0.00 1.60 1.01 -1.26 -2.19 120.40 119.67 1u1g s VAL 104 Ca 0.35 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1u1g s VAL 104 Cb -0.09 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1u1g s VAL 104 CO 0.28 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1u1g n GLY 105 N 3.34 1.64 3.78 4.51 0.00 -0.19 -5.02 105.19 113.25 1u1g n GLY 105 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.61 5.20 -0.11 1.61 1.11 -0.93 -4.76 116.67 117.17 1u1g s ASP 106 Ca 0.00 1.93 -0.01 0.00 0.18 0.00 0.00 52.55 54.64 1u1g s ASP 106 Cb 0.00 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.42 1u1g s ASP 106 CO 0.00 -1.57 -0.06 -0.69 1.18 0.00 0.00 175.17 174.04 1u1g s VAL 107 N -2.45 3.77 -0.09 -1.27 1.01 -0.13 -1.56 120.40 119.68 1u1g s VAL 107 Ca 0.65 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.24 1u1g s VAL 107 Cb -0.19 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1u1g s VAL 107 CO 0.43 0.55 -0.22 -0.76 0.00 0.00 0.00 175.10 175.10 1u1g s LEU 108 N -0.23 2.24 -0.18 3.92 1.43 -0.23 -1.48 118.68 124.15 1u1g s LEU 108 Ca 0.03 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1u1g s LEU 108 Cb -0.13 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 1u1g s LEU 108 CO 0.02 0.20 -0.06 -0.69 0.23 0.00 0.00 176.35 176.06 1u1g s VAL 109 N 0.09 3.48 -0.21 -1.59 1.01 -0.60 -1.48 120.40 121.09 1u1g s VAL 109 Ca -0.10 -0.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1u1g s VAL 109 Cb -0.16 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1u1g s VAL 109 CO 0.06 0.47 0.50 -0.89 0.00 0.00 0.00 175.10 175.24 1u1g s THR 110 N 0.83 5.11 0.00 3.92 2.01 -0.95 -2.45 115.64 124.12 1u1g s THR 110 Ca -0.02 0.90 -0.09 0.00 0.31 0.00 0.00 61.69 62.80 1u1g s THR 110 Cb -0.15 -3.82 -0.31 0.00 0.01 0.00 0.00 72.50 68.23 1u1g s THR 110 CO 0.01 0.17 0.88 0.71 -0.69 0.00 0.00 174.62 175.69 1u1g h THR 111 N 5.17 1.17 -2.56 -0.82 1.35 -1.64 -3.41 112.91 112.17 1u1g h THR 111 Ca -0.33 -2.72 0.07 0.00 -0.55 0.00 0.00 66.41 62.87 1u1g h THR 111 Cb 1.15 2.86 -0.13 0.00 -1.73 0.00 0.00 68.15 70.30 1u1g h THR 111 CO 0.73 0.84 0.39 0.00 -0.25 0.00 0.00 175.52 177.22 1u1g s ALA 112 N -2.61 -1.72 0.06 6.62 0.00 -1.26 -1.08 121.76 121.78 1u1g s ALA 112 Ca -0.10 0.75 0.09 0.00 0.00 0.00 0.00 51.96 52.70 1u1g s ALA 112 Cb 0.06 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 1u1g s ALA 112 CO 0.88 -0.74 -0.25 -1.12 0.00 0.00 0.00 175.76 174.53 1u1g s SER 113 N -2.61 3.04 -0.06 0.00 0.01 -0.52 -2.24 113.70 111.32 1u1g s SER 113 Ca 0.04 -0.61 -0.30 0.00 1.31 0.00 0.00 55.95 56.40 1u1g s SER 113 Cb -0.01 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 1u1g s SER 113 CO -0.09 0.22 1.22 -0.69 0.41 0.00 0.00 173.24 174.31 1u1g s VAL 114 N -0.86 4.21 -1.09 3.43 1.01 0.67 -4.40 120.40 123.37 1u1g s VAL 114 Ca 0.11 1.54 -0.18 0.00 0.00 0.00 0.00 61.98 63.45 1u1g s VAL 114 Cb -0.10 -3.99 0.11 0.00 0.00 0.00 0.00 36.38 32.41 1u1g s VAL 114 CO 0.03 -0.01 1.39 -0.13 0.00 0.00 0.00 175.10 176.38 1u1g s ARG 115 N 2.32 3.81 -0.49 2.72 0.52 -1.26 -2.10 118.95 124.47 1u1g s ARG 115 Ca 0.56 -1.91 0.03 0.00 -0.52 0.00 0.00 55.73 53.89 1u1g s ARG 115 Cb -0.25 -5.16 0.57 0.00 0.52 0.00 0.00 34.95 30.63 1u1g s ARG 115 CO 0.22 -1.95 1.87 1.28 0.02 0.00 0.00 175.30 176.74 1u1g n LEU 116 N 7.10 6.66 -4.67 2.53 4.77 -0.65 -4.97 117.00 127.77 1u1g n LEU 116 Ca 0.34 -3.89 -0.30 0.00 -0.03 0.00 0.00 56.01 52.13 1u1g n LEU 116 Cb 0.47 -0.84 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 1u1g n LEU 116 CO 0.62 1.25 -0.27 1.51 -1.33 0.00 0.00 177.39 179.17 1u1g s ASP 117 N -1.71 3.83 -0.20 -1.43 -4.77 -1.23 -2.01 116.67 109.15 1u1g s ASP 117 Ca 0.58 -1.51 0.05 0.00 -3.30 0.00 0.00 52.55 48.37 1u1g s ASP 117 Cb 0.48 0.08 -0.16 0.00 -1.09 0.00 0.00 42.92 42.23 1u1g s ASP 117 CO 0.06 -0.66 -0.13 0.61 0.70 0.00 0.00 175.17 175.75 1u1g n GLY 118 N -1.08 -0.44 0.28 2.12 0.00 -1.26 -4.69 105.19 100.12 1u1g n GLY 118 Ca -0.11 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 0.22 1.52 -0.38 4.61 0.00 -1.98 -2.70 119.26 120.55 1u1g h ALA 119 Ca -0.47 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1u1g h ALA 119 Cb 1.82 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1u1g h ALA 119 CO -0.05 0.36 0.23 0.66 0.00 0.00 0.00 179.25 180.45 1u1g h SER 120 N 0.46 0.44 0.45 0.00 4.64 -1.86 -1.42 113.55 116.26 1u1g h SER 120 Ca 0.11 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1u1g h SER 120 Cb 0.20 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1u1g h SER 120 CO -0.00 0.34 0.00 -0.07 -0.87 0.00 0.00 176.83 176.23 1u1g h LEU 121 N 0.52 0.00 -0.19 5.97 3.38 -1.59 -1.96 115.31 121.44 1u1g h LEU 121 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1u1g h LEU 121 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1u1g h LEU 121 CO -0.03 0.00 -0.06 1.41 0.09 0.00 0.00 178.44 179.85 1u1g n HIS 122 N -2.60 0.00 0.00 1.13 8.25 -0.53 -3.98 115.22 117.49 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 0.16 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 -0.96 0.00 -3.66 4.41 3.01 -0.81 -5.09 117.46 114.36 1u1g n PHE 123 Ca 0.16 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.48 1u1g n PHE 123 Cb 0.24 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.64 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 -1.98 -1.27 0.84 4.37 0.00 -0.80 -5.02 121.76 117.90 1u1g s ALA 124 Ca 0.00 1.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.88 1u1g s ALA 124 Cb 0.00 -0.25 0.10 0.00 0.00 0.00 0.00 23.12 22.97 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 -0.76 1.59 0.49 0.00 0.04 -1.26 -3.91 135.00 131.20 1u1g s PRO 125 Ca -0.08 1.42 0.22 0.00 0.04 0.00 0.00 61.00 62.59 1u1g s PRO 125 Cb -0.03 -1.80 1.27 0.00 0.04 0.00 0.00 34.50 33.98 1u1g s PRO 125 CO 0.05 -2.18 1.97 1.25 0.04 0.00 0.00 177.00 178.13 1u1g h LEU 126 N -1.46 0.14 -2.11 -3.56 5.85 -1.94 -1.40 115.31 110.84 1u1g h LEU 126 Ca -0.44 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1u1g h LEU 126 Cb 1.26 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1u1g h LEU 126 CO 0.46 0.08 0.00 1.05 -0.34 0.00 0.00 178.44 179.68 1u1g h GLU 127 N 0.15 0.00 -6.56 1.25 9.09 -2.03 -3.43 114.58 113.06 1u1g h GLU 127 Ca 0.29 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.17 1u1g h GLU 127 Cb 0.93 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.04 1u1g h GLU 127 CO -0.04 0.00 0.57 0.12 0.05 0.00 0.00 179.01 179.70 1u1g s PHE 128 N -3.87 3.43 0.12 2.06 2.19 -0.53 -5.00 117.98 116.39 1u1g s PHE 128 Ca -0.02 1.33 -0.30 0.00 0.33 0.00 0.00 56.93 58.27 1u1g s PHE 128 Cb 0.11 -3.43 -0.07 0.00 -1.31 0.00 0.00 43.02 38.32 1u1g s PHE 128 CO 0.48 -1.30 1.14 -1.25 1.83 0.00 0.00 175.22 176.11 1u1g s PRO 129 N 0.57 4.52 -1.44 10.12 0.04 -1.26 -4.95 135.00 142.60 1u1g s PRO 129 Ca 0.57 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 63.21 1u1g s PRO 129 Cb -0.31 -3.31 0.06 0.00 0.04 0.00 0.00 34.50 30.97 1u1g s PRO 129 CO 0.32 -0.07 2.20 0.00 0.04 0.00 0.00 177.00 179.49 1u1g n ALA 130 N 3.05 5.60 -2.87 8.56 0.00 -1.26 -4.79 120.51 128.80 1u1g n ALA 130 Ca 0.05 -3.94 -0.36 0.00 0.00 0.00 0.00 53.44 49.20 1u1g n ALA 130 Cb 0.46 -3.45 -0.06 0.00 0.00 0.00 0.00 19.45 16.41 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 2.71 5.46 0.55 0.00 0.11 -1.26 -1.43 120.40 126.54 1u1g s VAL 131 Ca 0.47 0.12 -0.15 0.00 -2.93 0.00 0.00 61.98 59.49 1u1g s VAL 131 Cb 0.14 -3.46 -0.06 0.00 -1.53 0.00 0.00 36.38 31.47 1u1g s VAL 131 CO -0.07 0.52 1.00 0.00 -3.33 0.00 0.00 175.10 173.22 1u1g s ALA 132 N -1.13 3.05 0.29 1.54 0.00 -0.24 -4.71 121.76 120.56 1u1g s ALA 132 Ca 0.19 0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.97 1u1g s ALA 132 Cb -0.12 -3.11 -0.10 0.00 0.00 0.00 0.00 23.12 19.78 1u1g s ALA 132 CO 0.09 -0.43 1.30 0.34 0.00 0.00 0.00 175.76 177.06 1u1g s ASP 133 N -3.40 6.84 0.20 0.00 2.15 -0.27 -4.95 116.67 117.24 1u1g s ASP 133 Ca 0.58 2.58 -0.09 0.00 0.43 0.00 0.00 52.55 56.05 1u1g s ASP 133 Cb -0.11 -2.64 0.13 0.00 -0.30 0.00 0.00 42.92 40.00 1u1g s ASP 133 CO 0.39 -0.51 1.76 0.15 -0.17 0.00 0.00 175.17 176.79 1u1g h PHE 134 N 3.99 1.11 -0.33 -5.34 3.04 -1.96 -1.49 116.94 115.95 1u1g h PHE 134 Ca -0.48 -0.09 -0.15 0.00 3.98 0.00 0.00 57.97 61.24 1u1g h PHE 134 Cb 1.22 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 39.39 1u1g h PHE 134 CO 0.58 0.85 -0.38 0.93 -2.02 0.00 0.00 178.31 178.28 1u1g h GLU 135 N 1.04 0.78 -0.32 1.11 5.08 -1.96 -1.72 114.58 118.60 1u1g h GLU 135 Ca 0.24 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1u1g h GLU 135 Cb 0.22 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1u1g h GLU 135 CO -0.02 1.03 -0.09 0.00 -1.00 0.00 0.00 179.01 178.93 1u1g h THR 137 N 0.41 1.23 -0.44 0.00 2.02 -1.25 -2.26 112.91 112.61 1u1g h THR 137 Ca 0.08 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1u1g h THR 137 Cb 0.59 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1u1g h THR 137 CO 0.03 0.28 0.29 0.74 0.37 0.00 0.00 175.52 177.23 1u1g h THR 138 N 0.85 1.11 -0.64 3.16 2.02 -1.29 -2.26 112.91 115.86 1u1g h THR 138 Ca 0.21 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1u1g h THR 138 Cb 0.19 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1u1g h THR 138 CO -0.02 0.11 0.30 0.00 0.37 0.00 0.00 175.52 176.28 1u1g h ALA 139 N 1.16 1.32 -0.18 6.16 0.00 -1.15 -1.53 119.26 125.05 1u1g h ALA 139 Ca 0.16 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1u1g h ALA 139 Cb -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1u1g h ALA 139 CO -0.04 0.52 -0.55 -0.07 0.00 0.00 0.00 179.25 179.12 1u1g h LEU 140 N 0.90 0.80 -0.60 0.00 3.38 -1.25 -1.35 115.31 117.19 1u1g h LEU 140 Ca 0.22 -0.59 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 1u1g h LEU 140 Cb 0.11 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1u1g h LEU 140 CO -0.03 1.25 0.10 0.58 0.09 0.00 0.00 178.44 180.43 1u1g h VAL 141 N 0.39 1.26 -0.15 1.22 2.07 -1.26 -1.48 116.25 118.30 1u1g h VAL 141 Ca -0.02 -0.99 -0.13 0.00 0.82 0.00 0.00 66.70 66.39 1u1g h VAL 141 Cb 1.17 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1u1g h VAL 141 CO 0.12 0.37 -0.46 -0.33 0.02 0.00 0.00 177.57 177.29 1u1g h GLU 142 N 0.89 0.37 -0.33 1.57 5.08 -1.30 -2.50 114.58 118.36 1u1g h GLU 142 Ca 0.18 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1u1g h GLU 142 Cb 0.42 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1u1g h GLU 142 CO 0.01 0.76 -0.35 0.00 -1.00 0.00 0.00 179.01 178.43 1u1g h ALA 143 N 1.21 0.75 -0.43 3.43 0.00 -1.07 -1.92 119.26 121.23 1u1g h ALA 143 Ca 0.02 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 1u1g h ALA 143 Cb 0.92 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1u1g h ALA 143 CO 0.08 0.66 -0.14 0.00 0.00 0.00 0.00 179.25 179.85 1u1g h ALA 144 N 0.96 0.94 0.00 0.00 0.00 -1.19 -2.80 119.26 117.17 1u1g h ALA 144 Ca 0.06 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1u1g h ALA 144 Cb 0.90 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1u1g h ALA 144 CO 0.08 0.62 -0.53 1.57 0.00 0.00 0.00 179.25 180.99 1u1g h LYS 145 N 0.72 0.00 -0.39 0.00 5.09 -1.39 -2.20 116.57 118.40 1u1g h LYS 145 Ca 0.12 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.72 1u1g h LYS 145 Cb 0.63 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.95 1u1g h LYS 145 CO 0.04 0.53 -0.30 1.03 -2.09 0.00 0.00 179.45 178.66 1u1g h SER 146 N 0.00 0.89 0.52 7.07 0.87 -1.09 -3.19 113.55 118.62 1u1g h SER 146 Ca -0.01 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1u1g h SER 146 Cb 1.06 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1u1g h SER 146 CO 0.07 1.12 -0.92 2.30 -0.53 0.00 0.00 176.83 178.87 1u1g n ILE 147 N -4.08 0.20 -1.35 2.23 -6.64 -1.11 -5.03 119.36 103.58 1u1g n ILE 147 Ca -0.01 -0.24 0.00 0.00 -1.77 0.00 0.00 62.75 60.74 1u1g n ILE 147 Cb 0.49 0.15 0.00 0.00 -1.44 0.00 0.00 39.64 38.84 1u1g n ILE 147 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1u1g n GLY 148 N 1.37 -0.46 3.24 3.28 0.00 -0.86 -5.11 105.19 106.66 1u1g n GLY 148 Ca 0.02 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.42 1.48 -0.36 4.61 0.00 -1.05 -5.05 121.76 119.97 1u1g s ALA 149 Ca 0.00 -1.33 -0.29 0.00 0.00 0.00 0.00 51.96 50.34 1u1g s ALA 149 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1u1g s ALA 149 CO 0.00 0.06 1.37 0.99 0.00 0.00 0.00 175.76 178.18 1u1g s THR 150 N -2.37 4.00 0.00 0.00 2.01 -1.26 -4.82 115.64 113.20 1u1g s THR 150 Ca 0.10 1.07 0.08 0.00 0.31 0.00 0.00 61.69 63.26 1u1g s THR 150 Cb -0.03 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 1u1g s THR 150 CO 0.03 -0.62 -0.25 -0.89 -0.69 0.00 0.00 174.62 172.19 1u1g s THR 151 N 4.96 2.15 -0.04 -0.82 2.01 -1.26 -0.95 115.64 121.68 1u1g s THR 151 Ca 0.59 -1.19 0.04 0.00 0.31 0.00 0.00 61.69 61.44 1u1g s THR 151 Cb -0.15 -1.78 -0.00 0.00 0.01 0.00 0.00 72.50 70.57 1u1g s THR 151 CO 0.28 0.50 -0.15 -1.00 -0.69 0.00 0.00 174.62 173.56 1u1g s HIS 152 N -0.69 1.56 -0.12 4.92 3.76 -0.55 -4.98 115.29 119.19 1u1g s HIS 152 Ca 0.11 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.59 1u1g s HIS 152 Cb -0.10 -1.06 -0.01 0.00 1.11 0.00 0.00 32.58 32.52 1u1g s HIS 152 CO 0.00 -0.16 -0.17 0.08 -0.85 0.00 0.00 174.74 173.64 1u1g s VAL 153 N 0.11 2.65 -3.07 -0.90 1.01 -1.26 -1.55 120.40 117.39 1u1g s VAL 153 Ca -0.04 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1u1g s VAL 153 Cb -0.11 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1u1g s VAL 153 CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1u1g n GLY 154 N 3.55 -0.60 3.83 4.51 0.00 -1.02 -4.99 105.19 110.46 1u1g n GLY 154 Ca -0.19 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.80 4.81 -0.01 1.61 1.01 -1.26 -1.57 120.40 121.18 1u1g s VAL 155 Ca 0.00 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.09 1u1g s VAL 155 Cb 0.00 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1u1g s VAL 155 CO 0.00 0.43 -0.25 -0.89 0.00 0.00 0.00 175.10 174.38 1u1g s THR 156 N -1.25 2.01 -0.24 3.92 2.01 -0.95 -1.33 115.64 119.81 1u1g s THR 156 Ca 0.32 -1.12 -0.17 0.00 0.31 0.00 0.00 61.69 61.03 1u1g s THR 156 Cb -0.17 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 1u1g s THR 156 CO 0.19 0.54 0.47 0.00 -0.69 0.00 0.00 174.62 175.12 1u1g s ALA 157 N -0.62 3.57 -0.32 7.40 0.00 -0.32 -0.23 121.76 131.23 1u1g s ALA 157 Ca 0.10 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 1u1g s ALA 157 Cb -0.10 -2.80 0.06 0.00 0.00 0.00 0.00 23.12 20.29 1u1g s ALA 157 CO -0.01 -0.57 0.04 0.45 0.00 0.00 0.00 175.76 175.67 1u1g s SER 158 N 1.37 4.93 -0.02 0.00 0.15 -0.89 -1.75 113.70 117.49 1u1g s SER 158 Ca 0.21 -1.47 0.03 0.00 0.70 0.00 0.00 55.95 55.41 1u1g s SER 158 Cb -0.15 -1.72 -0.03 0.00 -1.71 0.00 0.00 66.02 62.40 1u1g s SER 158 CO 0.09 -0.32 -0.07 -0.55 1.20 0.00 0.00 173.24 173.59 1u1g s SER 159 N 1.33 4.61 0.05 5.45 0.15 -0.01 -1.64 113.70 123.65 1u1g s SER 159 Ca -0.02 -0.11 0.21 0.00 0.70 0.00 0.00 55.95 56.73 1u1g s SER 159 Cb -0.20 -1.10 0.87 0.00 -1.71 0.00 0.00 66.02 63.88 1u1g s SER 159 CO -0.02 0.31 1.66 0.47 1.20 0.00 0.00 173.24 176.86 1u1g n ASP 160 N 1.78 0.16 -4.29 5.45 9.92 -0.85 -4.38 116.55 124.33 1u1g n ASP 160 Ca -0.16 0.53 -0.18 0.00 -0.53 0.00 0.00 54.79 54.45 1u1g n ASP 160 Cb 0.53 -0.57 -0.11 0.00 -0.64 0.00 0.00 41.12 40.33 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 -3.05 1.51 0.03 -3.53 -4.23 -1.26 -5.02 115.64 100.08 1u1g s THR 161 Ca 0.09 -1.97 0.10 0.00 -1.18 0.00 0.00 61.69 58.73 1u1g s THR 161 Cb 0.13 -1.80 -0.22 0.00 1.34 0.00 0.00 72.50 71.95 1u1g s THR 161 CO 0.39 -0.52 0.94 0.15 -0.54 0.00 0.00 174.62 175.04 1u1g h PHE 162 N 3.04 0.00 0.00 3.99 3.57 -1.97 -3.40 116.94 122.17 1u1g h PHE 162 Ca -0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1u1g h PHE 162 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1u1g h PHE 162 CO 0.68 0.99 0.00 0.66 -2.23 0.00 0.00 178.31 178.41 1u1g n TYR 163 N -3.18 0.00 -0.05 0.41 4.02 -1.26 -4.39 117.16 112.72 1u1g n TYR 163 Ca -0.09 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.76 1u1g n TYR 163 Cb 1.00 0.00 0.19 0.00 -0.02 0.00 0.00 39.34 40.51 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 0.64 0.00 -0.72 0.13 -1.88 -0.33 132.00 129.84 1u1g h PRO 164 Ca 0.00 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1u1g h PRO 164 Cb 0.00 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.07 1u1g h PRO 164 CO 0.00 0.74 0.00 0.78 -0.23 0.00 0.00 178.00 179.29 1u1g h GLY 165 N 0.96 0.00 -1.62 1.56 0.00 -1.87 -1.80 103.07 100.30 1u1g h GLY 165 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1u1g h GLY 165 CO 0.03 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.51 1u1g n GLN 166 N -2.82 3.00 -3.90 4.80 6.02 -0.92 -4.94 117.38 118.60 1u1g n GLN 166 Ca 0.00 -2.69 -0.26 0.00 -0.01 0.00 0.00 57.00 54.03 1u1g n GLN 166 Cb 0.22 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.74 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 -0.24 -4.21 -3.16 -1.09 1.02 -0.68 -4.96 120.64 107.33 1u1g n GLU 167 Ca 0.20 0.50 -0.39 0.00 -0.02 0.00 0.00 57.16 57.45 1u1g n GLU 167 Cb 0.81 -4.98 -0.05 0.00 -0.02 0.00 0.00 31.44 27.19 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 -6.44 4.39 -0.01 3.49 0.52 -0.18 -4.98 118.95 115.74 1u1g s ARG 168 Ca 0.22 0.72 0.13 0.00 -0.52 0.00 0.00 55.73 56.29 1u1g s ARG 168 Cb -0.12 -3.42 -0.18 0.00 0.52 0.00 0.00 34.95 31.76 1u1g s ARG 168 CO 0.86 0.15 0.41 0.66 0.02 0.00 0.00 175.30 177.40 1u1g n TYR 169 N 3.55 0.00 -2.14 -0.53 4.02 -1.26 -4.42 117.16 116.37 1u1g n TYR 169 Ca -0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.42 1u1g n TYR 169 Cb 0.51 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.67 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 -1.65 4.42 -3.68 7.72 2.03 -1.26 -4.20 116.55 119.93 1u1g n ASP 170 Ca -0.00 -2.90 -0.24 0.00 0.52 0.00 0.00 54.79 52.17 1u1g n ASP 170 Cb 0.28 -1.67 -0.07 0.00 -0.72 0.00 0.00 41.12 38.94 1u1g n ASP 170 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1u1g n THR 171 N 5.32 0.00 -0.11 5.18 -2.24 -1.26 -5.02 114.28 116.15 1u1g n THR 171 Ca 0.49 -2.41 -0.08 0.00 -2.27 0.00 0.00 64.05 59.78 1u1g n THR 171 Cb 0.41 0.97 -0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1u1g n THR 171 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1u1g h TYR 172 N 1.80 0.43 0.15 4.78 5.03 -1.99 -3.22 116.97 123.95 1u1g h TYR 172 Ca -0.29 0.01 -0.30 0.00 2.58 0.00 0.00 58.73 60.73 1u1g h TYR 172 Cb 1.22 -0.14 0.01 0.00 1.55 0.00 0.00 36.73 39.36 1u1g h TYR 172 CO 0.00 0.26 -1.41 0.66 -1.32 0.00 0.00 178.16 176.35 1u1g h SER 173 N 0.46 0.48 -0.06 -2.11 4.64 -1.97 -3.48 113.55 111.52 1u1g h SER 173 Ca 0.13 -0.57 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 1u1g h SER 173 Cb -0.03 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1u1g h SER 173 CO -0.04 1.46 -0.02 0.61 -0.87 0.00 0.00 176.83 177.97 1u1g n GLY 174 N 1.62 0.46 3.42 -0.77 0.00 -1.22 -5.02 105.19 103.69 1u1g n GLY 174 Ca -0.13 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.96 1.53 -0.06 1.61 1.70 -1.26 -4.95 118.95 116.56 1u1g s ARG 175 Ca 0.00 -1.59 0.02 0.00 -0.47 0.00 0.00 55.73 53.70 1u1g s ARG 175 Cb 0.00 -1.72 0.01 0.00 -0.57 0.00 0.00 34.95 32.67 1u1g s ARG 175 CO 0.00 0.35 -0.11 0.08 -1.08 0.00 0.00 175.30 174.54 1u1g s VAL 176 N -2.03 1.07 0.53 4.99 1.01 -1.26 -4.94 120.40 119.77 1u1g s VAL 176 Ca 0.23 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 1u1g s VAL 176 Cb -0.06 -0.98 -0.07 0.00 0.00 0.00 0.00 36.38 35.27 1u1g s VAL 176 CO 0.11 0.34 1.05 0.55 0.00 0.00 0.00 175.10 177.15 1u1g n VAL 177 N 3.77 3.28 -0.29 2.92 3.14 -1.26 -4.65 118.33 125.24 1u1g n VAL 177 Ca -0.23 -0.50 0.11 0.00 -2.96 0.00 0.00 64.34 60.76 1u1g n VAL 177 Cb 0.52 -1.26 0.26 0.00 -1.06 0.00 0.00 33.84 32.30 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 1.03 0.16 -0.63 1.45 2.43 -2.00 -1.02 114.38 115.78 1u1g h ARG 178 Ca -0.48 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 58.76 1u1g h ARG 178 Cb 1.34 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.82 1u1g h ARG 178 CO 0.54 0.10 0.42 1.25 -1.51 0.00 0.00 179.97 180.77 1u1g h HIS 179 N 0.16 0.57 -0.02 2.20 2.76 -2.03 -2.37 115.15 116.42 1u1g h HIS 179 Ca 0.52 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.71 1u1g h HIS 179 Cb 1.03 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.80 1u1g h HIS 179 CO -0.33 0.29 -0.08 1.19 -1.30 0.00 0.00 177.93 177.69 1u1g n PHE 180 N -4.48 0.00 -1.94 5.26 3.01 -0.43 -4.80 117.46 114.08 1u1g n PHE 180 Ca 0.10 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.14 1u1g n PHE 180 Cb 0.30 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.74 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 -1.92 4.19 -0.69 -1.08 -0.14 -0.89 -2.26 119.74 116.95 1u1g s LYS 181 Ca 0.24 2.29 0.00 0.00 -1.36 0.00 0.00 55.97 57.14 1u1g s LYS 181 Cb 0.18 -3.85 0.00 0.00 -1.68 0.00 0.00 37.83 32.48 1u1g s LYS 181 CO 0.32 -0.81 0.00 0.41 -0.76 0.00 0.00 175.35 174.51 1u1g n GLY 182 N 4.11 0.85 0.20 -3.33 0.00 -1.26 -4.93 105.19 100.83 1u1g n GLY 182 Ca 0.17 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 0.69 -0.54 1.61 4.64 -1.76 -3.13 113.55 115.06 1u1g h SER 183 Ca -0.13 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1u1g h SER 183 Cb 0.56 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 1u1g h SER 183 CO 0.19 1.20 0.34 -0.03 -0.87 0.00 0.00 176.83 177.67 1u1g h MET 184 N 0.41 0.72 -0.43 4.77 -1.53 -1.92 -1.33 114.93 115.62 1u1g h MET 184 Ca -0.03 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.16 1u1g h MET 184 Cb 1.32 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 32.19 1u1g h MET 184 CO 0.14 0.50 0.20 1.49 0.14 0.00 0.00 176.91 179.37 1u1g h GLU 185 N 0.73 0.60 -0.07 0.39 4.81 -1.98 -0.90 114.58 118.16 1u1g h GLU 185 Ca 0.20 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1u1g h GLU 185 Cb -0.05 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 1u1g h GLU 185 CO -0.04 0.48 -0.02 1.49 -0.73 0.00 0.00 179.01 180.19 1u1g h GLU 186 N 0.60 0.13 -0.93 1.92 4.57 -1.35 -2.56 114.58 116.97 1u1g h GLU 186 Ca 0.15 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1u1g h GLU 186 Cb 0.08 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 1u1g h GLU 186 CO -0.02 0.48 0.55 -1.49 -1.18 0.00 0.00 179.01 177.36 1u1g h TRP 187 N -0.22 1.23 -0.58 0.92 -0.00 -1.03 -2.55 115.95 113.71 1u1g h TRP 187 Ca 0.02 -0.01 0.02 0.00 -0.00 0.00 0.00 58.89 58.92 1u1g h TRP 187 Cb 0.44 -0.40 -0.03 0.00 -0.00 0.00 0.00 29.16 29.16 1u1g h TRP 187 CO 0.06 0.82 0.37 1.96 -0.00 0.00 0.00 178.44 181.65 1u1g h GLN 188 N 1.28 0.71 0.00 0.49 4.20 -1.15 -1.87 115.11 118.78 1u1g h GLN 188 Ca 0.33 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.96 1u1g h GLN 188 Cb -0.04 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 1u1g h GLN 188 CO -0.06 0.47 -0.20 0.00 -0.67 0.00 0.00 178.83 178.37 1u1g h ALA 189 N 1.24 1.14 -0.05 3.87 0.00 -1.23 -2.61 119.26 121.62 1u1g h ALA 189 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1u1g h ALA 189 Cb -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1u1g h ALA 189 CO -0.08 0.25 0.00 -1.33 0.00 0.00 0.00 179.25 178.09 1u1g n MET 190 N -3.53 1.50 -0.74 0.00 2.81 -0.87 -4.93 117.12 111.37 1u1g n MET 190 Ca -0.01 -0.74 0.00 0.00 -1.81 0.00 0.00 57.70 55.14 1u1g n MET 190 Cb 0.36 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 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 1.10 0.62 3.74 3.03 0.00 -0.98 -5.03 105.19 107.67 1u1g n GLY 191 Ca 0.19 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 2.67 -0.04 1.61 1.01 -0.76 -4.65 120.40 118.24 1u1g s VAL 192 Ca 0.00 0.55 -0.18 0.00 0.00 0.00 0.00 61.98 62.35 1u1g s VAL 192 Cb 0.00 -3.35 -0.31 0.00 0.00 0.00 0.00 36.38 32.72 1u1g s VAL 192 CO 0.00 0.08 0.82 0.24 0.00 0.00 0.00 175.10 176.24 1u1g h MET 193 N 5.25 0.35 -3.03 2.72 0.00 -1.54 -3.42 114.93 115.26 1u1g h MET 193 Ca -0.46 -0.59 0.04 0.00 0.00 0.00 0.00 59.70 58.70 1u1g h MET 193 Cb 1.22 0.22 -0.04 0.00 0.00 0.00 0.00 31.60 33.00 1u1g h MET 193 CO 0.79 1.28 0.23 0.54 0.00 0.00 0.00 176.91 179.75 1u1g s ASN 194 N -7.15 -0.19 -0.09 1.22 4.22 -1.26 -1.02 114.94 110.68 1u1g s ASN 194 Ca -0.14 -0.75 0.03 0.00 -2.14 0.00 0.00 52.86 49.85 1u1g s ASN 194 Cb 0.03 0.75 -0.02 0.00 1.28 0.00 0.00 41.25 43.29 1u1g s ASN 194 CO 0.84 -1.42 -0.16 -0.31 -2.04 0.00 0.00 177.10 174.01 1u1g s TYR 195 N -3.55 2.69 0.02 1.54 4.12 -0.70 -1.17 117.35 120.31 1u1g s TYR 195 Ca 0.12 -0.51 0.00 0.00 0.02 0.00 0.00 57.07 56.71 1u1g s TYR 195 Cb -0.06 -1.72 -0.00 0.00 -1.52 0.00 0.00 41.96 38.67 1u1g s TYR 195 CO 0.08 -0.08 0.02 -0.85 0.02 0.00 0.00 175.55 174.74 1u1g n GLU 196 N 2.99 0.03 0.00 -0.62 -0.00 -0.72 -3.31 120.64 119.02 1u1g n GLU 196 Ca -0.18 -0.16 0.00 0.00 -0.00 0.00 0.00 57.16 56.82 1u1g n GLU 196 Cb 0.52 0.15 0.00 0.00 -0.00 0.00 0.00 31.44 32.11 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 -0.03 -0.45 0.00 3.44 2.81 -1.26 -0.83 117.12 120.80 1u1g n MET 197 Ca 0.00 -0.49 0.00 0.00 -1.81 0.00 0.00 57.70 55.40 1u1g n MET 197 Cb 0.03 -0.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 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 -0.04 2.86 0.10 0.03 4.71 -1.26 -3.77 120.64 123.26 1u1g n GLU 198 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1u1g n GLU 198 Cb 0.08 -0.74 0.34 0.00 -1.01 0.00 0.00 31.44 30.11 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 0.27 -0.35 1.62 4.64 -1.94 -2.34 113.55 115.44 1u1g h SER 199 Ca 0.00 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1u1g h SER 199 Cb 0.11 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1u1g h SER 199 CO 0.00 0.47 0.21 0.00 -0.87 0.00 0.00 176.83 176.64 1u1g h ALA 200 N 1.56 0.45 0.32 5.18 0.00 -1.88 -0.75 119.26 124.14 1u1g h ALA 200 Ca 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1u1g h ALA 200 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1u1g h ALA 200 CO 0.03 -0.06 -0.15 1.15 0.00 0.00 0.00 179.25 180.22 1u1g h THR 201 N 0.46 0.71 -0.11 0.00 2.02 -1.86 -2.50 112.91 111.62 1u1g h THR 201 Ca 0.13 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1u1g h THR 201 Cb 0.00 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1u1g h THR 201 CO -0.02 0.06 0.00 0.25 0.37 0.00 0.00 175.52 176.18 1u1g h LEU 202 N -0.58 -0.04 -0.48 2.58 5.85 -1.38 -1.53 115.31 119.73 1u1g h LEU 202 Ca -0.04 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.56 1u1g h LEU 202 Cb 0.43 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1u1g h LEU 202 CO 0.07 -0.00 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.83 1u1g h LEU 203 N 0.04 1.00 -0.16 2.25 3.38 -1.21 -2.19 115.31 118.42 1u1g h LEU 203 Ca 0.05 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1u1g h LEU 203 Cb 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1u1g h LEU 203 CO -0.08 1.20 -0.02 0.74 0.09 0.00 0.00 178.44 180.36 1u1g h THR 204 N 0.81 1.27 -0.01 0.22 2.02 -1.40 -1.31 112.91 114.50 1u1g h THR 204 Ca 0.09 -0.93 -0.08 0.00 0.77 0.00 0.00 66.41 66.27 1u1g h THR 204 Cb 0.85 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1u1g h THR 204 CO 0.08 0.27 -0.37 0.00 0.37 0.00 0.00 175.52 175.87 1u1g h MET 205 N 0.01 0.03 0.16 6.66 -0.00 -1.28 -2.39 114.93 118.13 1u1g h MET 205 Ca 0.04 -0.01 -0.21 0.00 -0.00 0.00 0.00 59.70 59.52 1u1g h MET 205 Cb 0.43 -0.00 0.03 0.00 -0.00 0.00 0.00 31.60 32.05 1u1g h MET 205 CO 0.01 0.40 -0.94 0.00 -0.00 0.00 0.00 176.91 176.38 1u1g h ALA 207 N 0.09 1.29 -0.42 0.00 0.00 -1.19 -1.11 119.26 117.92 1u1g h ALA 207 Ca -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1u1g h ALA 207 Cb 1.75 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1u1g h ALA 207 CO 0.18 0.27 0.00 -1.13 0.00 0.00 0.00 179.25 178.57 1u1g n SER 208 N -3.77 3.04 -0.11 0.00 3.41 -0.90 -4.30 113.62 110.99 1u1g n SER 208 Ca -0.02 -1.94 0.01 0.00 -0.26 0.00 0.00 58.87 56.66 1u1g n SER 208 Cb 0.32 -0.28 0.01 0.00 -0.26 0.00 0.00 64.21 64.01 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 1.19 0.77 -1.95 4.33 6.02 -0.99 -5.02 117.38 121.73 1u1g n GLN 209 Ca 0.19 -1.01 -0.08 0.00 -0.01 0.00 0.00 57.00 56.09 1u1g n GLN 209 Cb 0.52 -0.70 -0.01 0.00 1.02 0.00 0.00 30.24 31.07 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 -0.24 0.26 3.62 1.08 0.00 -1.08 -5.04 105.19 103.80 1u1g n GLY 210 Ca 0.01 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.31 3.25 -0.03 0.99 1.43 -0.46 -5.07 118.68 116.50 1u1g s LEU 211 Ca 0.00 -0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 1u1g s LEU 211 Cb 0.00 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.24 1u1g s LEU 211 CO 0.00 0.24 0.54 -0.13 0.23 0.00 0.00 176.35 177.23 1u1g s ARG 212 N -1.78 4.27 -0.01 1.70 0.52 -0.54 -4.04 118.95 119.07 1u1g s ARG 212 Ca 0.20 0.63 -0.03 0.00 -0.52 0.00 0.00 55.73 56.01 1u1g s ARG 212 Cb -0.11 -3.35 -0.00 0.00 0.52 0.00 0.00 34.95 32.01 1u1g s ARG 212 CO 0.11 0.37 0.05 0.00 0.02 0.00 0.00 175.30 175.85 1u1g s ALA 213 N -0.13 -0.11 0.07 2.13 0.00 -1.26 -0.62 121.76 121.84 1u1g s ALA 213 Ca 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1u1g s ALA 213 Cb -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1u1g s ALA 213 CO 0.15 -0.10 -0.04 0.20 0.00 0.00 0.00 175.76 175.97 1u1g s GLY 214 N -0.63 0.57 -0.03 0.00 0.00 -0.63 -1.11 107.32 105.49 1u1g s GLY 214 Ca -0.07 -1.24 -0.01 0.00 0.00 0.00 0.00 44.72 43.41 1u1g s GLY 214 CO 0.00 -1.34 0.05 -0.29 0.00 0.00 0.00 173.10 171.52 1u1g s MET 215 N -3.78 -0.04 0.02 2.90 1.75 -1.26 -1.54 119.30 117.35 1u1g s MET 215 Ca 0.08 0.27 0.02 0.00 -1.25 0.00 0.00 55.69 54.81 1u1g s MET 215 Cb 0.06 -0.32 -0.01 0.00 2.84 0.00 0.00 34.83 37.40 1u1g s MET 215 CO -0.08 -0.22 -0.07 0.54 -0.65 0.00 0.00 175.02 174.54 1u1g s VAL 216 N 1.44 0.52 0.02 10.11 0.11 -0.71 -2.24 120.40 129.64 1u1g s VAL 216 Ca -0.05 -0.64 -0.12 0.00 -2.93 0.00 0.00 61.98 58.24 1u1g s VAL 216 Cb -0.13 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 1u1g s VAL 216 CO -0.03 -0.10 0.24 0.00 -3.33 0.00 0.00 175.10 171.88 1u1g s ALA 217 N -0.71 -0.56 -0.17 1.54 0.00 -0.55 -2.58 121.76 118.73 1u1g s ALA 217 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 51.96 51.88 1u1g s ALA 217 Cb -0.06 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1u1g s ALA 217 CO 0.00 -0.31 -0.01 0.20 0.00 0.00 0.00 175.76 175.64 1u1g s GLY 218 N -1.71 1.76 -0.13 0.00 0.00 -0.86 -1.07 107.32 105.32 1u1g s GLY 218 Ca -0.10 -0.84 -0.29 0.00 0.00 0.00 0.00 44.72 43.49 1u1g s GLY 218 CO -0.00 0.03 1.27 0.14 0.00 0.00 0.00 173.10 174.54 1u1g s VAL 219 N 0.51 4.23 -0.15 1.40 1.01 -0.60 -2.49 120.40 124.30 1u1g s VAL 219 Ca -0.01 1.51 0.10 0.00 0.00 0.00 0.00 61.98 63.58 1u1g s VAL 219 Cb -0.14 -3.97 -0.14 0.00 0.00 0.00 0.00 36.38 32.13 1u1g s VAL 219 CO 0.02 -0.10 0.29 2.30 0.00 0.00 0.00 175.10 177.61 1u1g n ILE 220 N 5.20 0.00 -3.77 2.22 -5.35 -0.89 -1.03 119.36 115.74 1u1g n ILE 220 Ca 0.13 -0.24 -0.13 0.00 -0.27 0.00 0.00 62.75 62.24 1u1g n ILE 220 Cb 0.45 0.49 -0.09 0.00 -1.74 0.00 0.00 39.64 38.75 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 -2.48 0.05 -0.19 7.28 0.11 -1.24 -4.42 120.40 119.51 1u1g s VAL 221 Ca -0.01 -0.44 -0.01 0.00 -2.93 0.00 0.00 61.98 58.58 1u1g s VAL 221 Cb 0.07 -0.57 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 1u1g s VAL 221 CO 0.42 -0.24 -0.12 0.21 -3.33 0.00 0.00 175.10 172.04 1u1g s ASN 222 N -1.14 3.78 0.51 3.54 3.84 -1.26 -0.94 114.94 123.26 1u1g s ASN 222 Ca -0.12 -0.49 0.28 0.00 0.21 0.00 0.00 52.86 52.74 1u1g s ASN 222 Cb -0.05 -1.61 1.32 0.00 -0.55 0.00 0.00 41.25 40.36 1u1g s ASN 222 CO 0.03 0.01 2.00 0.03 -2.79 0.00 0.00 177.10 176.39 1u1g h ARG 223 N 7.84 0.00 0.00 0.43 2.47 -1.18 -0.87 114.38 123.06 1u1g h ARG 223 Ca -0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1u1g h ARG 223 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 1u1g h ARG 223 CO 0.61 0.14 -0.26 1.79 0.56 0.00 0.00 179.97 182.80 1u1g h THR 224 N 0.00 0.00 0.00 2.04 1.35 -1.88 -3.39 112.91 111.04 1u1g h THR 224 Ca -0.00 -0.72 -0.35 0.00 -0.55 0.00 0.00 66.41 64.78 1u1g h THR 224 Cb 0.46 1.57 -0.05 0.00 -1.73 0.00 0.00 68.15 68.39 1u1g h THR 224 CO 0.02 0.00 -2.20 0.00 -0.25 0.00 0.00 175.52 173.09 1u1g n GLN 225 N -2.56 0.47 -3.35 4.72 6.02 -0.94 -5.10 117.38 116.63 1u1g n GLN 225 Ca 0.04 0.19 -0.11 0.00 -0.01 0.00 0.00 57.00 57.11 1u1g n GLN 225 Cb 0.48 -1.29 -0.03 0.00 1.02 0.00 0.00 30.24 30.42 1u1g n GLN 225 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1u1g n GLN 226 N -3.81 0.50 0.00 -1.09 7.27 -0.38 -5.08 117.38 114.79 1u1g n GLN 226 Ca -0.41 -2.07 0.00 0.00 0.07 0.00 0.00 57.00 54.59 1u1g n GLN 226 Cb 0.82 1.97 0.00 0.00 2.41 0.00 0.00 30.24 35.43 1u1g n GLN 226 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1u1g n GLU 227 N -0.42 2.30 -4.60 3.69 -0.58 -1.26 -4.11 120.64 115.66 1u1g n GLU 227 Ca 0.01 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 1u1g n GLU 227 Cb 0.43 -0.81 -0.13 0.00 -0.57 0.00 0.00 31.44 30.36 1u1g n GLU 227 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1u1g s ILE 228 N -1.23 3.55 0.59 -3.67 -5.25 -1.26 -5.06 121.20 108.87 1u1g s ILE 228 Ca 0.00 -0.50 -0.13 0.00 -0.99 0.00 0.00 60.65 59.03 1u1g s ILE 228 Cb 0.00 -2.50 -0.05 0.00 2.95 0.00 0.00 42.46 42.86 1u1g s ILE 228 CO 0.00 0.54 1.02 -2.84 -1.79 0.00 0.00 174.94 171.86 1u1g s PRO 229 N -0.02 3.68 -0.07 0.37 0.02 -1.26 -4.99 135.00 132.73 1u1g s PRO 229 Ca -0.01 0.82 -0.11 0.00 0.02 0.00 0.00 61.00 61.72 1u1g s PRO 229 Cb -0.14 -2.09 -0.05 0.00 0.02 0.00 0.00 34.50 32.24 1u1g s PRO 229 CO 0.03 -0.50 0.27 1.21 -0.33 0.00 0.00 177.00 177.68 1u1g s ASN 230 N -3.84 6.58 0.10 2.53 3.84 -1.26 -5.03 114.94 117.86 1u1g s ASN 230 Ca 0.56 0.70 -0.15 0.00 0.21 0.00 0.00 52.86 54.18 1u1g s ASN 230 Cb -0.11 -2.16 -0.08 0.00 -0.55 0.00 0.00 41.25 38.35 1u1g s ASN 230 CO 0.47 0.35 1.44 0.00 -2.79 0.00 0.00 177.10 176.58 1u1g h ALA 231 N 4.96 0.43 -0.14 1.71 0.00 -1.98 -2.92 119.26 121.31 1u1g h ALA 231 Ca -0.53 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 53.92 1u1g h ALA 231 Cb 1.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1u1g h ALA 231 CO 0.61 0.40 -0.28 0.93 0.00 0.00 0.00 179.25 180.90 1u1g h GLU 232 N 0.43 0.44 -0.01 0.00 5.08 -2.02 -3.25 114.58 115.25 1u1g h GLU 232 Ca 0.06 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 1u1g h GLU 232 Cb 0.78 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1u1g h GLU 232 CO 0.06 0.89 -0.40 1.79 -1.00 0.00 0.00 179.01 180.35 1u1g h THR 233 N 0.05 1.29 -0.70 1.13 1.35 -2.01 -3.09 112.91 110.93 1u1g h THR 233 Ca 0.00 -1.37 -0.03 0.00 -0.55 0.00 0.00 66.41 64.46 1u1g h THR 233 Cb 0.87 1.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.99 1u1g h THR 233 CO 0.06 0.39 0.31 -0.03 -0.25 0.00 0.00 175.52 176.01 1u1g h MET 234 N 0.01 1.02 -0.36 4.72 1.85 -1.55 -1.20 114.93 119.42 1u1g h MET 234 Ca -0.00 -0.16 -0.10 0.00 -0.61 0.00 0.00 59.70 58.82 1u1g h MET 234 Cb 0.71 -0.18 -0.02 0.00 0.43 0.00 0.00 31.60 32.55 1u1g h MET 234 CO 0.05 0.82 -0.20 0.87 -0.40 0.00 0.00 176.91 178.05 1u1g h LYS 235 N 0.98 0.68 -0.17 0.39 1.57 -1.58 -0.98 116.57 117.46 1u1g h LYS 235 Ca 0.24 -0.26 -0.20 0.00 -1.87 0.00 0.00 60.65 58.56 1u1g h LYS 235 Cb 0.16 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1u1g h LYS 235 CO -0.03 0.84 -0.69 1.96 -0.57 0.00 0.00 179.45 180.96 1u1g h GLN 236 N 0.61 0.71 -0.47 3.15 4.20 -1.53 -2.51 115.11 119.27 1u1g h GLN 236 Ca 0.09 -0.53 -0.10 0.00 0.06 0.00 0.00 58.65 58.17 1u1g h GLN 236 Cb 0.67 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1u1g h GLN 236 CO 0.05 1.15 -0.10 1.15 -0.67 0.00 0.00 178.83 180.41 1u1g h THR 237 N 0.51 1.27 -0.54 -0.54 2.02 -1.09 -1.68 112.91 112.85 1u1g h THR 237 Ca -0.03 -1.22 -0.05 0.00 0.77 0.00 0.00 66.41 65.87 1u1g h THR 237 Cb 1.30 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 1u1g h THR 237 CO 0.14 0.42 0.12 -0.33 0.37 0.00 0.00 175.52 176.24 1u1g h GLU 238 N 0.74 0.84 -0.26 6.66 5.08 -1.22 -1.86 114.58 124.57 1u1g h GLU 238 Ca 0.12 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1u1g h GLU 238 Cb 0.65 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1u1g h GLU 238 CO 0.04 0.77 -0.25 1.03 -1.00 0.00 0.00 179.01 179.61 1u1g h SER 239 N 0.81 0.50 -0.30 1.42 0.87 -1.27 -2.16 113.55 113.41 1u1g h SER 239 Ca 0.18 -0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1u1g h SER 239 Cb 0.32 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1u1g h SER 239 CO 0.00 0.74 -0.18 -0.74 -0.53 0.00 0.00 176.83 176.12 1u1g h HIS 240 N 0.44 0.76 -0.14 2.24 2.76 -0.93 -2.98 115.15 117.30 1u1g h HIS 240 Ca 0.06 -0.20 -0.14 0.00 -2.20 0.00 0.00 60.37 57.90 1u1g h HIS 240 Cb 0.67 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 1u1g h HIS 240 CO 0.02 0.90 -0.50 0.00 -1.30 0.00 0.00 177.93 177.05 1u1g h ALA 241 N 0.74 0.88 -0.43 5.26 0.00 -1.30 -3.03 119.26 121.39 1u1g h ALA 241 Ca 0.06 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1u1g h ALA 241 Cb 0.72 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1u1g h ALA 241 CO 0.05 0.67 0.08 0.28 0.00 0.00 0.00 179.25 180.32 1u1g h VAL 242 N 0.29 1.24 -0.96 0.00 2.07 -1.42 -2.27 116.25 115.21 1u1g h VAL 242 Ca 0.01 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.72 1u1g h VAL 242 Cb 0.99 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 1u1g h VAL 242 CO 0.09 0.30 0.62 0.50 0.02 0.00 0.00 177.57 179.10 1u1g h LYS 243 N 0.56 1.10 -0.25 1.57 3.64 -1.50 -2.32 116.57 119.38 1u1g h LYS 243 Ca 0.13 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1u1g h LYS 243 Cb 0.36 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1u1g h LYS 243 CO 0.01 0.73 -0.06 0.82 -2.27 0.00 0.00 179.45 178.67 1u1g h ILE 244 N 1.14 1.28 -0.16 2.00 2.04 -1.38 -2.28 117.51 120.16 1u1g h ILE 244 Ca 0.41 -1.08 -0.11 0.00 1.00 0.00 0.00 64.86 65.08 1u1g h ILE 244 Cb 0.14 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1u1g h ILE 244 CO -0.15 0.34 -0.37 1.62 0.00 0.00 0.00 178.15 179.59 1u1g h VAL 245 N 0.22 1.29 -0.27 1.67 3.04 -1.24 -0.36 116.25 120.61 1u1g h VAL 245 Ca 0.06 -1.45 -0.12 0.00 -1.01 0.00 0.00 66.70 64.18 1u1g h VAL 245 Cb 0.53 1.58 -0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1u1g h VAL 245 CO 0.03 0.44 -0.31 0.58 -1.01 0.00 0.00 177.57 177.29 1u1g h VAL 246 N 0.29 1.31 -0.46 1.51 2.07 -1.44 -1.85 116.25 117.68 1u1g h VAL 246 Ca 0.03 -1.50 -0.06 0.00 0.82 0.00 0.00 66.70 65.99 1u1g h VAL 246 Cb 0.78 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1u1g h VAL 246 CO 0.06 0.47 0.03 -0.08 0.02 0.00 0.00 177.57 178.08 1u1g h GLU 247 N 0.41 0.74 -0.54 1.57 4.57 -1.21 -2.29 114.58 117.83 1u1g h GLU 247 Ca 0.04 -0.18 -0.11 0.00 -1.18 0.00 0.00 59.36 57.93 1u1g h GLU 247 Cb 0.89 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.37 1u1g h GLU 247 CO 0.08 0.73 -0.11 0.00 -1.18 0.00 0.00 179.01 178.52 1u1g h ALA 248 N 1.34 0.78 -0.55 2.92 0.00 -1.01 -2.92 119.26 119.82 1u1g h ALA 248 Ca 0.14 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1u1g h ALA 248 Cb 0.38 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1u1g h ALA 248 CO 0.01 0.67 0.30 0.00 0.00 0.00 0.00 179.25 180.23 1u1g h ALA 249 N 0.95 1.50 -0.96 0.00 0.00 -1.03 -2.28 119.26 117.44 1u1g h ALA 249 Ca 0.14 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1u1g h ALA 249 Cb 0.68 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1u1g h ALA 249 CO 0.05 0.42 0.63 0.00 0.00 0.00 0.00 179.25 180.35 1u1g h ARG 250 N 0.76 1.18 0.00 0.00 3.08 -1.23 -2.56 114.38 115.62 1u1g h ARG 250 Ca 0.20 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1u1g h ARG 250 Cb 0.02 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.80 1u1g h ARG 250 CO -0.03 0.78 0.00 0.00 -1.07 0.00 0.00 179.97 179.65 1u1g h ARG 251 N 1.22 0.00 -0.02 0.04 3.08 -1.34 -3.26 114.38 114.09 1u1g h ARG 251 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1u1g h ARG 251 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1u1g h ARG 251 CO -0.11 0.00 -0.20 1.28 -1.07 0.00 0.00 179.97 179.86 1u1g n LEU 252 N -2.97 2.52 0.00 3.04 4.77 -0.98 -5.08 117.00 118.30 1u1g n LEU 252 Ca 0.03 -0.87 0.15 0.00 -0.03 0.00 0.00 56.01 55.29 1u1g n LEU 252 Cb 0.44 -0.00 0.92 0.00 -2.33 0.00 0.00 43.42 42.45 1u1g n LEU 252 CO 0.31 0.44 1.08 0.18 -1.33 0.00 0.00 177.39 178.07