#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ou4 s THR 2 N 0.00 1.35 0.52 0.00 -4.23 0.73 -4.95 115.64 109.06 1ou4 s THR 2 Ca 0.00 -2.04 0.36 0.00 -1.18 0.00 0.00 61.69 58.83 1ou4 s THR 2 Cb 0.00 -2.66 0.56 0.00 1.34 0.00 0.00 72.50 71.74 1ou4 s THR 2 CO 0.00 -0.12 1.76 -0.65 -0.54 0.00 0.00 174.62 175.07 1ou4 h PRO 3 N 2.18 0.05 0.00 3.99 0.11 -2.02 -2.48 132.00 133.84 1ou4 h PRO 3 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1ou4 h PRO 3 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ou4 h PRO 3 CO 0.69 0.03 0.00 0.72 -0.21 0.00 0.00 178.00 179.23 1ou4 n HIS 4 N -4.23 0.00 -3.79 0.65 8.25 -1.26 -4.98 115.22 109.86 1ou4 n HIS 4 Ca 0.28 -0.05 -0.28 0.00 -0.26 0.00 0.00 57.72 57.42 1ou4 n HIS 4 Cb 1.31 -0.00 -0.16 0.00 1.12 0.00 0.00 29.99 32.25 1ou4 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1ou4 s ILE 5 N -0.10 0.73 -1.13 1.59 -1.09 -0.93 -4.72 121.20 115.54 1ou4 s ILE 5 Ca 0.00 -0.62 -0.14 0.00 -2.23 0.00 0.00 60.65 57.66 1ou4 s ILE 5 Cb 0.00 -1.14 0.18 0.00 -1.58 0.00 0.00 42.46 39.92 1ou4 s ILE 5 CO 0.00 -0.12 1.32 0.21 -1.23 0.00 0.00 174.94 175.12 1ou4 s ASN 6 N 1.77 7.01 0.27 3.58 2.47 -1.26 -0.19 114.94 128.59 1ou4 s ASN 6 Ca -0.01 -2.89 -0.21 0.00 0.42 0.00 0.00 52.86 50.17 1ou4 s ASN 6 Cb -0.17 -2.37 0.02 0.00 -1.45 0.00 0.00 41.25 37.28 1ou4 s ASN 6 CO -0.07 -0.74 0.70 0.00 -3.72 0.00 0.00 177.10 173.26 1ou4 s ALA 7 N 1.40 -1.20 0.34 1.71 0.00 -1.26 -4.62 121.76 118.13 1ou4 s ALA 7 Ca 0.39 -0.29 0.09 0.00 0.00 0.00 0.00 51.96 52.15 1ou4 s ALA 7 Cb -0.04 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.89 1ou4 s ALA 7 CO -0.03 -1.02 0.02 -1.21 0.00 0.00 0.00 175.76 173.53 1ou4 s GLU 8 N -3.91 2.09 0.26 0.00 0.41 -1.26 -1.70 118.70 114.60 1ou4 s GLU 8 Ca 0.11 -1.74 -0.30 0.00 -0.41 0.00 0.00 54.97 52.63 1ou4 s GLU 8 Cb -0.05 -1.94 -0.14 0.00 -1.78 0.00 0.00 34.13 30.22 1ou4 s GLU 8 CO 0.06 0.13 1.25 -0.12 -0.49 0.00 0.00 175.26 176.09 1ou4 n MET 9 N -0.97 1.77 0.00 1.61 0.00 -1.26 -1.80 117.12 116.47 1ou4 n MET 9 Ca -0.04 0.63 0.00 0.00 -0.00 0.00 0.00 57.70 58.28 1ou4 n MET 9 Cb 0.62 -2.18 0.00 0.00 0.00 0.00 0.00 33.22 31.67 1ou4 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ou4 n GLY 10 N 1.60 2.83 0.16 -5.12 0.00 -1.26 -4.91 105.19 98.48 1ou4 n GLY 10 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 1ou4 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ou4 h ASP 11 N 0.00 0.15 -2.96 1.61 3.32 -1.72 -3.43 116.42 113.38 1ou4 h ASP 11 Ca 0.00 -0.08 -0.64 0.00 0.02 0.00 0.00 57.03 56.33 1ou4 h ASP 11 Cb 0.00 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 1ou4 h ASP 11 CO 0.00 0.68 -0.53 -0.36 -1.72 0.00 0.00 179.24 177.31 1ou4 s PHE 12 N -3.79 3.43 0.91 4.55 0.40 -1.26 -4.75 117.98 117.46 1ou4 s PHE 12 Ca -0.03 0.24 -0.14 0.00 -0.60 0.00 0.00 56.93 56.41 1ou4 s PHE 12 Cb 0.13 -1.75 0.14 0.00 0.51 0.00 0.00 43.02 42.05 1ou4 s PHE 12 CO 0.78 0.59 1.20 0.00 0.70 0.00 0.00 175.22 178.48 1ou4 s ALA 13 N -1.37 2.12 -1.83 5.36 0.00 -1.26 -4.93 121.76 119.85 1ou4 s ALA 13 Ca 0.29 -0.77 0.26 0.00 0.00 0.00 0.00 51.96 51.74 1ou4 s ALA 13 Cb -0.13 -2.93 1.48 0.00 0.00 0.00 0.00 23.12 21.54 1ou4 s ALA 13 CO 0.21 -2.20 1.90 -0.40 0.00 0.00 0.00 175.76 175.27 1ou4 n ASP 14 N -3.68 0.00 -3.97 0.00 5.75 -1.26 -4.63 116.55 108.76 1ou4 n ASP 14 Ca 0.10 -0.59 -0.24 0.00 -0.01 0.00 0.00 54.79 54.05 1ou4 n ASP 14 Cb 0.60 -0.09 -0.17 0.00 -1.03 0.00 0.00 41.12 40.44 1ou4 n ASP 14 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ou4 s VAL 15 N -2.17 0.95 -0.09 2.12 1.01 -1.26 -1.11 120.40 119.84 1ou4 s VAL 15 Ca 0.35 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1ou4 s VAL 15 Cb 0.18 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1ou4 s VAL 15 CO 0.33 0.32 -0.13 -0.69 0.00 0.00 0.00 175.10 174.93 1ou4 s VAL 16 N 0.91 1.31 -0.07 2.92 1.01 0.69 -2.32 120.40 124.85 1ou4 s VAL 16 Ca -0.10 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.16 1ou4 s VAL 16 Cb -0.15 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 1ou4 s VAL 16 CO 0.01 0.40 0.45 -0.76 0.00 0.00 0.00 175.10 175.20 1ou4 s LEU 17 N 0.92 4.36 -0.21 3.92 1.02 0.40 -0.69 118.68 128.40 1ou4 s LEU 17 Ca -0.09 0.87 -0.02 0.00 0.02 0.00 0.00 54.13 54.91 1ou4 s LEU 17 Cb -0.15 -2.65 0.06 0.00 0.02 0.00 0.00 46.19 43.48 1ou4 s LEU 17 CO 0.00 0.14 0.02 -0.04 0.02 0.00 0.00 176.35 176.49 1ou4 s MET 18 N -0.09 0.84 0.57 1.70 -1.94 0.07 -1.62 119.30 118.82 1ou4 s MET 18 Ca 0.25 -0.58 -0.01 0.00 -1.71 0.00 0.00 55.69 53.63 1ou4 s MET 18 Cb -0.16 -2.19 0.03 0.00 2.01 0.00 0.00 34.83 34.52 1ou4 s MET 18 CO 0.11 -0.66 0.81 -1.25 -0.01 0.00 0.00 175.02 174.03 1ou4 s PRO 19 N 1.75 2.61 -0.01 2.03 0.04 -1.24 -1.69 135.00 138.49 1ou4 s PRO 19 Ca -0.01 -0.55 -0.07 0.00 0.04 0.00 0.00 61.00 60.41 1ou4 s PRO 19 Cb -0.17 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1ou4 s PRO 19 CO -0.09 -0.73 0.63 0.78 0.04 0.00 0.00 177.00 177.62 1ou4 h GLY 20 N -0.02 -0.28 -4.58 0.56 0.00 -1.88 -2.07 103.07 94.80 1ou4 h GLY 20 Ca -0.44 0.10 -0.54 0.00 0.00 0.00 0.00 47.33 46.46 1ou4 h GLY 20 CO 0.56 -0.10 0.64 -0.35 0.00 0.00 0.00 176.54 177.28 1ou4 s ASP 21 N -3.33 7.01 0.56 0.19 2.15 -1.26 -2.74 116.67 119.25 1ou4 s ASP 21 Ca -0.04 2.05 0.24 0.00 0.43 0.00 0.00 52.55 55.23 1ou4 s ASP 21 Cb 0.00 -2.58 1.55 0.00 -0.30 0.00 0.00 42.92 41.60 1ou4 s ASP 21 CO 0.12 -0.54 2.18 -0.65 -0.17 0.00 0.00 175.17 176.10 1ou4 h PRO 22 N 7.01 0.00 0.00 4.34 0.11 -1.90 -2.09 132.00 139.47 1ou4 h PRO 22 Ca -0.40 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 1ou4 h PRO 22 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1ou4 h PRO 22 CO 0.84 0.00 -0.18 -0.07 -0.21 0.00 0.00 178.00 178.38 1ou4 h LEU 23 N 0.00 0.00 -0.64 2.35 3.38 -1.92 -2.65 115.31 115.84 1ou4 h LEU 23 Ca 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1ou4 h LEU 23 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1ou4 h LEU 23 CO -0.00 0.18 -0.58 0.03 0.09 0.00 0.00 178.44 178.16 1ou4 h ARG 24 N 0.00 0.00 -0.01 1.13 3.08 -1.78 -3.02 114.38 113.78 1ou4 h ARG 24 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1ou4 h ARG 24 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1ou4 h ARG 24 CO 0.02 0.58 -0.32 0.00 -1.07 0.00 0.00 179.97 179.19 1ou4 h ALA 25 N 1.42 1.46 -0.23 0.04 0.00 -1.59 0.68 119.26 121.05 1ou4 h ALA 25 Ca -0.01 -0.29 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 1ou4 h ALA 25 Cb 1.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ou4 h ALA 25 CO 0.08 0.41 -0.61 -0.22 0.00 0.00 0.00 179.25 178.90 1ou4 h LYS 26 N 0.02 0.82 -0.22 0.00 3.64 -1.60 -2.78 116.57 116.44 1ou4 h LYS 26 Ca -0.00 -0.58 -0.06 0.00 -1.27 0.00 0.00 60.65 58.75 1ou4 h LYS 26 Cb 0.57 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1ou4 h LYS 26 CO 0.04 1.20 -0.09 -0.92 -2.27 0.00 0.00 179.45 177.41 1ou4 h TYR 27 N 0.57 0.52 -0.20 1.91 5.03 -1.33 -2.81 116.97 120.66 1ou4 h TYR 27 Ca -0.01 -0.12 0.04 0.00 2.58 0.00 0.00 58.73 61.22 1ou4 h TYR 27 Cb 1.23 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 39.35 1ou4 h TYR 27 CO 0.08 0.72 -0.08 0.82 -1.32 0.00 0.00 178.16 178.38 1ou4 h ILE 28 N 0.17 0.73 -0.93 1.81 1.08 -0.91 -0.07 117.51 119.39 1ou4 h ILE 28 Ca 0.05 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.51 1ou4 h ILE 28 Cb 0.57 0.73 -0.04 0.00 -3.07 0.00 0.00 36.82 35.00 1ou4 h ILE 28 CO 0.03 0.00 0.54 0.00 -0.69 0.00 0.00 178.15 178.03 1ou4 h ALA 29 N 1.13 1.19 0.00 1.87 0.00 -1.51 0.97 119.26 122.91 1ou4 h ALA 29 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ou4 h ALA 29 Cb 0.21 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ou4 h ALA 29 CO -0.23 0.67 -0.41 1.05 0.00 0.00 0.00 179.25 180.33 1ou4 h GLU 30 N 1.29 0.00 0.00 0.00 4.11 -1.28 -3.07 114.58 115.63 1ou4 h GLU 30 Ca 0.33 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.48 1ou4 h GLU 30 Cb -0.02 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1ou4 h GLU 30 CO -0.06 0.00 -2.28 2.41 0.07 0.00 0.00 179.01 179.15 1ou4 n THR 31 N -2.25 1.07 0.00 -1.06 -1.04 -0.06 -4.79 114.28 106.15 1ou4 n THR 31 Ca 0.04 -0.77 0.00 0.00 -2.04 0.00 0.00 64.05 61.27 1ou4 n THR 31 Cb 0.45 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 1ou4 n THR 31 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1ou4 n PHE 32 N -2.64 0.00 -3.56 -1.42 3.01 0.31 -5.07 117.46 108.09 1ou4 n PHE 32 Ca -0.26 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 57.97 1ou4 n PHE 32 Cb 1.02 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.48 1ou4 n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1ou4 s LEU 33 N -3.26 4.11 0.17 4.37 1.43 -1.16 -4.77 118.68 119.58 1ou4 s LEU 33 Ca 0.00 0.34 0.10 0.00 -1.03 0.00 0.00 54.13 53.54 1ou4 s LEU 33 Cb 0.00 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.00 1ou4 s LEU 33 CO 0.00 -0.22 -0.20 -1.61 0.23 0.00 0.00 176.35 174.55 1ou4 s GLU 34 N -4.17 1.69 -1.44 1.70 2.02 -0.07 -4.72 118.70 113.70 1ou4 s GLU 34 Ca 0.38 -1.37 -0.06 0.00 0.02 0.00 0.00 54.97 53.94 1ou4 s GLU 34 Cb -0.09 -1.98 0.04 0.00 0.10 0.00 0.00 34.13 32.20 1ou4 s GLU 34 CO 0.34 0.43 0.69 -0.25 0.02 0.00 0.00 175.26 176.49 1ou4 n ASP 35 N 0.40 -2.06 -4.77 -0.19 10.43 -1.26 -2.22 116.55 116.88 1ou4 n ASP 35 Ca -0.13 -0.89 -0.38 0.00 2.57 0.00 0.00 54.79 55.96 1ou4 n ASP 35 Cb 0.55 -3.55 -0.06 0.00 1.84 0.00 0.00 41.12 39.90 1ou4 n ASP 35 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ou4 s ALA 36 N -3.62 3.24 0.06 2.24 0.00 -1.26 -4.62 121.76 117.80 1ou4 s ALA 36 Ca 0.26 0.62 0.05 0.00 0.00 0.00 0.00 51.96 52.89 1ou4 s ALA 36 Cb -0.13 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1ou4 s ALA 36 CO 0.85 0.08 -0.15 -0.98 0.00 0.00 0.00 175.76 175.56 1ou4 s ARG 37 N -1.86 0.88 0.23 0.00 1.70 -0.42 -4.97 118.95 114.50 1ou4 s ARG 37 Ca 0.49 -0.90 -0.28 0.00 -0.47 0.00 0.00 55.73 54.57 1ou4 s ARG 37 Cb -0.22 -0.91 -0.09 0.00 -0.57 0.00 0.00 34.95 33.16 1ou4 s ARG 37 CO 0.28 0.21 0.89 -2.00 -1.08 0.00 0.00 175.30 173.60 1ou4 s GLU 38 N -1.53 4.72 0.00 3.89 2.12 -1.26 -1.91 118.70 124.73 1ou4 s GLU 38 Ca -0.00 1.35 0.00 0.00 0.36 0.00 0.00 54.97 56.68 1ou4 s GLU 38 Cb -0.09 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.10 1ou4 s GLU 38 CO 0.02 0.50 0.00 1.33 -0.54 0.00 0.00 175.26 176.57 1ou4 n VAL 39 N 1.37 0.00 -3.60 3.70 0.24 0.66 -4.94 118.33 115.76 1ou4 n VAL 39 Ca -0.03 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.34 61.85 1ou4 n VAL 39 Cb 0.48 0.87 -0.07 0.00 -1.47 0.00 0.00 33.84 33.65 1ou4 n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1ou4 s ASN 40 N -0.78 -0.68 0.00 -1.34 3.84 -1.17 -4.38 114.94 110.42 1ou4 s ASN 40 Ca 0.00 1.12 0.00 0.00 0.21 0.00 0.00 52.86 54.19 1ou4 s ASN 40 Cb 0.00 1.07 0.00 0.00 -0.55 0.00 0.00 41.25 41.77 1ou4 s ASN 40 CO 0.00 -0.38 0.00 -0.46 -2.79 0.00 0.00 177.10 173.47 1ou4 n ASN 41 N 2.02 0.00 -4.60 -4.21 6.94 -1.26 -0.71 115.26 113.45 1ou4 n ASN 41 Ca -0.16 -0.72 -0.49 0.00 -0.02 0.00 0.00 54.58 53.20 1ou4 n ASN 41 Cb 0.56 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.94 1ou4 n ASN 41 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1ou4 n VAL 42 N 0.00 0.67 -1.00 3.53 0.31 -1.26 -0.29 118.33 120.29 1ou4 n VAL 42 Ca 0.00 -0.17 -0.01 0.00 -0.01 0.00 0.00 64.34 64.15 1ou4 n VAL 42 Cb 0.18 -0.98 -0.01 0.00 -0.91 0.00 0.00 33.84 32.13 1ou4 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ou4 n ARG 43 N 2.05 -1.97 -0.89 5.55 1.74 -1.26 -1.45 116.66 120.43 1ou4 n ARG 43 Ca 0.15 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 1ou4 n ARG 43 Cb 0.25 -4.94 0.00 0.00 -1.02 0.00 0.00 32.46 26.75 1ou4 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ou4 n GLY 44 N 0.88 0.51 3.40 -0.13 0.00 0.60 -4.98 105.19 105.47 1ou4 n GLY 44 Ca -0.01 -0.39 -0.45 0.00 0.00 0.00 0.00 46.02 45.18 1ou4 n GLY 44 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ou4 s MET 45 N -0.77 4.15 0.27 1.61 0.00 -0.53 -4.89 119.30 119.15 1ou4 s MET 45 Ca 0.00 -2.92 -0.31 0.00 0.00 0.00 0.00 55.69 52.46 1ou4 s MET 45 Cb 0.00 -4.80 -0.12 0.00 0.00 0.00 0.00 34.83 29.91 1ou4 s MET 45 CO 0.00 -1.49 1.56 1.28 0.00 0.00 0.00 175.02 176.37 1ou4 n LEU 46 N 4.09 3.96 -4.17 4.11 4.77 -1.25 -4.22 117.00 124.27 1ou4 n LEU 46 Ca 0.30 1.14 -0.27 0.00 -0.03 0.00 0.00 56.01 57.14 1ou4 n LEU 46 Cb 0.41 -1.54 -0.16 0.00 -2.33 0.00 0.00 43.42 39.80 1ou4 n LEU 46 CO 0.54 -0.03 -0.52 -0.83 -1.33 0.00 0.00 177.39 175.22 1ou4 s GLY 47 N 0.51 1.00 0.07 -0.72 0.00 0.12 -3.75 107.32 104.55 1ou4 s GLY 47 Ca 0.66 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 44.63 1ou4 s GLY 47 CO 0.47 -0.48 -0.11 -1.36 0.00 0.00 0.00 173.10 171.61 1ou4 s PHE 48 N -0.11 1.04 0.02 1.90 0.08 0.34 -0.25 117.98 121.01 1ou4 s PHE 48 Ca -0.01 -0.54 0.04 0.00 0.12 0.00 0.00 56.93 56.54 1ou4 s PHE 48 Cb -0.11 -0.58 -0.02 0.00 -0.57 0.00 0.00 43.02 41.74 1ou4 s PHE 48 CO 0.02 0.01 -0.12 0.99 -0.10 0.00 0.00 175.22 176.02 1ou4 s THR 49 N -1.70 0.93 0.00 0.64 2.01 -0.80 -0.41 115.64 116.30 1ou4 s THR 49 Ca -0.01 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1ou4 s THR 49 Cb -0.08 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1ou4 s THR 49 CO 0.01 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 1ou4 n GLY 50 N 2.27 1.51 3.11 4.40 0.00 0.23 -1.31 105.19 115.41 1ou4 n GLY 50 Ca -0.16 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.11 1ou4 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ou4 s THR 51 N -2.08 0.82 -0.28 2.61 -4.23 -0.94 0.10 115.64 111.64 1ou4 s THR 51 Ca 0.00 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1ou4 s THR 51 Cb 0.00 -0.83 0.08 0.00 1.34 0.00 0.00 72.50 73.09 1ou4 s THR 51 CO 0.00 -0.29 0.03 -0.47 -0.54 0.00 0.00 174.62 173.35 1ou4 s TYR 52 N -1.29 2.25 -1.34 3.99 6.14 0.11 -0.89 117.35 126.32 1ou4 s TYR 52 Ca -0.06 -1.89 -0.05 0.00 0.64 0.00 0.00 57.07 55.71 1ou4 s TYR 52 Cb -0.10 -1.83 0.02 0.00 0.42 0.00 0.00 41.96 40.48 1ou4 s TYR 52 CO 0.01 -0.83 1.00 1.63 0.64 0.00 0.00 175.55 178.00 1ou4 n LYS 53 N 4.70 -6.52 -0.46 4.97 5.02 -1.26 -1.88 118.16 122.72 1ou4 n LYS 53 Ca -0.05 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1ou4 n LYS 53 Cb 0.43 -5.67 0.00 0.00 -0.02 0.00 0.00 35.03 29.78 1ou4 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ou4 n GLY 54 N -1.61 1.81 3.66 0.72 0.00 -1.26 -5.01 105.19 103.50 1ou4 n GLY 54 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1ou4 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ou4 s ARG 55 N -0.10 4.14 0.02 1.61 3.00 -0.79 -5.02 118.95 121.81 1ou4 s ARG 55 Ca 0.00 0.17 -0.30 0.00 -1.00 0.00 0.00 55.73 54.60 1ou4 s ARG 55 Cb 0.00 -3.56 -0.06 0.00 0.00 0.00 0.00 34.95 31.33 1ou4 s ARG 55 CO 0.00 -0.09 1.37 0.21 0.00 0.00 0.00 175.30 176.79 1ou4 s LYS 56 N 1.46 4.31 -0.01 5.12 2.20 -1.26 -0.71 119.74 130.85 1ou4 s LYS 56 Ca 0.18 1.95 -0.04 0.00 -0.36 0.00 0.00 55.97 57.70 1ou4 s LYS 56 Cb -0.15 -3.50 -0.00 0.00 -1.51 0.00 0.00 37.83 32.67 1ou4 s LYS 56 CO 0.08 -0.52 0.08 0.42 -0.36 0.00 0.00 175.35 175.05 1ou4 s ILE 57 N 2.06 0.06 0.19 5.43 1.01 0.11 -4.67 121.20 125.40 1ou4 s ILE 57 Ca 0.63 -0.53 0.11 0.00 0.00 0.00 0.00 60.65 60.86 1ou4 s ILE 57 Cb -0.32 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.82 1ou4 s ILE 57 CO 0.27 -0.29 -0.23 -0.44 0.00 0.00 0.00 174.94 174.25 1ou4 s SER 58 N -0.94 3.33 -0.03 3.58 0.01 -0.98 -0.60 113.70 118.07 1ou4 s SER 58 Ca -0.10 -0.88 -0.02 0.00 1.31 0.00 0.00 55.95 56.26 1ou4 s SER 58 Cb -0.06 -0.24 0.01 0.00 0.21 0.00 0.00 66.02 65.94 1ou4 s SER 58 CO 0.00 0.09 0.07 0.54 0.41 0.00 0.00 173.24 174.36 1ou4 s VAL 59 N -1.78 -0.02 -0.25 3.43 0.11 0.45 -0.45 120.40 121.89 1ou4 s VAL 59 Ca 0.21 0.06 -0.26 0.00 -2.93 0.00 0.00 61.98 59.05 1ou4 s VAL 59 Cb -0.07 -0.12 0.10 0.00 -1.53 0.00 0.00 36.38 34.76 1ou4 s VAL 59 CO 0.10 0.02 0.89 -0.32 -3.33 0.00 0.00 175.10 172.45 1ou4 s MET 60 N 0.35 0.68 0.50 1.54 0.00 -0.64 -0.50 119.30 121.23 1ou4 s MET 60 Ca -0.03 0.68 -0.21 0.00 0.00 0.00 0.00 55.69 56.14 1ou4 s MET 60 Cb -0.04 0.33 -0.07 0.00 0.00 0.00 0.00 34.83 35.06 1ou4 s MET 60 CO -0.01 -0.11 1.14 0.20 0.00 0.00 0.00 175.02 176.24 1ou4 s GLY 61 N 0.06 2.69 0.00 2.11 0.00 -1.25 -3.70 107.32 107.23 1ou4 s GLY 61 Ca 0.00 0.86 0.08 0.00 0.00 0.00 0.00 44.72 45.66 1ou4 s GLY 61 CO -0.02 1.26 0.76 -2.39 0.00 0.00 0.00 173.10 172.71 1ou4 n HIS 62 N -0.92 0.00 -0.78 1.90 1.44 -0.78 -4.93 115.22 111.16 1ou4 n HIS 62 Ca 0.10 -0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.83 1ou4 n HIS 62 Cb 0.50 -0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.60 1ou4 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ou4 n GLY 63 N 0.45 -2.17 3.86 -1.39 0.00 -1.11 -3.11 105.19 101.71 1ou4 n GLY 63 Ca 0.05 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 1ou4 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ou4 s MET 64 N -1.02 3.56 0.00 1.61 1.00 -1.26 -4.72 119.30 118.47 1ou4 s MET 64 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 55.69 55.55 1ou4 s MET 64 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 34.83 31.61 1ou4 s MET 64 CO 0.00 0.71 0.00 0.41 0.00 0.00 0.00 175.02 176.14 1ou4 n GLY 65 N 2.21 0.62 0.20 -0.03 0.00 -1.24 -4.39 105.19 102.56 1ou4 n GLY 65 Ca -0.19 -1.61 -0.02 0.00 0.00 0.00 0.00 46.02 44.20 1ou4 n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ou4 h ILE 66 N 0.00 0.69 -0.31 -0.61 2.04 -1.74 -2.56 117.51 115.01 1ou4 h ILE 66 Ca 0.00 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1ou4 h ILE 66 Cb 0.00 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 1ou4 h ILE 66 CO 0.00 0.04 0.05 -0.65 0.00 0.00 0.00 178.15 177.59 1ou4 h PRO 67 N 0.22 0.15 0.49 2.37 0.11 -1.90 -1.13 132.00 132.31 1ou4 h PRO 67 Ca 0.26 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.34 1ou4 h PRO 67 Cb 0.37 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1ou4 h PRO 67 CO -0.36 0.10 -0.24 1.03 -0.21 0.00 0.00 178.00 178.33 1ou4 h SER 68 N 0.15 -0.56 0.41 -2.05 0.87 -1.69 -2.80 113.55 107.89 1ou4 h SER 68 Ca 0.15 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 1ou4 h SER 68 Cb 0.17 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1ou4 h SER 68 CO -0.21 -0.37 -0.13 0.00 -0.53 0.00 0.00 176.83 175.59 1ou4 h SER 70 N 0.00 0.17 0.58 0.00 0.02 -1.04 -0.50 113.55 112.78 1ou4 h SER 70 Ca -0.00 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1ou4 h SER 70 Cb 0.37 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.87 1ou4 h SER 70 CO 0.02 0.59 -0.28 0.40 -1.14 0.00 0.00 176.83 176.42 1ou4 h ILE 71 N 0.14 0.35 -0.22 3.27 1.08 -1.07 -2.44 117.51 118.62 1ou4 h ILE 71 Ca 0.01 -0.27 -0.03 0.00 -0.39 0.00 0.00 64.86 64.19 1ou4 h ILE 71 Cb 0.82 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 1ou4 h ILE 71 CO 0.06 0.03 0.03 1.88 -0.69 0.00 0.00 178.15 179.47 1ou4 h TYR 72 N -0.96 0.40 0.00 1.37 0.05 -1.48 -2.49 116.97 113.85 1ou4 h TYR 72 Ca -0.08 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.60 1ou4 h TYR 72 Cb 0.65 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 1ou4 h TYR 72 CO -0.00 0.51 -0.19 1.79 -1.05 0.00 0.00 178.16 179.22 1ou4 h THR 73 N 0.16 0.89 -0.02 -2.88 1.35 -1.18 -1.33 112.91 109.91 1ou4 h THR 73 Ca 0.07 -0.71 -0.02 0.00 -0.55 0.00 0.00 66.41 65.20 1ou4 h THR 73 Cb 0.34 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1ou4 h THR 73 CO 0.01 0.19 -0.07 0.50 -0.25 0.00 0.00 175.52 175.89 1ou4 h LYS 74 N 0.00 0.09 -0.66 4.72 3.11 -1.31 -2.79 116.57 119.73 1ou4 h LYS 74 Ca -0.00 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.74 1ou4 h LYS 74 Cb 0.39 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.61 1ou4 h LYS 74 CO 0.02 0.70 0.29 0.93 -2.81 0.00 0.00 179.45 178.58 1ou4 h GLU 75 N -0.51 0.96 -0.66 1.90 5.08 -1.24 -1.80 114.58 118.31 1ou4 h GLU 75 Ca -0.00 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1ou4 h GLU 75 Cb 0.71 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1ou4 h GLU 75 CO 0.02 0.78 0.37 -0.07 -1.00 0.00 0.00 179.01 179.11 1ou4 h LEU 76 N 0.91 0.83 -0.09 1.33 3.38 -1.33 -0.92 115.31 119.42 1ou4 h LEU 76 Ca 0.22 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1ou4 h LEU 76 Cb 0.16 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1ou4 h LEU 76 CO -0.02 0.68 -0.05 0.40 0.09 0.00 0.00 178.44 179.53 1ou4 h ILE 77 N 0.91 1.33 0.00 1.22 1.08 -1.29 -2.29 117.51 118.47 1ou4 h ILE 77 Ca 0.23 -1.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 1ou4 h ILE 77 Cb 0.04 1.87 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 1ou4 h ILE 77 CO -0.04 0.31 -0.84 0.71 -0.69 0.00 0.00 178.15 177.60 1ou4 h THR 78 N -0.17 0.00 0.00 -0.27 1.35 -1.35 -3.34 112.91 109.13 1ou4 h THR 78 Ca 0.02 -0.81 -0.02 0.00 -0.55 0.00 0.00 66.41 65.05 1ou4 h THR 78 Cb 0.52 1.35 -0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1ou4 h THR 78 CO 0.02 0.00 -1.35 0.47 -0.25 0.00 0.00 175.52 174.40 1ou4 n ASP 79 N -2.48 3.35 -0.13 5.36 10.43 -0.35 -4.72 116.55 128.01 1ou4 n ASP 79 Ca 0.01 0.00 0.07 0.00 2.57 0.00 0.00 54.79 57.44 1ou4 n ASP 79 Cb 0.51 1.23 0.11 0.00 1.84 0.00 0.00 41.12 44.80 1ou4 n ASP 79 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1ou4 n PHE 80 N -1.83 0.08 -1.38 1.24 3.01 -0.91 -4.61 117.46 113.07 1ou4 n PHE 80 Ca -0.03 -0.82 -0.13 0.00 1.01 0.00 0.00 57.45 57.48 1ou4 n PHE 80 Cb 0.27 -0.13 -0.06 0.00 -0.01 0.00 0.00 39.48 39.56 1ou4 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ou4 n GLY 81 N -1.02 1.30 3.73 1.37 0.00 -1.18 -4.63 105.19 104.75 1ou4 n GLY 81 Ca 0.11 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1ou4 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ou4 s VAL 82 N -2.23 2.52 -0.21 1.61 1.01 -0.95 -4.77 120.40 117.39 1ou4 s VAL 82 Ca 0.00 0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.46 1ou4 s VAL 82 Cb 0.00 -3.25 -0.19 0.00 0.00 0.00 0.00 36.38 32.94 1ou4 s VAL 82 CO 0.00 0.04 -0.08 0.29 0.00 0.00 0.00 175.10 175.35 1ou4 n LYS 83 N 3.53 0.78 -4.50 2.72 4.01 -0.27 -4.52 118.16 119.91 1ou4 n LYS 83 Ca 0.12 0.07 -0.22 0.00 -0.51 0.00 0.00 58.31 57.77 1ou4 n LYS 83 Cb 0.38 -1.47 -0.16 0.00 -0.51 0.00 0.00 35.03 33.28 1ou4 n LYS 83 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1ou4 s LYS 84 N -2.46 1.15 -0.07 1.97 1.02 -0.61 -1.52 119.74 119.22 1ou4 s LYS 84 Ca -0.21 -0.38 0.04 0.00 0.02 0.00 0.00 55.97 55.44 1ou4 s LYS 84 Cb 0.07 -1.05 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 1ou4 s LYS 84 CO 0.64 0.15 -0.20 0.42 -0.92 0.00 0.00 175.35 175.45 1ou4 s ILE 85 N 0.12 1.67 -0.23 2.17 -1.09 -0.76 -0.23 121.20 122.86 1ou4 s ILE 85 Ca -0.03 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 1ou4 s ILE 85 Cb -0.09 -1.45 0.06 0.00 -1.58 0.00 0.00 42.46 39.40 1ou4 s ILE 85 CO 0.01 0.47 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.52 1ou4 s ILE 86 N 0.23 1.35 -0.03 2.92 1.01 0.13 -2.04 121.20 124.78 1ou4 s ILE 86 Ca -0.11 -1.09 -0.25 0.00 0.00 0.00 0.00 60.65 59.20 1ou4 s ILE 86 Cb -0.15 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 1ou4 s ILE 86 CO 0.05 -0.11 0.76 -0.60 0.00 0.00 0.00 174.94 175.03 1ou4 s ARG 87 N 1.48 4.47 -0.20 2.79 3.52 -0.27 -0.75 118.95 130.00 1ou4 s ARG 87 Ca -0.05 1.00 0.01 0.00 -0.13 0.00 0.00 55.73 56.56 1ou4 s ARG 87 Cb -0.18 -3.43 0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1ou4 s ARG 87 CO -0.06 0.11 -0.09 0.14 -0.81 0.00 0.00 175.30 174.59 1ou4 s VAL 88 N 0.60 1.52 0.00 7.11 -7.23 -0.68 -0.91 120.40 120.80 1ou4 s VAL 88 Ca 0.40 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 1ou4 s VAL 88 Cb -0.19 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.11 1ou4 s VAL 88 CO 0.21 0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 1ou4 n GLY 89 N 4.72 3.50 3.72 2.32 0.00 -0.89 -3.90 105.19 114.66 1ou4 n GLY 89 Ca -0.14 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 1ou4 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ou4 s SER 90 N 1.83 4.13 0.07 1.61 1.04 -1.26 -1.56 113.70 119.56 1ou4 s SER 90 Ca 0.00 -1.44 -0.26 0.00 0.48 0.00 0.00 55.95 54.73 1ou4 s SER 90 Cb 0.00 0.05 0.08 0.00 0.10 0.00 0.00 66.02 66.25 1ou4 s SER 90 CO 0.00 -0.69 0.70 0.00 0.98 0.00 0.00 173.24 174.23 1ou4 s GLY 92 N -2.33 1.95 0.19 0.00 0.00 -0.76 -1.44 107.32 104.94 1ou4 s GLY 92 Ca -0.00 -0.61 0.11 0.00 0.00 0.00 0.00 44.72 44.21 1ou4 s GLY 92 CO -0.07 -0.52 -0.19 0.00 0.00 0.00 0.00 173.10 172.32 1ou4 s ALA 93 N -1.91 2.69 0.00 3.20 0.00 -0.44 -0.00 121.76 125.29 1ou4 s ALA 93 Ca 0.42 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1ou4 s ALA 93 Cb -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1ou4 s ALA 93 CO 0.28 0.43 0.00 1.33 0.00 0.00 0.00 175.76 177.80 1ou4 n VAL 94 N 0.15 0.00 -3.02 0.00 0.24 -1.26 -1.39 118.33 113.05 1ou4 n VAL 94 Ca -0.12 -0.14 -0.40 0.00 -2.04 0.00 0.00 64.34 61.65 1ou4 n VAL 94 Cb 0.56 0.62 -0.05 0.00 -1.47 0.00 0.00 33.84 33.50 1ou4 n VAL 94 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1ou4 s LEU 95 N -2.48 4.34 0.20 1.34 1.43 -1.26 -4.86 118.68 117.39 1ou4 s LEU 95 Ca 0.00 1.25 -0.10 0.00 -1.03 0.00 0.00 54.13 54.25 1ou4 s LEU 95 Cb 0.00 -3.13 0.21 0.00 0.03 0.00 0.00 46.19 43.30 1ou4 s LEU 95 CO 0.00 -0.11 1.80 -0.65 0.23 0.00 0.00 176.35 177.62 1ou4 h PRO 96 N 6.64 0.61 -0.34 1.29 0.11 -1.99 -1.98 132.00 136.35 1ou4 h PRO 96 Ca -0.41 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ou4 h PRO 96 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ou4 h PRO 96 CO 0.75 0.41 0.00 -2.39 -0.21 0.00 0.00 178.00 176.55 1ou4 n HIS 97 N -4.82 0.00 -3.71 0.65 1.44 -1.26 -4.49 115.22 103.03 1ou4 n HIS 97 Ca 0.07 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.41 1ou4 n HIS 97 Cb 0.17 -0.03 -0.11 0.00 0.12 0.00 0.00 29.99 30.13 1ou4 n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1ou4 s VAL 98 N -1.60 3.58 0.66 0.61 1.01 -0.74 -5.09 120.40 118.83 1ou4 s VAL 98 Ca 0.00 -1.89 -0.12 0.00 0.00 0.00 0.00 61.98 59.97 1ou4 s VAL 98 Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1ou4 s VAL 98 CO 0.00 -0.66 1.05 -0.54 0.00 0.00 0.00 175.10 174.95 1ou4 s LYS 99 N 1.23 3.13 0.31 2.72 -0.14 -1.26 -4.86 119.74 120.86 1ou4 s LYS 99 Ca 0.06 1.00 -0.29 0.00 -1.36 0.00 0.00 55.97 55.39 1ou4 s LYS 99 Cb -0.23 -2.01 -0.10 0.00 -1.68 0.00 0.00 37.83 33.80 1ou4 s LYS 99 CO -0.03 -0.95 1.37 -1.17 -0.76 0.00 0.00 175.35 173.81 1ou4 s LEU 100 N -5.19 4.40 0.00 3.17 2.96 -1.26 -2.55 118.68 120.21 1ou4 s LEU 100 Ca 0.59 2.72 0.00 0.00 -0.22 0.00 0.00 54.13 57.23 1ou4 s LEU 100 Cb -0.14 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.91 1ou4 s LEU 100 CO 0.49 -0.63 0.00 0.54 -1.32 0.00 0.00 176.35 175.44 1ou4 n ARG 101 N 1.23 0.00 -1.70 1.98 1.74 0.26 -4.96 116.66 115.21 1ou4 n ARG 101 Ca 0.02 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.77 1ou4 n ARG 101 Cb 0.41 -2.47 0.05 0.00 -1.02 0.00 0.00 32.46 29.43 1ou4 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ou4 s ASP 102 N -2.45 5.02 -0.27 0.55 1.01 -1.06 -4.60 116.67 114.88 1ou4 s ASP 102 Ca 0.00 1.99 -0.11 0.00 0.71 0.00 0.00 52.55 55.15 1ou4 s ASP 102 Cb 0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 1ou4 s ASP 102 CO 0.00 -1.69 0.18 -0.69 0.21 0.00 0.00 175.17 173.18 1ou4 s VAL 103 N -2.38 5.25 -0.10 -1.27 1.01 -1.26 -1.34 120.40 120.30 1ou4 s VAL 103 Ca 0.67 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.81 1ou4 s VAL 103 Cb -0.20 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1ou4 s VAL 103 CO 0.43 0.28 -0.14 -0.69 0.00 0.00 0.00 175.10 174.97 1ou4 s VAL 104 N 1.61 3.00 -0.16 2.92 1.01 0.51 -1.21 120.40 128.07 1ou4 s VAL 104 Ca 0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1ou4 s VAL 104 Cb -0.15 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1ou4 s VAL 104 CO 0.09 0.55 -0.05 -0.63 0.00 0.00 0.00 175.10 175.06 1ou4 s ILE 105 N -0.00 3.74 -0.83 2.22 -1.09 0.56 -0.84 121.20 124.96 1ou4 s ILE 105 Ca -0.04 -0.41 -0.19 0.00 -2.23 0.00 0.00 60.65 57.78 1ou4 s ILE 105 Cb -0.14 -2.64 0.12 0.00 -1.58 0.00 0.00 42.46 38.22 1ou4 s ILE 105 CO 0.04 0.49 1.03 -0.83 -1.23 0.00 0.00 174.94 174.44 1ou4 s GLY 106 N 0.44 1.85 0.37 6.18 0.00 0.08 -2.49 107.32 113.75 1ou4 s GLY 106 Ca -0.05 -2.56 0.18 0.00 0.00 0.00 0.00 44.72 42.30 1ou4 s GLY 106 CO 0.03 1.93 1.74 1.98 0.00 0.00 0.00 173.10 178.78 1ou4 h MET 107 N 8.96 0.00 -4.01 2.90 4.05 -1.57 -3.40 114.93 121.85 1ou4 h MET 107 Ca 0.02 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.31 1ou4 h MET 107 Cb 1.04 0.00 -0.13 0.00 -0.80 0.00 0.00 31.60 31.71 1ou4 h MET 107 CO 1.10 0.38 -0.39 0.20 0.23 0.00 0.00 176.91 178.43 1ou4 s GLY 108 N -4.35 0.61 -0.19 1.39 0.00 -1.15 -2.09 107.32 101.53 1ou4 s GLY 108 Ca -0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 43.64 1ou4 s GLY 108 CO 0.69 -0.96 0.30 0.00 0.00 0.00 0.00 173.10 173.13 1ou4 s ALA 109 N -3.99 -0.67 0.83 3.20 0.00 -0.49 -1.61 121.76 119.04 1ou4 s ALA 109 Ca 0.19 0.76 -0.12 0.00 0.00 0.00 0.00 51.96 52.79 1ou4 s ALA 109 Cb 0.04 -1.33 0.09 0.00 0.00 0.00 0.00 23.12 21.92 1ou4 s ALA 109 CO 0.01 -1.01 1.16 0.00 0.00 0.00 0.00 175.76 175.92 1ou4 s THR 111 N -3.48 0.00 -0.59 0.00 -1.32 -1.26 -0.62 115.64 108.36 1ou4 s THR 111 Ca 0.62 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.24 1ou4 s THR 111 Cb -0.12 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.30 1ou4 s THR 111 CO 0.50 0.00 1.35 -0.90 -2.21 0.00 0.00 174.62 173.37 1ou4 n ASP 112 N 0.09 3.48 -4.91 8.08 3.85 -1.22 -4.98 116.55 120.94 1ou4 n ASP 112 Ca -0.09 -2.49 -0.27 0.00 -0.71 0.00 0.00 54.79 51.23 1ou4 n ASP 112 Cb 0.60 -0.39 -0.00 0.00 -1.35 0.00 0.00 41.12 39.98 1ou4 n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1ou4 s SER 113 N -1.41 6.27 0.00 -1.12 0.15 -1.26 -4.87 113.70 111.45 1ou4 s SER 113 Ca 0.33 0.91 0.20 0.00 0.70 0.00 0.00 55.95 58.10 1ou4 s SER 113 Cb 0.23 -2.24 0.14 0.00 -1.71 0.00 0.00 66.02 62.44 1ou4 s SER 113 CO 0.13 -0.56 1.13 1.17 1.20 0.00 0.00 173.24 176.30 1ou4 n LYS 114 N -2.22 1.80 -0.28 5.44 4.81 -1.26 -4.63 118.16 121.82 1ou4 n LYS 114 Ca 0.00 -1.61 0.00 0.00 -0.87 0.00 0.00 58.31 55.83 1ou4 n LYS 114 Cb 0.55 -1.39 0.13 0.00 0.02 0.00 0.00 35.03 34.34 1ou4 n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1ou4 h VAL 115 N 3.77 1.00 -0.04 3.15 -1.51 -2.00 -2.09 116.25 118.54 1ou4 h VAL 115 Ca 0.00 -0.29 -0.16 0.00 -1.23 0.00 0.00 66.70 65.03 1ou4 h VAL 115 Cb 0.83 0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.06 1ou4 h VAL 115 CO 0.00 0.15 -0.68 0.78 -1.23 0.00 0.00 177.57 176.59 1ou4 h ASN 116 N 0.84 0.20 -0.58 4.19 2.35 -1.94 -2.81 115.58 117.84 1ou4 h ASN 116 Ca 0.35 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.88 1ou4 h ASN 116 Cb 0.20 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1ou4 h ASN 116 CO -0.18 0.82 0.04 0.03 -1.65 0.00 0.00 177.43 176.49 1ou4 h ARG 117 N 0.12 1.02 -0.19 0.81 3.08 -1.71 0.18 114.38 117.68 1ou4 h ARG 117 Ca -0.02 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 1ou4 h ARG 117 Cb 1.22 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1ou4 h ARG 117 CO 0.10 0.97 0.08 0.82 -1.07 0.00 0.00 179.97 180.87 1ou4 h ILE 118 N 0.94 1.08 0.11 2.04 2.04 -1.29 0.32 117.51 122.76 1ou4 h ILE 118 Ca 0.18 -0.25 -0.29 0.00 1.00 0.00 0.00 64.86 65.50 1ou4 h ILE 118 Cb 0.49 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1ou4 h ILE 118 CO 0.02 0.09 -1.40 0.03 0.00 0.00 0.00 178.15 176.89 1ou4 h ARG 119 N 0.26 0.23 -1.07 2.37 3.08 -1.05 -3.39 114.38 114.81 1ou4 h ARG 119 Ca 0.07 -0.39 -0.67 0.00 0.07 0.00 0.00 59.98 59.06 1ou4 h ARG 119 Cb 0.06 0.14 -0.30 0.00 0.08 0.00 0.00 29.97 29.95 1ou4 h ARG 119 CO -0.01 1.11 0.69 0.34 -1.07 0.00 0.00 179.97 181.04 1ou4 n PHE 120 N -3.45 3.17 -3.22 3.04 7.35 0.54 -4.90 117.46 119.98 1ou4 n PHE 120 Ca -0.13 -2.89 -0.22 0.00 -0.76 0.00 0.00 57.45 53.46 1ou4 n PHE 120 Cb 1.03 -1.30 0.00 0.00 0.35 0.00 0.00 39.48 39.57 1ou4 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1ou4 n LYS 121 N -0.86 -3.57 -1.94 -4.13 4.76 -1.14 -1.01 118.16 110.27 1ou4 n LYS 121 Ca 0.60 0.56 -0.15 0.00 -2.87 0.00 0.00 58.31 56.45 1ou4 n LYS 121 Cb 0.65 -5.29 -0.03 0.00 -1.84 0.00 0.00 35.03 28.53 1ou4 n LYS 121 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1ou4 n ASP 122 N -2.29 -4.59 -4.83 4.39 2.03 0.11 -5.01 116.55 106.36 1ou4 n ASP 122 Ca -0.04 0.14 -0.25 0.00 0.52 0.00 0.00 54.79 55.15 1ou4 n ASP 122 Cb 0.56 -3.59 0.01 0.00 -0.72 0.00 0.00 41.12 37.38 1ou4 n ASP 122 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1ou4 n HIS 123 N -3.44 -0.76 -2.88 -0.67 8.25 -0.18 -5.02 115.22 110.52 1ou4 n HIS 123 Ca -0.16 -2.30 -0.43 0.00 -0.26 0.00 0.00 57.72 54.57 1ou4 n HIS 123 Cb 0.57 -0.46 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 1ou4 n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ou4 s ASP 124 N -4.25 6.56 -0.19 0.41 -0.00 -1.26 -4.58 116.67 113.36 1ou4 s ASP 124 Ca 0.34 0.31 -0.08 0.00 -0.00 0.00 0.00 52.55 53.11 1ou4 s ASP 124 Cb -0.03 -2.43 -0.04 0.00 -0.00 0.00 0.00 42.92 40.42 1ou4 s ASP 124 CO 0.22 -0.86 0.09 0.12 -0.00 0.00 0.00 175.17 174.73 1ou4 s PHE 125 N 3.38 3.32 -0.70 4.23 5.36 -1.26 -5.04 117.98 127.26 1ou4 s PHE 125 Ca 0.34 0.18 -0.21 0.00 -0.96 0.00 0.00 56.93 56.29 1ou4 s PHE 125 Cb -0.12 -2.10 0.09 0.00 -0.34 0.00 0.00 43.02 40.56 1ou4 s PHE 125 CO 0.20 0.23 0.93 0.00 -1.46 0.00 0.00 175.22 175.12 1ou4 s ALA 126 N 0.31 3.26 -0.52 11.12 0.00 -1.26 -4.98 121.76 129.69 1ou4 s ALA 126 Ca 0.05 -2.17 -0.27 0.00 0.00 0.00 0.00 51.96 49.57 1ou4 s ALA 126 Cb -0.12 -3.81 -0.02 0.00 0.00 0.00 0.00 23.12 19.17 1ou4 s ALA 126 CO -0.01 -2.70 1.83 0.00 0.00 0.00 0.00 175.76 174.88 1ou4 s ALA 127 N 3.34 2.41 0.28 0.00 0.00 -1.26 -4.96 121.76 121.57 1ou4 s ALA 127 Ca 0.22 -0.35 0.10 0.00 0.00 0.00 0.00 51.96 51.93 1ou4 s ALA 127 Cb -0.16 -4.20 -0.05 0.00 0.00 0.00 0.00 23.12 18.71 1ou4 s ALA 127 CO 0.05 -3.46 -0.15 0.96 0.00 0.00 0.00 175.76 173.15 1ou4 s ILE 128 N 8.31 2.19 0.67 0.00 -4.36 -1.26 -1.39 121.20 125.36 1ou4 s ILE 128 Ca 0.71 -2.30 -0.03 0.00 -0.26 0.00 0.00 60.65 58.77 1ou4 s ILE 128 Cb -0.16 -2.34 0.08 0.00 1.25 0.00 0.00 42.46 41.29 1ou4 s ILE 128 CO 0.25 -0.38 0.94 0.00 0.24 0.00 0.00 174.94 175.99 1ou4 s ALA 129 N -2.68 3.49 -0.02 2.27 0.00 -0.89 -4.86 121.76 119.07 1ou4 s ALA 129 Ca 0.29 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 1ou4 s ALA 129 Cb -0.02 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.78 1ou4 s ALA 129 CO 0.13 -1.22 1.21 0.34 0.00 0.00 0.00 175.76 176.23 1ou4 s ASP 130 N -4.56 7.05 0.17 0.00 -1.08 -0.65 -4.94 116.67 112.66 1ou4 s ASP 130 Ca 0.61 1.89 -0.14 0.00 -0.52 0.00 0.00 52.55 54.39 1ou4 s ASP 130 Cb -0.09 -2.56 0.14 0.00 -1.46 0.00 0.00 42.92 38.94 1ou4 s ASP 130 CO 0.43 -0.55 1.74 0.15 0.52 0.00 0.00 175.17 177.45 1ou4 h PHE 131 N 7.29 0.21 -0.77 -5.34 3.57 -1.95 -2.29 116.94 117.65 1ou4 h PHE 131 Ca -0.37 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.16 1ou4 h PHE 131 Cb 1.18 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 1ou4 h PHE 131 CO 0.71 0.05 0.50 -0.44 -2.23 0.00 0.00 178.31 176.91 1ou4 h ASP 132 N 0.27 0.89 -0.35 0.41 3.45 -1.99 -1.38 116.42 117.72 1ou4 h ASP 132 Ca 0.21 -0.03 -0.07 0.00 0.43 0.00 0.00 57.03 57.58 1ou4 h ASP 132 Cb 0.24 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.77 1ou4 h ASP 132 CO -0.25 0.65 -0.01 0.24 -1.57 0.00 0.00 179.24 178.30 1ou4 h MET 133 N 1.04 0.72 -0.31 3.56 2.86 -1.83 0.17 114.93 121.15 1ou4 h MET 133 Ca 0.28 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1ou4 h MET 133 Cb -0.11 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1ou4 h MET 133 CO -0.06 0.75 0.05 0.28 1.06 0.00 0.00 176.91 178.99 1ou4 h VAL 134 N 0.68 1.23 -0.10 -2.22 2.07 -0.76 -2.03 116.25 115.12 1ou4 h VAL 134 Ca 0.13 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 1ou4 h VAL 134 Cb 0.44 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1ou4 h VAL 134 CO 0.02 0.27 -0.48 -0.09 0.02 0.00 0.00 177.57 177.31 1ou4 h ARG 135 N 0.34 0.24 -0.15 1.57 2.43 -1.04 -2.00 114.38 115.77 1ou4 h ARG 135 Ca 0.09 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1ou4 h ARG 135 Cb 0.34 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1ou4 h ARG 135 CO 0.01 0.67 0.07 -0.91 -1.51 0.00 0.00 179.97 178.30 1ou4 h ASN 136 N 0.20 0.19 -0.72 -3.80 2.35 -0.81 -0.98 115.58 112.01 1ou4 h ASN 136 Ca 0.01 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1ou4 h ASN 136 Cb 0.92 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.21 1ou4 h ASN 136 CO 0.07 0.24 0.41 0.00 -1.65 0.00 0.00 177.43 176.51 1ou4 h ALA 137 N 0.95 0.92 -0.57 -0.83 0.00 -1.27 0.25 119.26 118.71 1ou4 h ALA 137 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ou4 h ALA 137 Cb 0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1ou4 h ALA 137 CO -0.01 0.41 0.31 0.28 0.00 0.00 0.00 179.25 180.23 1ou4 h VAL 138 N 0.98 1.19 -0.06 0.00 2.07 -1.13 -0.56 116.25 118.75 1ou4 h VAL 138 Ca 0.25 -0.49 -0.13 0.00 0.82 0.00 0.00 66.70 67.15 1ou4 h VAL 138 Cb -0.00 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1ou4 h VAL 138 CO -0.04 0.21 -0.56 0.44 0.02 0.00 0.00 177.57 177.63 1ou4 h ASP 139 N 0.77 0.20 -0.44 0.57 3.45 -0.80 -1.46 116.42 118.70 1ou4 h ASP 139 Ca 0.20 -0.11 -0.15 0.00 0.43 0.00 0.00 57.03 57.41 1ou4 h ASP 139 Cb 0.06 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1ou4 h ASP 139 CO -0.03 0.72 -0.29 0.00 -1.57 0.00 0.00 179.24 178.06 1ou4 h ALA 140 N 1.28 0.64 -0.30 3.45 0.00 -0.69 -1.45 119.26 122.19 1ou4 h ALA 140 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1ou4 h ALA 140 Cb 1.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1ou4 h ALA 140 CO 0.08 0.68 0.15 0.00 0.00 0.00 0.00 179.25 180.16 1ou4 h ALA 141 N 0.83 0.39 -0.52 0.00 0.00 -0.91 -2.28 119.26 116.77 1ou4 h ALA 141 Ca 0.09 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ou4 h ALA 141 Cb 0.88 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1ou4 h ALA 141 CO 0.08 -0.06 0.34 -0.22 0.00 0.00 0.00 179.25 179.39 1ou4 h LYS 142 N 0.36 0.68 0.00 0.00 1.63 -1.13 0.24 116.57 118.35 1ou4 h LYS 142 Ca 0.10 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1ou4 h LYS 142 Cb 0.10 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.58 1ou4 h LYS 142 CO -0.01 0.45 -0.04 0.00 -3.45 0.00 0.00 179.45 176.39 1ou4 h ALA 143 N 1.19 1.58 -0.63 5.00 0.00 -1.03 -0.85 119.26 124.52 1ou4 h ALA 143 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ou4 h ALA 143 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ou4 h ALA 143 CO -0.05 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1ou4 n LEU 144 N -3.98 3.70 0.00 0.00 4.77 -0.77 -4.91 117.00 115.80 1ou4 n LEU 144 Ca -0.03 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 1ou4 n LEU 144 Cb 0.13 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1ou4 n LEU 144 CO 0.30 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 1ou4 n GLY 145 N 1.39 0.83 3.62 -0.72 0.00 -0.33 -4.96 105.19 105.03 1ou4 n GLY 145 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1ou4 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ou4 s ILE 146 N -2.68 4.84 -0.02 -0.61 -1.09 0.00 -4.96 121.20 116.68 1ou4 s ILE 146 Ca 0.00 1.22 -0.21 0.00 -2.23 0.00 0.00 60.65 59.42 1ou4 s ILE 146 Cb 0.00 -4.10 -0.05 0.00 -1.58 0.00 0.00 42.46 36.73 1ou4 s ILE 146 CO 0.00 -0.17 0.62 1.51 -1.23 0.00 0.00 174.94 175.67 1ou4 s ASP 147 N 1.55 6.98 0.15 3.58 3.84 -1.26 -3.44 116.67 128.07 1ou4 s ASP 147 Ca 0.31 1.17 0.07 0.00 -0.00 0.00 0.00 52.55 54.11 1ou4 s ASP 147 Cb -0.15 -2.38 -0.04 0.00 -1.38 0.00 0.00 42.92 38.98 1ou4 s ASP 147 CO 0.11 0.05 -0.17 0.00 -0.00 0.00 0.00 175.17 175.17 1ou4 s ALA 148 N 0.03 1.82 -0.11 2.11 0.00 -1.26 -4.38 121.76 119.96 1ou4 s ALA 148 Ca 0.32 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.83 1ou4 s ALA 148 Cb -0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1ou4 s ALA 148 CO 0.17 0.18 -0.00 0.50 0.00 0.00 0.00 175.76 176.61 1ou4 s ARG 149 N -2.78 3.26 -0.13 0.00 6.06 -0.35 -4.99 118.95 120.03 1ou4 s ARG 149 Ca 0.13 -0.43 -0.01 0.00 -2.50 0.00 0.00 55.73 52.93 1ou4 s ARG 149 Cb -0.05 -2.87 -0.02 0.00 0.06 0.00 0.00 34.95 32.07 1ou4 s ARG 149 CO 0.05 0.54 -0.10 0.08 -2.50 0.00 0.00 175.30 173.38 1ou4 s VAL 150 N -0.44 3.35 -1.22 7.11 1.01 -1.26 -0.32 120.40 128.62 1ou4 s VAL 150 Ca 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1ou4 s VAL 150 Cb -0.12 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.84 1ou4 s VAL 150 CO 0.02 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1ou4 n GLY 151 N 3.32 -0.71 3.86 4.51 0.00 -1.04 -4.96 105.19 110.18 1ou4 n GLY 151 Ca -0.18 -0.44 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1ou4 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ou4 s ASN 152 N -4.00 6.70 0.35 1.61 0.01 -1.26 -1.46 114.94 116.89 1ou4 s ASN 152 Ca 0.00 1.10 0.08 0.00 -0.71 0.00 0.00 52.86 53.33 1ou4 s ASN 152 Cb 0.00 -2.30 -0.07 0.00 0.41 0.00 0.00 41.25 39.29 1ou4 s ASN 152 CO 0.00 -0.13 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.65 1ou4 s LEU 153 N -2.87 2.69 -0.10 0.60 1.43 -0.63 -0.91 118.68 118.89 1ou4 s LEU 153 Ca 0.50 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1ou4 s LEU 153 Cb -0.11 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.27 1ou4 s LEU 153 CO 0.19 -0.33 -0.09 0.12 0.23 0.00 0.00 176.35 176.47 1ou4 s PHE 154 N -2.76 1.50 -0.51 0.29 5.36 -0.42 -0.11 117.98 121.32 1ou4 s PHE 154 Ca 0.33 -0.69 -0.15 0.00 -0.96 0.00 0.00 56.93 55.45 1ou4 s PHE 154 Cb 0.05 -1.19 0.11 0.00 -0.34 0.00 0.00 43.02 41.65 1ou4 s PHE 154 CO 0.16 -0.44 0.45 -1.12 -1.46 0.00 0.00 175.22 172.80 1ou4 s SER 155 N 1.36 6.15 0.28 6.13 0.01 0.21 -1.36 113.70 126.48 1ou4 s SER 155 Ca -0.01 -1.60 -0.16 0.00 1.31 0.00 0.00 55.95 55.49 1ou4 s SER 155 Cb -0.14 -2.19 -0.09 0.00 0.21 0.00 0.00 66.02 63.82 1ou4 s SER 155 CO -0.05 -0.76 0.72 0.00 0.41 0.00 0.00 173.24 173.57 1ou4 s ALA 156 N 1.61 3.36 -0.08 1.44 0.00 -0.17 -3.44 121.76 124.48 1ou4 s ALA 156 Ca 0.03 0.07 0.15 0.00 0.00 0.00 0.00 51.96 52.21 1ou4 s ALA 156 Cb -0.27 -2.77 -0.17 0.00 0.00 0.00 0.00 23.12 19.90 1ou4 s ALA 156 CO 0.04 0.34 0.79 -0.44 0.00 0.00 0.00 175.76 176.50 1ou4 h ASP 157 N 2.67 0.00 -3.84 0.00 3.45 -1.89 -3.41 116.42 113.39 1ou4 h ASP 157 Ca -0.48 0.00 -0.66 0.00 0.43 0.00 0.00 57.03 56.32 1ou4 h ASP 157 Cb 1.18 0.00 -0.37 0.00 -0.56 0.00 0.00 39.33 39.58 1ou4 h ASP 157 CO 0.65 0.77 -0.80 -0.76 -1.57 0.00 0.00 179.24 177.54 1ou4 s LEU 158 N -5.97 3.34 0.29 1.55 1.43 -1.26 -4.97 118.68 113.10 1ou4 s LEU 158 Ca -0.03 -1.37 -0.02 0.00 -1.03 0.00 0.00 54.13 51.68 1ou4 s LEU 158 Cb 0.08 -1.51 0.44 0.00 0.03 0.00 0.00 46.19 45.23 1ou4 s LEU 158 CO 0.82 -0.19 1.94 0.15 0.23 0.00 0.00 176.35 179.29 1ou4 h PHE 159 N 7.79 1.08 -2.94 0.29 3.04 -1.98 -2.97 116.94 121.25 1ou4 h PHE 159 Ca -0.19 0.03 -0.75 0.00 3.98 0.00 0.00 57.97 61.03 1ou4 h PHE 159 Cb 1.04 -0.36 -0.32 0.00 2.56 0.00 0.00 35.95 38.87 1ou4 h PHE 159 CO 0.62 0.65 0.35 0.66 -2.02 0.00 0.00 178.31 178.57 1ou4 n TYR 160 N -4.43 3.28 -2.33 0.41 4.01 -1.26 -5.05 117.16 111.79 1ou4 n TYR 160 Ca 0.11 -3.31 -0.41 0.00 -0.16 0.00 0.00 57.90 54.13 1ou4 n TYR 160 Cb 0.07 -1.18 -0.03 0.00 -0.31 0.00 0.00 39.34 37.89 1ou4 n TYR 160 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ou4 s SER 161 N -1.19 7.05 0.43 7.72 0.15 -1.12 -4.92 113.70 121.81 1ou4 s SER 161 Ca 0.32 2.34 0.30 0.00 0.70 0.00 0.00 55.95 59.61 1ou4 s SER 161 Cb 0.03 -2.62 1.39 0.00 -1.71 0.00 0.00 66.02 63.10 1ou4 s SER 161 CO 0.02 -0.37 1.90 -0.65 1.20 0.00 0.00 173.24 175.34 1ou4 h PRO 162 N 4.68 0.00 -5.08 5.44 0.11 -1.97 -3.41 132.00 131.78 1ou4 h PRO 162 Ca -0.46 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.01 1ou4 h PRO 162 Cb 1.22 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 32.11 1ou4 h PRO 162 CO 0.72 0.00 -0.64 0.34 -0.21 0.00 0.00 178.00 178.21 1ou4 s ASP 163 N -4.81 5.02 -0.00 -2.05 -1.08 -1.26 -4.96 116.67 107.53 1ou4 s ASP 163 Ca 0.00 -0.17 0.20 0.00 -0.52 0.00 0.00 52.55 52.06 1ou4 s ASP 163 Cb 0.09 -1.87 -0.22 0.00 -1.46 0.00 0.00 42.92 39.46 1ou4 s ASP 163 CO 0.41 0.04 0.83 0.61 0.52 0.00 0.00 175.17 177.58 1ou4 n GLY 164 N 4.39 -0.87 0.22 2.66 0.00 -1.26 -4.28 105.19 106.05 1ou4 n GLY 164 Ca -0.17 -0.56 0.14 0.00 0.00 0.00 0.00 46.02 45.43 1ou4 n GLY 164 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ou4 h GLU 165 N 0.00 0.00 -0.02 1.61 4.81 -1.98 -3.22 114.58 115.78 1ou4 h GLU 165 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1ou4 h GLU 165 Cb 0.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 1ou4 h GLU 165 CO 0.00 0.00 -0.27 1.98 -0.73 0.00 0.00 179.01 179.99 1ou4 h MET 166 N 0.00 0.03 0.00 1.92 4.05 -2.01 -2.33 114.93 116.59 1ou4 h MET 166 Ca 0.00 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1ou4 h MET 166 Cb 0.80 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 1ou4 h MET 166 CO 0.00 0.30 -0.22 0.74 0.23 0.00 0.00 176.91 177.96 1ou4 h PHE 167 N 0.03 0.00 -0.11 1.39 -1.00 -1.85 0.22 116.94 115.62 1ou4 h PHE 167 Ca 0.00 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.73 1ou4 h PHE 167 Cb 0.49 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.05 1ou4 h PHE 167 CO 0.00 0.22 -0.15 -0.44 -1.61 0.00 0.00 178.31 176.33 1ou4 h ASP 168 N 0.00 0.32 -0.92 2.17 3.45 -1.62 -2.10 116.42 117.73 1ou4 h ASP 168 Ca -0.00 -0.51 0.03 0.00 0.43 0.00 0.00 57.03 56.97 1ou4 h ASP 168 Cb 0.44 -0.09 -0.05 0.00 -0.56 0.00 0.00 39.33 39.07 1ou4 h ASP 168 CO 0.03 0.77 0.60 0.58 -1.57 0.00 0.00 179.24 179.66 1ou4 h VAL 169 N -0.12 1.18 -0.13 -1.35 2.07 -1.29 -1.18 116.25 115.43 1ou4 h VAL 169 Ca 0.01 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1ou4 h VAL 169 Cb 0.70 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1ou4 h VAL 169 CO 0.03 0.21 0.05 0.24 0.02 0.00 0.00 177.57 178.13 1ou4 h MET 170 N 1.17 0.20 -0.64 1.57 2.86 -0.88 -2.63 114.93 116.59 1ou4 h MET 170 Ca 0.36 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.98 1ou4 h MET 170 Cb -0.02 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 1ou4 h MET 170 CO -0.10 0.32 0.39 1.49 1.06 0.00 0.00 176.91 180.07 1ou4 h GLU 171 N 0.04 0.75 -0.12 1.72 4.81 -0.95 -2.10 114.58 118.74 1ou4 h GLU 171 Ca 0.04 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1ou4 h GLU 171 Cb 0.20 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1ou4 h GLU 171 CO -0.00 0.50 0.08 -0.22 -0.73 0.00 0.00 179.01 178.63 1ou4 h LYS 172 N 0.77 0.12 -0.61 1.92 3.64 -1.08 -2.23 116.57 119.10 1ou4 h LYS 172 Ca 0.25 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1ou4 h LYS 172 Cb 0.02 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1ou4 h LYS 172 CO -0.10 0.08 0.00 0.66 -2.27 0.00 0.00 179.45 177.82 1ou4 n TYR 173 N -4.52 1.86 -1.13 1.91 4.01 -0.84 -4.96 117.16 113.49 1ou4 n TYR 173 Ca -0.01 -0.69 -0.04 0.00 -0.16 0.00 0.00 57.90 57.00 1ou4 n TYR 173 Cb 0.11 -0.41 -0.02 0.00 -0.31 0.00 0.00 39.34 38.71 1ou4 n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ou4 n GLY 174 N 0.82 0.70 3.69 2.72 0.00 -0.84 -4.99 105.19 107.29 1ou4 n GLY 174 Ca 0.27 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 1ou4 n GLY 174 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ou4 n ILE 175 N -2.71 0.10 0.03 -0.61 -0.00 -0.90 -4.59 119.36 110.68 1ou4 n ILE 175 Ca -0.04 -0.02 -0.10 0.00 -0.00 0.00 0.00 62.75 62.59 1ou4 n ILE 175 Cb 0.23 -1.82 -0.13 0.00 -0.00 0.00 0.00 39.64 37.92 1ou4 n ILE 175 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 1ou4 h LEU 176 N 6.88 0.09 -7.11 1.39 3.38 -1.38 -3.41 115.31 115.16 1ou4 h LEU 176 Ca -0.45 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.34 1ou4 h LEU 176 Cb 1.23 -0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 1ou4 h LEU 176 CO 0.93 1.12 0.12 -0.83 0.09 0.00 0.00 178.44 179.86 1ou4 s GLY 177 N -4.95 -0.51 -0.16 0.83 0.00 -1.25 -4.53 107.32 96.76 1ou4 s GLY 177 Ca -0.04 0.65 -0.00 0.00 0.00 0.00 0.00 44.72 45.33 1ou4 s GLY 177 CO 0.83 0.34 -0.14 0.14 0.00 0.00 0.00 173.10 174.26 1ou4 s VAL 178 N -2.74 2.77 0.00 1.40 1.01 0.99 -1.30 120.40 122.54 1ou4 s VAL 178 Ca -0.04 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1ou4 s VAL 178 Cb -0.00 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1ou4 s VAL 178 CO -0.04 0.51 0.00 -1.84 0.00 0.00 0.00 175.10 173.73 1ou4 n GLU 179 N 4.06 0.00 -1.24 2.72 -0.00 -0.46 -1.83 120.64 123.90 1ou4 n GLU 179 Ca -0.19 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.00 1ou4 n GLU 179 Cb 0.52 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.98 1ou4 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1ou4 n MET 180 N 0.00 0.08 0.00 3.44 2.81 -1.26 -1.00 117.12 121.18 1ou4 n MET 180 Ca 0.00 -1.85 0.00 0.00 -1.81 0.00 0.00 57.70 54.04 1ou4 n MET 180 Cb 0.00 -0.18 0.00 0.00 -0.71 0.00 0.00 33.22 32.33 1ou4 n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1ou4 n GLU 181 N 0.31 0.00 -0.39 0.03 4.71 -1.26 -2.08 120.64 121.95 1ou4 n GLU 181 Ca 0.05 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.15 1ou4 n GLU 181 Cb 1.03 -0.48 -0.01 0.00 -1.01 0.00 0.00 31.44 30.97 1ou4 n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ou4 n ALA 182 N -1.11 -0.32 0.03 0.62 0.00 -1.26 -0.69 120.51 117.77 1ou4 n ALA 182 Ca 0.00 0.93 0.08 0.00 0.00 0.00 0.00 53.44 54.45 1ou4 n ALA 182 Cb 0.00 -0.32 0.51 0.00 0.00 0.00 0.00 19.45 19.64 1ou4 n ALA 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ou4 h ALA 183 N 1.02 1.90 -0.08 0.00 0.00 -1.84 0.57 119.26 120.84 1ou4 h ALA 183 Ca 0.27 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1ou4 h ALA 183 Cb 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ou4 h ALA 183 CO -0.96 0.04 -0.31 0.78 0.00 0.00 0.00 179.25 178.80 1ou4 h GLY 184 N 0.37 0.39 1.12 0.00 0.00 -1.27 -2.53 103.07 101.15 1ou4 h GLY 184 Ca 0.16 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1ou4 h GLY 184 CO -0.04 0.47 0.17 -2.22 0.00 0.00 0.00 176.54 174.93 1ou4 h ILE 185 N -0.12 1.26 -0.13 2.60 2.04 -0.73 -2.29 117.51 120.14 1ou4 h ILE 185 Ca -0.02 -0.95 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 1ou4 h ILE 185 Cb 0.95 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1ou4 h ILE 185 CO 0.07 0.36 -0.23 1.88 0.00 0.00 0.00 178.15 180.23 1ou4 h TYR 186 N 1.04 0.24 -0.15 1.37 0.99 -0.94 -1.21 116.97 118.32 1ou4 h TYR 186 Ca 0.22 -0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.86 1ou4 h TYR 186 Cb 0.35 -0.06 -0.00 0.00 1.00 0.00 0.00 36.73 38.02 1ou4 h TYR 186 CO 0.03 0.45 -0.08 0.78 -0.00 0.00 0.00 178.16 179.34 1ou4 h GLY 187 N 0.92 0.34 0.99 3.88 0.00 -1.05 -2.46 103.07 105.68 1ou4 h GLY 187 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1ou4 h GLY 187 CO 0.04 0.28 0.12 -2.08 0.00 0.00 0.00 176.54 174.90 1ou4 h VAL 188 N -0.02 1.07 -0.59 4.60 2.07 -1.19 0.14 116.25 122.33 1ou4 h VAL 188 Ca 0.03 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.50 1ou4 h VAL 188 Cb 0.55 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 1ou4 h VAL 188 CO 0.02 0.06 0.20 0.00 0.02 0.00 0.00 177.57 177.88 1ou4 h ALA 189 N 1.05 0.75 -0.34 1.67 0.00 -1.24 -1.23 119.26 119.92 1ou4 h ALA 189 Ca 0.07 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1ou4 h ALA 189 Cb -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ou4 h ALA 189 CO -0.01 -0.22 -0.26 0.00 0.00 0.00 0.00 179.25 178.76 1ou4 h ALA 190 N 1.42 0.92 -0.47 0.00 0.00 -1.09 0.93 119.26 120.96 1ou4 h ALA 190 Ca 0.30 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1ou4 h ALA 190 Cb 0.38 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ou4 h ALA 190 CO -0.32 0.62 0.18 1.49 0.00 0.00 0.00 179.25 181.22 1ou4 h GLU 191 N 0.59 0.71 -0.46 0.00 4.81 -0.00 -3.21 114.58 117.02 1ou4 h GLU 191 Ca 0.08 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1ou4 h GLU 191 Cb 0.75 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1ou4 h GLU 191 CO 0.06 0.65 0.00 1.19 -0.73 0.00 0.00 179.01 180.18 1ou4 n PHE 192 N -4.57 1.41 -2.60 0.92 3.01 -0.56 -4.99 117.46 110.08 1ou4 n PHE 192 Ca 0.01 -0.73 -0.14 0.00 1.01 0.00 0.00 57.45 57.60 1ou4 n PHE 192 Cb 0.16 -0.34 0.02 0.00 -0.01 0.00 0.00 39.48 39.31 1ou4 n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ou4 n GLY 193 N 0.34 -0.09 2.52 1.37 0.00 -0.49 -5.01 105.19 103.83 1ou4 n GLY 193 Ca 0.24 -0.25 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 1ou4 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ou4 n ALA 194 N -2.56 0.48 -2.43 4.61 0.00 0.20 -5.02 120.51 115.79 1ou4 n ALA 194 Ca -0.09 -1.50 -0.31 0.00 0.00 0.00 0.00 53.44 51.53 1ou4 n ALA 194 Cb 0.59 0.68 -0.13 0.00 0.00 0.00 0.00 19.45 20.58 1ou4 n ALA 194 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ou4 s LYS 195 N -3.43 2.20 0.06 0.00 1.02 -0.58 -4.47 119.74 114.55 1ou4 s LYS 195 Ca 0.14 -0.89 -0.05 0.00 0.02 0.00 0.00 55.97 55.20 1ou4 s LYS 195 Cb -0.01 -2.21 -0.02 0.00 -0.52 0.00 0.00 37.83 35.07 1ou4 s LYS 195 CO 0.09 0.57 0.08 0.00 -0.92 0.00 0.00 175.35 175.17 1ou4 s ALA 196 N -0.80 0.12 -0.13 5.17 0.00 -1.26 -1.83 121.76 123.03 1ou4 s ALA 196 Ca 0.13 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 1ou4 s ALA 196 Cb -0.10 0.34 0.05 0.00 0.00 0.00 0.00 23.12 23.40 1ou4 s ALA 196 CO 0.02 -0.40 0.50 -1.17 0.00 0.00 0.00 175.76 174.71 1ou4 s LEU 197 N -2.70 0.09 -0.13 0.00 2.96 -0.86 -1.64 118.68 116.40 1ou4 s LEU 197 Ca 0.03 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 1ou4 s LEU 197 Cb 0.05 1.79 0.02 0.00 0.50 0.00 0.00 46.19 48.55 1ou4 s LEU 197 CO -0.09 -0.32 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.57 1ou4 s THR 198 N -0.36 1.64 -0.08 3.68 2.01 -1.26 -1.11 115.64 120.16 1ou4 s THR 198 Ca -0.05 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.28 1ou4 s THR 198 Cb -0.03 -1.50 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 1ou4 s THR 198 CO 0.03 0.47 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.57 1ou4 s ILE 199 N 1.12 2.17 0.07 1.82 1.01 -0.09 -0.74 121.20 126.57 1ou4 s ILE 199 Ca -0.03 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.64 1ou4 s ILE 199 Cb -0.14 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 1ou4 s ILE 199 CO -0.05 0.56 -0.07 0.00 0.00 0.00 0.00 174.94 175.39 1ou4 s THR 201 N -2.81 2.65 -0.47 0.00 -4.23 -0.60 -0.37 115.64 109.82 1ou4 s THR 201 Ca 0.03 -0.85 -0.28 0.00 -1.18 0.00 0.00 61.69 59.42 1ou4 s THR 201 Cb -0.00 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 1ou4 s THR 201 CO -0.03 0.57 1.80 -0.69 -0.54 0.00 0.00 174.62 175.73 1ou4 s VAL 202 N -0.23 3.45 -0.09 2.29 1.01 -0.45 -1.75 120.40 124.63 1ou4 s VAL 202 Ca -0.00 0.39 0.22 0.00 0.00 0.00 0.00 61.98 62.59 1ou4 s VAL 202 Cb -0.13 -3.82 -0.24 0.00 0.00 0.00 0.00 36.38 32.19 1ou4 s VAL 202 CO 0.03 -0.66 0.65 -1.54 0.00 0.00 0.00 175.10 173.57 1ou4 n SER 203 N 11.38 0.26 -4.08 3.32 3.41 -0.52 0.92 113.62 128.31 1ou4 n SER 203 Ca 0.21 0.10 -0.08 0.00 -0.26 0.00 0.00 58.87 58.84 1ou4 n SER 203 Cb 0.49 1.52 -0.10 0.00 -0.26 0.00 0.00 64.21 65.87 1ou4 n SER 203 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ou4 s ASP 204 N -4.78 0.56 -0.31 4.04 3.68 -1.17 -4.94 116.67 113.75 1ou4 s ASP 204 Ca -0.06 -0.89 -0.01 0.00 2.13 0.00 0.00 52.55 53.72 1ou4 s ASP 204 Cb 0.13 0.16 0.10 0.00 -1.45 0.00 0.00 42.92 41.86 1ou4 s ASP 204 CO 0.87 -0.51 0.11 -2.28 0.13 0.00 0.00 175.17 173.49 1ou4 s HIS 205 N -3.31 1.42 -0.51 -5.34 5.65 -1.26 -1.32 115.29 110.61 1ou4 s HIS 205 Ca 0.03 -1.57 -0.25 0.00 0.25 0.00 0.00 55.06 53.52 1ou4 s HIS 205 Cb 0.03 -1.54 -0.23 0.00 -1.18 0.00 0.00 32.58 29.66 1ou4 s HIS 205 CO -0.07 -0.87 1.81 -0.89 -0.65 0.00 0.00 174.74 174.08 1ou4 n ILE 206 N 4.91 1.21 0.00 0.89 5.41 -0.48 -3.60 119.36 127.70 1ou4 n ILE 206 Ca -0.03 -1.06 0.00 0.00 1.00 0.00 0.00 62.75 62.67 1ou4 n ILE 206 Cb 0.42 -2.21 0.00 0.00 -0.71 0.00 0.00 39.64 37.14 1ou4 n ILE 206 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1ou4 n ARG 207 N 7.34 0.00 -3.95 0.38 3.00 -1.26 -4.79 116.66 117.37 1ou4 n ARG 207 Ca 0.49 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 58.03 1ou4 n ARG 207 Cb 0.41 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 32.71 1ou4 n ARG 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1ou4 s THR 208 N 0.00 1.58 -0.22 5.15 2.01 -1.24 -5.09 115.64 117.83 1ou4 s THR 208 Ca 0.00 -1.21 -0.40 0.00 0.31 0.00 0.00 61.69 60.38 1ou4 s THR 208 Cb 0.00 -1.81 -0.16 0.00 0.01 0.00 0.00 72.50 70.54 1ou4 s THR 208 CO 0.00 -0.06 1.63 1.57 -0.69 0.00 0.00 174.62 177.07 1ou4 n HIS 209 N 4.66 1.87 -3.18 4.92 -0.00 -1.26 -4.88 115.22 117.34 1ou4 n HIS 209 Ca -0.12 0.64 0.00 0.00 0.46 0.00 0.00 57.72 58.69 1ou4 n HIS 209 Cb 0.44 -2.40 0.00 0.00 -0.12 0.00 0.00 29.99 27.91 1ou4 n HIS 209 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1ou4 n GLU 210 N 4.54 1.64 -3.80 1.57 2.13 -1.26 -5.14 120.64 120.32 1ou4 n GLU 210 Ca 0.25 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.95 1ou4 n GLU 210 Cb 0.12 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.71 1ou4 n GLU 210 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1ou4 s GLN 211 N -1.33 0.25 -0.09 5.31 -1.52 -1.26 -5.10 119.66 115.92 1ou4 s GLN 211 Ca 0.00 0.29 -0.08 0.00 -1.95 0.00 0.00 55.36 53.62 1ou4 s GLN 211 Cb 0.00 0.12 0.02 0.00 -0.22 0.00 0.00 33.01 32.94 1ou4 s GLN 211 CO 0.00 -0.03 0.25 0.95 -0.25 0.00 0.00 175.29 176.20 1ou4 s THR 212 N 0.10 -0.00 0.89 -0.19 -4.23 -1.26 -5.16 115.64 105.78 1ou4 s THR 212 Ca -0.00 0.01 -0.12 0.00 -1.18 0.00 0.00 61.69 60.40 1ou4 s THR 212 Cb -0.02 -0.35 0.12 0.00 1.34 0.00 0.00 72.50 73.60 1ou4 s THR 212 CO 0.00 0.00 1.10 0.42 -0.54 0.00 0.00 174.62 175.61 1ou4 s THR 213 N 0.19 2.58 0.33 3.99 -4.23 -1.26 -4.92 115.64 112.31 1ou4 s THR 213 Ca -0.00 0.19 0.12 0.00 -1.18 0.00 0.00 61.69 60.81 1ou4 s THR 213 Cb -0.02 -2.79 0.05 0.00 1.34 0.00 0.00 72.50 71.07 1ou4 s THR 213 CO -0.00 -0.24 1.74 0.00 -0.54 0.00 0.00 174.62 175.58 1ou4 h ALA 214 N -1.47 1.22 -0.28 3.99 0.00 -2.02 -2.87 119.26 117.84 1ou4 h ALA 214 Ca -0.50 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 53.91 1ou4 h ALA 214 Cb 1.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1ou4 h ALA 214 CO 0.58 0.59 -0.12 0.00 0.00 0.00 0.00 179.25 180.29 1ou4 h ALA 215 N 1.53 0.40 -0.87 0.00 0.00 -2.00 -2.45 119.26 115.87 1ou4 h ALA 215 Ca -0.00 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1ou4 h ALA 215 Cb 0.83 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1ou4 h ALA 215 CO 0.06 0.27 0.56 0.93 0.00 0.00 0.00 179.25 181.06 1ou4 h GLU 216 N 0.33 1.04 -0.27 0.00 5.08 -1.90 -1.86 114.58 117.00 1ou4 h GLU 216 Ca 0.06 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ou4 h GLU 216 Cb 0.63 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1ou4 h GLU 216 CO 0.04 0.69 0.12 0.00 -1.00 0.00 0.00 179.01 178.86 1ou4 h ARG 217 N 1.07 0.39 -0.94 2.33 2.47 -1.39 -1.57 114.38 116.74 1ou4 h ARG 217 Ca 0.35 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 59.00 1ou4 h ARG 217 Cb 0.04 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.24 1ou4 h ARG 217 CO -0.13 0.40 0.56 0.37 0.56 0.00 0.00 179.97 181.73 1ou4 h GLN 218 N 0.29 1.28 -0.69 0.04 5.75 -1.11 -0.05 115.11 120.63 1ou4 h GLN 218 Ca 0.09 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1ou4 h GLN 218 Cb 0.14 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 1ou4 h GLN 218 CO -0.01 0.90 0.33 1.15 -2.65 0.00 0.00 178.83 178.55 1ou4 h THR 219 N 1.30 1.23 -0.35 2.39 2.02 -1.11 -1.77 112.91 116.63 1ou4 h THR 219 Ca 0.34 -0.66 -0.14 0.00 0.77 0.00 0.00 66.41 66.71 1ou4 h THR 219 Cb -0.04 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1ou4 h THR 219 CO -0.06 0.27 -0.36 0.74 0.37 0.00 0.00 175.52 176.48 1ou4 h THR 220 N 0.97 1.28 -0.75 3.16 2.02 -0.74 -2.53 112.91 116.32 1ou4 h THR 220 Ca 0.24 -1.52 -0.05 0.00 0.77 0.00 0.00 66.41 65.85 1ou4 h THR 220 Cb 0.13 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1ou4 h THR 220 CO -0.03 0.50 0.29 0.15 0.37 0.00 0.00 175.52 176.81 1ou4 h PHE 221 N 0.66 1.16 -0.26 3.16 3.04 -0.74 -2.16 116.94 121.80 1ou4 h PHE 221 Ca 0.06 -0.09 -0.08 0.00 3.98 0.00 0.00 57.97 61.84 1ou4 h PHE 221 Cb 0.91 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 39.06 1ou4 h PHE 221 CO 0.05 0.88 -0.20 -0.91 -2.02 0.00 0.00 178.31 176.11 1ou4 h ASN 222 N 1.09 0.47 -0.46 0.41 2.35 -1.22 -2.29 115.58 115.93 1ou4 h ASN 222 Ca 0.25 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1ou4 h ASN 222 Cb 0.22 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1ou4 h ASN 222 CO -0.02 0.68 0.22 0.44 -1.65 0.00 0.00 177.43 177.10 1ou4 h ASP 223 N 0.43 0.61 -0.70 5.81 3.45 -1.00 -1.01 116.42 124.01 1ou4 h ASP 223 Ca 0.07 -0.13 -0.00 0.00 0.43 0.00 0.00 57.03 57.40 1ou4 h ASP 223 Cb 0.59 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.17 1ou4 h ASP 223 CO 0.04 0.57 0.43 -0.03 -1.57 0.00 0.00 179.24 178.68 1ou4 h MET 224 N 0.60 0.93 -0.45 3.56 4.05 -1.09 -1.09 114.93 121.44 1ou4 h MET 224 Ca 0.16 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.46 1ou4 h MET 224 Cb 0.13 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 1ou4 h MET 224 CO -0.02 0.65 0.11 0.82 0.23 0.00 0.00 176.91 178.70 1ou4 h ILE 225 N 0.95 1.23 -0.28 1.77 2.04 -1.15 -1.61 117.51 120.45 1ou4 h ILE 225 Ca 0.25 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.34 1ou4 h ILE 225 Cb -0.06 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1ou4 h ILE 225 CO -0.05 0.29 0.07 0.11 0.00 0.00 0.00 178.15 178.57 1ou4 h LYS 226 N 0.59 0.18 -0.18 2.37 1.57 -0.85 -0.28 116.57 119.99 1ou4 h LYS 226 Ca 0.14 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 1ou4 h LYS 226 Cb 0.31 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1ou4 h LYS 226 CO 0.00 0.12 -0.17 0.82 -0.57 0.00 0.00 179.45 179.65 1ou4 h ILE 227 N 0.19 0.55 -0.25 1.86 1.08 -0.97 0.84 117.51 120.80 1ou4 h ILE 227 Ca 0.13 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.64 1ou4 h ILE 227 Cb 0.12 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.38 1ou4 h ILE 227 CO -0.15 0.00 0.03 0.00 -0.69 0.00 0.00 178.15 177.34 1ou4 h ALA 228 N 0.90 0.25 -0.34 1.87 0.00 -0.80 -0.04 119.26 121.10 1ou4 h ALA 228 Ca 0.11 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1ou4 h ALA 228 Cb 0.35 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ou4 h ALA 228 CO -0.29 -0.39 0.06 -0.07 0.00 0.00 0.00 179.25 178.57 1ou4 h LEU 229 N 0.12 0.53 -1.01 0.00 3.38 -0.69 -2.76 115.31 114.88 1ou4 h LEU 229 Ca 0.12 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 1ou4 h LEU 229 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1ou4 h LEU 229 CO -0.17 0.65 -0.34 -0.33 0.09 0.00 0.00 178.44 178.34 1ou4 h GLU 230 N 0.39 0.28 0.00 1.13 4.39 -0.70 -2.58 114.58 117.49 1ou4 h GLU 230 Ca 0.10 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1ou4 h GLU 230 Cb 0.34 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1ou4 h GLU 230 CO 0.01 0.59 -0.29 0.66 -1.16 0.00 0.00 179.01 178.82 1ou4 h SER 231 N 0.25 0.00 -0.37 1.42 4.64 -0.86 -1.40 113.55 117.23 1ou4 h SER 231 Ca 0.03 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 1ou4 h SER 231 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1ou4 h SER 231 CO 0.05 0.29 -0.18 0.58 -0.87 0.00 0.00 176.83 176.70 1ou4 h VAL 232 N 0.00 1.28 -0.34 0.95 2.07 -1.17 -1.50 116.25 117.54 1ou4 h VAL 232 Ca -0.00 -1.31 -0.06 0.00 0.82 0.00 0.00 66.70 66.14 1ou4 h VAL 232 Cb 0.51 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1ou4 h VAL 232 CO 0.04 0.43 -0.06 -0.07 0.02 0.00 0.00 177.57 177.93 1ou4 h LEU 233 N 0.56 0.54 -0.50 2.57 3.38 -1.27 -2.26 115.31 118.33 1ou4 h LEU 233 Ca 0.08 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1ou4 h LEU 233 Cb 0.73 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1ou4 h LEU 233 CO 0.06 0.65 -0.25 -0.07 0.09 0.00 0.00 178.44 178.91 1ou4 h LEU 234 N 0.53 0.99 -1.69 1.67 3.38 -1.09 -2.81 115.31 116.29 1ou4 h LEU 234 Ca 0.10 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1ou4 h LEU 234 Cb 0.43 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1ou4 h LEU 234 CO 0.02 1.18 -0.19 1.23 0.09 0.00 0.00 178.44 180.78 1ou4 h GLY 235 N 0.87 0.00 2.00 0.83 0.00 -0.90 -1.95 103.07 103.91 1ou4 h GLY 235 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 1ou4 h GLY 235 CO 0.07 0.00 -0.31 -0.55 0.00 0.00 0.00 176.54 175.75 1ou4 h ASP 236 N 0.00 0.00 0.00 0.19 3.45 -1.15 -3.52 116.42 115.39 1ou4 h ASP 236 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1ou4 h ASP 236 Cb 0.41 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 1ou4 h ASP 236 CO 0.02 0.31 0.00 0.29 -1.57 0.00 0.00 179.24 178.30