#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 2.09 0.44 0.00 -4.23 -0.28 -4.99 115.64 108.68 1ou4 s THR 2 Ca 0.00 -1.93 0.26 0.00 -1.18 0.00 0.00 61.69 58.83 1ou4 s THR 2 Cb 0.00 -2.99 0.46 0.00 1.34 0.00 0.00 72.50 71.31 1ou4 s THR 2 CO 0.00 -0.01 1.75 -0.65 -0.54 0.00 0.00 174.62 175.17 1ou4 h PRO 3 N 1.70 0.23 -0.02 3.99 0.11 -2.02 -2.60 132.00 133.38 1ou4 h PRO 3 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ou4 h PRO 3 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1ou4 h PRO 3 CO 0.78 0.15 0.00 0.72 -0.21 0.00 0.00 178.00 179.44 1ou4 n HIS 4 N -4.52 0.03 -3.82 0.65 8.25 -1.26 -4.98 115.22 109.58 1ou4 n HIS 4 Ca 0.28 -0.16 -0.25 0.00 -0.26 0.00 0.00 57.72 57.33 1ou4 n HIS 4 Cb 1.10 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 32.02 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 -0.45 0.68 -1.16 1.59 1.01 -0.98 -4.70 121.20 117.19 1ou4 s ILE 5 Ca 0.03 -0.21 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 1ou4 s ILE 5 Cb 0.02 -0.86 0.24 0.00 0.01 0.00 0.00 42.46 41.87 1ou4 s ILE 5 CO 0.03 0.19 1.41 -3.20 0.00 0.00 0.00 174.94 173.37 1ou4 n ASN 6 N 5.04 5.57 -3.30 3.58 5.15 -1.26 -1.12 115.26 128.91 1ou4 n ASN 6 Ca -0.09 -3.11 -0.15 0.00 -0.60 0.00 0.00 54.58 50.62 1ou4 n ASN 6 Cb 0.49 -1.42 -0.05 0.00 -0.53 0.00 0.00 39.78 38.27 1ou4 n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ou4 s ALA 7 N -0.57 0.86 0.17 5.20 0.00 -1.26 -4.69 121.76 121.47 1ou4 s ALA 7 Ca 0.36 -1.56 0.08 0.00 0.00 0.00 0.00 51.96 50.83 1ou4 s ALA 7 Cb -0.02 1.19 -0.04 0.00 0.00 0.00 0.00 23.12 24.25 1ou4 s ALA 7 CO -0.00 -0.77 -0.17 -1.21 0.00 0.00 0.00 175.76 173.60 1ou4 s GLU 8 N -3.15 1.26 -0.10 0.00 0.41 -1.26 -1.99 118.70 113.87 1ou4 s GLU 8 Ca 0.32 -1.44 -0.37 0.00 -0.41 0.00 0.00 54.97 53.07 1ou4 s GLU 8 Cb 0.00 -1.23 -0.15 0.00 -1.78 0.00 0.00 34.13 30.97 1ou4 s GLU 8 CO 0.20 0.24 1.65 -0.12 -0.49 0.00 0.00 175.26 176.75 1ou4 n MET 9 N 0.14 1.49 0.00 1.61 0.00 -1.26 -1.26 117.12 117.84 1ou4 n MET 9 Ca -0.12 0.54 0.00 0.00 -0.00 0.00 0.00 57.70 58.12 1ou4 n MET 9 Cb 0.58 -2.26 0.00 0.00 0.00 0.00 0.00 33.22 31.54 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 3.73 1.80 0.27 -5.12 0.00 -1.26 -4.94 105.19 99.68 1ou4 n GLY 10 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 0.79 0.00 -3.17 1.61 3.32 -1.57 -3.42 116.42 113.98 1ou4 h ASP 11 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1ou4 h ASP 11 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 1ou4 h ASP 11 CO 0.00 0.10 -0.65 -0.36 -1.72 0.00 0.00 179.24 176.61 1ou4 s PHE 12 N -4.20 2.96 0.68 4.55 0.40 -1.26 -4.71 117.98 116.40 1ou4 s PHE 12 Ca -0.03 -0.06 -0.07 0.00 -0.60 0.00 0.00 56.93 56.17 1ou4 s PHE 12 Cb 0.13 -1.49 0.05 0.00 0.51 0.00 0.00 43.02 42.21 1ou4 s PHE 12 CO 0.57 0.49 1.00 0.00 0.70 0.00 0.00 175.22 177.98 1ou4 s ALA 13 N -1.46 3.15 -2.00 5.36 0.00 -1.26 -4.94 121.76 120.61 1ou4 s ALA 13 Ca 0.27 -0.81 0.19 0.00 0.00 0.00 0.00 51.96 51.60 1ou4 s ALA 13 Cb -0.11 -2.65 1.12 0.00 0.00 0.00 0.00 23.12 21.48 1ou4 s ALA 13 CO 0.19 -1.18 1.54 -0.40 0.00 0.00 0.00 175.76 175.91 1ou4 n ASP 14 N -2.86 0.00 -3.84 0.00 3.85 -1.26 -4.55 116.55 107.89 1ou4 n ASP 14 Ca 0.07 -0.81 -0.21 0.00 -0.71 0.00 0.00 54.79 53.13 1ou4 n ASP 14 Cb 0.60 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 40.20 1ou4 n ASP 14 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1ou4 s VAL 15 N -2.00 0.44 -0.06 2.12 1.01 -1.26 -1.36 120.40 119.29 1ou4 s VAL 15 Ca 0.28 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1ou4 s VAL 15 Cb 0.13 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.99 1ou4 s VAL 15 CO 0.22 0.23 -0.12 -0.69 0.00 0.00 0.00 175.10 174.73 1ou4 s VAL 16 N 1.33 1.14 -0.05 2.92 1.01 -0.30 -2.45 120.40 124.00 1ou4 s VAL 16 Ca -0.05 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 1ou4 s VAL 16 Cb -0.13 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 1ou4 s VAL 16 CO -0.02 0.35 0.37 -0.76 0.00 0.00 0.00 175.10 175.04 1ou4 s LEU 17 N 0.62 4.41 -0.22 3.92 1.02 0.02 -0.94 118.68 127.50 1ou4 s LEU 17 Ca -0.14 0.83 -0.02 0.00 0.02 0.00 0.00 54.13 54.83 1ou4 s LEU 17 Cb -0.15 -2.52 0.07 0.00 0.02 0.00 0.00 46.19 43.61 1ou4 s LEU 17 CO 0.04 0.26 0.03 -0.04 0.02 0.00 0.00 176.35 176.66 1ou4 s MET 18 N -0.66 0.82 0.48 1.70 -1.94 0.48 -1.04 119.30 119.14 1ou4 s MET 18 Ca 0.22 -0.62 -0.02 0.00 -1.71 0.00 0.00 55.69 53.56 1ou4 s MET 18 Cb -0.16 -2.17 -0.01 0.00 2.01 0.00 0.00 34.83 34.51 1ou4 s MET 18 CO 0.11 -0.69 0.73 -1.25 -0.01 0.00 0.00 175.02 173.91 1ou4 s PRO 19 N 1.75 3.19 0.14 2.03 0.04 -1.23 -2.11 135.00 138.81 1ou4 s PRO 19 Ca -0.00 -0.21 -0.09 0.00 0.04 0.00 0.00 61.00 60.74 1ou4 s PRO 19 Cb -0.17 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 1ou4 s PRO 19 CO -0.11 -0.30 1.43 0.78 0.04 0.00 0.00 177.00 178.84 1ou4 h GLY 20 N 0.28 0.86 -6.47 0.56 0.00 -1.86 -2.36 103.07 94.08 1ou4 h GLY 20 Ca -0.47 -1.02 -0.61 0.00 0.00 0.00 0.00 47.33 45.23 1ou4 h GLY 20 CO 0.60 0.92 -0.04 -0.35 0.00 0.00 0.00 176.54 177.67 1ou4 s ASP 21 N -6.95 6.50 0.57 0.19 2.15 -1.26 -2.38 116.67 115.48 1ou4 s ASP 21 Ca -0.10 0.60 0.26 0.00 0.43 0.00 0.00 52.55 53.75 1ou4 s ASP 21 Cb 0.10 -2.28 1.66 0.00 -0.30 0.00 0.00 42.92 42.10 1ou4 s ASP 21 CO 0.88 -0.22 2.22 1.55 -0.17 0.00 0.00 175.17 179.43 1ou4 h PRO 22 N 7.68 0.00 0.00 4.34 0.13 -1.88 0.15 132.00 142.41 1ou4 h PRO 22 Ca -0.32 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.69 1ou4 h PRO 22 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1ou4 h PRO 22 CO 0.73 0.01 -0.57 -0.07 -0.23 0.00 0.00 178.00 177.87 1ou4 h LEU 23 N 0.00 0.00 -0.98 1.56 3.38 -1.93 -2.31 115.31 115.03 1ou4 h LEU 23 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1ou4 h LEU 23 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1ou4 h LEU 23 CO 0.00 0.57 -0.48 -0.09 0.09 0.00 0.00 178.44 178.53 1ou4 h ARG 24 N 0.00 0.00 -0.37 1.13 9.65 -1.13 -2.44 114.38 121.21 1ou4 h ARG 24 Ca -0.01 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.77 1ou4 h ARG 24 Cb 1.07 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 1ou4 h ARG 24 CO 0.07 0.48 -0.18 0.00 2.80 0.00 0.00 179.97 183.14 1ou4 h ALA 25 N 1.52 0.52 -0.75 2.80 0.00 -0.89 -1.64 119.26 120.82 1ou4 h ALA 25 Ca -0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1ou4 h ALA 25 Cb 0.90 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1ou4 h ALA 25 CO 0.06 0.46 0.29 -0.22 0.00 0.00 0.00 179.25 179.85 1ou4 h LYS 26 N 0.58 1.11 -1.01 0.00 3.64 -1.33 -1.77 116.57 117.78 1ou4 h LYS 26 Ca 0.08 -0.20 0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1ou4 h LYS 26 Cb 0.73 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.32 1ou4 h LYS 26 CO 0.06 0.91 0.66 -0.92 -2.27 0.00 0.00 179.45 177.89 1ou4 h TYR 27 N 1.09 1.25 -0.14 1.91 5.03 -1.11 -1.74 116.97 123.26 1ou4 h TYR 27 Ca 0.25 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.55 1ou4 h TYR 27 Cb 0.22 -0.42 -0.00 0.00 1.55 0.00 0.00 36.73 38.07 1ou4 h TYR 27 CO 0.02 0.74 -0.06 0.82 -1.32 0.00 0.00 178.16 178.36 1ou4 h ILE 28 N 1.30 1.31 0.11 1.81 1.08 -0.77 -1.98 117.51 120.38 1ou4 h ILE 28 Ca 0.39 -1.08 0.01 0.00 -0.39 0.00 0.00 64.86 63.80 1ou4 h ILE 28 Cb -0.05 1.73 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 1ou4 h ILE 28 CO -0.11 0.31 -0.15 0.00 -0.69 0.00 0.00 178.15 177.51 1ou4 h ALA 29 N 0.67 -0.27 0.00 1.87 0.00 -1.06 -0.19 119.26 120.28 1ou4 h ALA 29 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ou4 h ALA 29 Cb 0.52 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1ou4 h ALA 29 CO 0.02 -0.68 -0.22 0.93 0.00 0.00 0.00 179.25 179.29 1ou4 h GLU 30 N -0.31 0.00 0.11 0.00 5.08 -1.39 -1.77 114.58 116.29 1ou4 h GLU 30 Ca 0.02 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.04 1ou4 h GLU 30 Cb 0.32 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1ou4 h GLU 30 CO -0.07 0.22 -1.83 1.15 -1.00 0.00 0.00 179.01 177.48 1ou4 h THR 31 N 0.00 0.79 0.00 1.13 2.02 -1.05 -3.43 112.91 112.37 1ou4 h THR 31 Ca -0.00 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.67 1ou4 h THR 31 Cb 0.65 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1ou4 h THR 31 CO 0.03 0.80 -0.96 0.49 0.37 0.00 0.00 175.52 176.26 1ou4 n PHE 32 N -3.41 0.00 -3.70 3.16 3.01 -0.11 -5.06 117.46 111.35 1ou4 n PHE 32 Ca -0.26 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 57.90 1ou4 n PHE 32 Cb 1.05 -0.04 -0.04 0.00 -0.01 0.00 0.00 39.48 40.44 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 -3.00 4.26 -0.06 4.37 1.02 -0.67 -4.71 118.68 119.89 1ou4 s LEU 33 Ca -0.01 0.50 0.01 0.00 0.02 0.00 0.00 54.13 54.65 1ou4 s LEU 33 Cb 0.01 -3.23 -0.03 0.00 0.02 0.00 0.00 46.19 42.96 1ou4 s LEU 33 CO 0.09 0.04 -0.05 -1.61 0.02 0.00 0.00 176.35 174.83 1ou4 s GLU 34 N -2.84 2.76 -1.38 1.70 2.02 0.34 -4.57 118.70 116.72 1ou4 s GLU 34 Ca 0.40 -0.55 -0.09 0.00 0.02 0.00 0.00 54.97 54.74 1ou4 s GLU 34 Cb -0.12 -2.62 0.02 0.00 0.10 0.00 0.00 34.13 31.52 1ou4 s GLU 34 CO 0.26 0.66 1.15 -0.25 0.02 0.00 0.00 175.26 177.10 1ou4 n ASP 35 N 2.07 -5.96 -4.77 -0.19 8.00 -1.26 -1.60 116.55 112.84 1ou4 n ASP 35 Ca -0.17 -0.58 -0.40 0.00 0.71 0.00 0.00 54.79 54.35 1ou4 n ASP 35 Cb 0.53 -4.87 -0.03 0.00 -0.02 0.00 0.00 41.12 36.74 1ou4 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ou4 s ALA 36 N -3.32 3.38 -0.02 2.24 0.00 -1.26 -4.55 121.76 118.22 1ou4 s ALA 36 Ca 0.57 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1ou4 s ALA 36 Cb -0.26 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.47 1ou4 s ALA 36 CO 0.75 -0.48 0.01 -0.98 0.00 0.00 0.00 175.76 175.06 1ou4 s ARG 37 N -1.83 0.10 0.08 0.00 1.70 -0.61 -4.96 118.95 113.43 1ou4 s ARG 37 Ca 0.50 0.08 -0.31 0.00 -0.47 0.00 0.00 55.73 55.53 1ou4 s ARG 37 Cb -0.35 -0.27 -0.07 0.00 -0.57 0.00 0.00 34.95 33.69 1ou4 s ARG 37 CO 0.46 -0.10 1.45 -2.00 -1.08 0.00 0.00 175.30 174.03 1ou4 s GLU 38 N 0.70 4.28 0.00 3.89 2.12 -1.26 -1.85 118.70 126.58 1ou4 s GLU 38 Ca -0.06 2.10 0.06 0.00 0.36 0.00 0.00 54.97 57.43 1ou4 s GLU 38 Cb -0.09 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.91 1ou4 s GLU 38 CO -0.02 -0.54 0.50 1.33 -0.54 0.00 0.00 175.26 176.00 1ou4 n VAL 39 N 4.29 0.00 -3.62 3.70 0.24 0.11 -4.96 118.33 118.08 1ou4 n VAL 39 Ca 0.13 -0.44 -0.15 0.00 -2.04 0.00 0.00 64.34 61.84 1ou4 n VAL 39 Cb 0.42 1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 33.80 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 -0.98 -0.68 0.00 -1.34 3.04 -1.18 -4.43 114.94 109.38 1ou4 s ASN 40 Ca 0.05 1.19 0.00 0.00 0.04 0.00 0.00 52.86 54.14 1ou4 s ASN 40 Cb 0.05 1.17 0.00 0.00 -1.54 0.00 0.00 41.25 40.93 1ou4 s ASN 40 CO 0.15 -0.33 0.21 -0.46 -3.04 0.00 0.00 177.10 173.64 1ou4 n ASN 41 N 2.27 0.00 -4.68 -4.21 0.23 -1.26 -2.01 115.26 105.61 1ou4 n ASN 41 Ca -0.15 -1.00 -0.46 0.00 -0.53 0.00 0.00 54.58 52.44 1ou4 n ASN 41 Cb 0.56 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.22 1ou4 n ASN 41 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1ou4 n VAL 42 N 0.00 0.07 -1.10 3.53 0.31 -1.26 -0.57 118.33 119.30 1ou4 n VAL 42 Ca 0.00 -0.01 -0.03 0.00 -0.01 0.00 0.00 64.34 64.28 1ou4 n VAL 42 Cb 0.37 -1.63 -0.01 0.00 -0.91 0.00 0.00 33.84 31.65 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 3.84 -1.90 -0.86 5.55 1.74 -1.26 -1.40 116.66 122.37 1ou4 n ARG 43 Ca 0.17 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 1ou4 n ARG 43 Cb 0.30 -5.09 0.00 0.00 -1.02 0.00 0.00 32.46 26.65 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 0.75 0.57 3.14 -0.13 0.00 0.26 -4.97 105.19 104.81 1ou4 n GLY 44 Ca -0.03 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1ou4 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ou4 n MET 45 N -2.86 3.43 -1.61 1.61 0.00 -0.49 -4.85 117.12 112.36 1ou4 n MET 45 Ca 0.00 -3.56 -0.50 0.00 0.00 0.00 0.00 57.70 53.63 1ou4 n MET 45 Cb 0.00 -3.04 -0.05 0.00 0.00 0.00 0.00 33.22 30.12 1ou4 n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1ou4 n LEU 46 N 5.06 2.02 -4.11 -0.89 4.77 -1.25 -4.44 117.00 118.16 1ou4 n LEU 46 Ca 0.40 1.11 -0.22 0.00 -0.03 0.00 0.00 56.01 57.27 1ou4 n LEU 46 Cb 0.40 -1.25 -0.15 0.00 -2.33 0.00 0.00 43.42 40.08 1ou4 n LEU 46 CO 0.75 -0.85 -0.47 -0.83 -1.33 0.00 0.00 177.39 174.66 1ou4 s GLY 47 N 0.60 0.68 0.10 -0.72 0.00 -0.85 -3.11 107.32 104.03 1ou4 s GLY 47 Ca 0.83 -0.60 0.04 0.00 0.00 0.00 0.00 44.72 44.98 1ou4 s GLY 47 CO 0.45 -0.50 -0.10 -1.36 0.00 0.00 0.00 173.10 171.58 1ou4 s PHE 48 N -0.33 1.09 -0.03 1.90 0.08 0.40 0.05 117.98 121.13 1ou4 s PHE 48 Ca 0.05 -0.66 0.01 0.00 0.12 0.00 0.00 56.93 56.45 1ou4 s PHE 48 Cb -0.05 -0.59 0.02 0.00 -0.57 0.00 0.00 43.02 41.83 1ou4 s PHE 48 CO -0.01 0.01 -0.00 0.99 -0.10 0.00 0.00 175.22 176.11 1ou4 s THR 49 N -2.49 0.20 0.00 0.64 2.01 -0.77 -1.41 115.64 113.82 1ou4 s THR 49 Ca 0.06 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.12 1ou4 s THR 49 Cb -0.03 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.21 1ou4 s THR 49 CO 0.00 0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 1ou4 n GLY 50 N 4.02 3.43 3.05 4.40 0.00 -0.28 -1.57 105.19 118.24 1ou4 n GLY 50 Ca -0.26 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.41 0.53 -0.19 2.61 -4.23 -0.63 -0.81 115.64 111.50 1ou4 s THR 51 Ca 0.00 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 1ou4 s THR 51 Cb 0.00 -0.58 0.04 0.00 1.34 0.00 0.00 72.50 73.30 1ou4 s THR 51 CO 0.00 -0.33 -0.09 -0.47 -0.54 0.00 0.00 174.62 173.19 1ou4 s TYR 52 N -1.24 2.28 -1.55 3.99 6.14 0.63 -0.51 117.35 127.08 1ou4 s TYR 52 Ca -0.09 -1.50 -0.11 0.00 0.64 0.00 0.00 57.07 56.01 1ou4 s TYR 52 Cb -0.09 -1.58 0.09 0.00 0.42 0.00 0.00 41.96 40.80 1ou4 s TYR 52 CO 0.00 -0.72 0.74 1.63 0.64 0.00 0.00 175.55 177.85 1ou4 n LYS 53 N 4.72 -3.99 0.00 4.97 5.02 -1.26 -1.04 118.16 126.59 1ou4 n LYS 53 Ca -0.14 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1ou4 n LYS 53 Cb 0.47 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.41 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 -1.64 2.43 3.78 0.72 0.00 -1.26 -5.03 105.19 104.19 1ou4 n GLY 54 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1ou4 n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ou4 s ARG 55 N -0.39 4.12 0.01 1.61 0.52 -0.20 -5.02 118.95 119.59 1ou4 s ARG 55 Ca 0.00 0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 55.27 1ou4 s ARG 55 Cb 0.00 -3.33 -0.06 0.00 0.52 0.00 0.00 34.95 32.08 1ou4 s ARG 55 CO 0.00 0.43 1.46 0.21 0.02 0.00 0.00 175.30 177.42 1ou4 s LYS 56 N -0.23 4.26 0.03 3.54 2.20 -1.26 -0.27 119.74 128.02 1ou4 s LYS 56 Ca 0.23 2.05 0.01 0.00 -0.36 0.00 0.00 55.97 57.90 1ou4 s LYS 56 Cb -0.15 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.56 1ou4 s LYS 56 CO 0.10 -0.62 -0.06 0.42 -0.36 0.00 0.00 175.35 174.84 1ou4 s ILE 57 N 2.49 0.40 0.12 5.43 -1.09 0.01 -4.77 121.20 123.79 1ou4 s ILE 57 Ca 0.66 -1.00 0.08 0.00 -2.23 0.00 0.00 60.65 58.16 1ou4 s ILE 57 Cb -0.33 -0.49 -0.04 0.00 -1.58 0.00 0.00 42.46 40.02 1ou4 s ILE 57 CO 0.28 -0.41 -0.20 -0.44 -1.23 0.00 0.00 174.94 172.94 1ou4 s SER 58 N -1.51 2.52 -0.05 3.58 0.01 -1.03 -1.13 113.70 116.11 1ou4 s SER 58 Ca -0.12 -0.73 -0.03 0.00 1.31 0.00 0.00 55.95 56.39 1ou4 s SER 58 Cb -0.10 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.02 1ou4 s SER 58 CO -0.00 0.02 0.11 0.54 0.41 0.00 0.00 173.24 174.32 1ou4 s VAL 59 N -1.42 -0.03 -0.20 3.43 0.11 -0.50 -0.80 120.40 120.99 1ou4 s VAL 59 Ca 0.08 0.10 -0.24 0.00 -2.93 0.00 0.00 61.98 59.00 1ou4 s VAL 59 Cb -0.09 -0.17 0.06 0.00 -1.53 0.00 0.00 36.38 34.65 1ou4 s VAL 59 CO 0.05 0.04 0.64 -0.32 -3.33 0.00 0.00 175.10 172.18 1ou4 s MET 60 N 0.63 0.80 0.74 1.54 0.00 -0.21 -0.45 119.30 122.36 1ou4 s MET 60 Ca -0.05 0.76 -0.11 0.00 0.00 0.00 0.00 55.69 56.29 1ou4 s MET 60 Cb -0.07 0.39 0.04 0.00 0.00 0.00 0.00 34.83 35.19 1ou4 s MET 60 CO -0.03 -0.13 1.09 0.20 0.00 0.00 0.00 175.02 176.15 1ou4 s GLY 61 N 0.04 1.73 0.00 2.11 0.00 -1.18 -3.53 107.32 106.48 1ou4 s GLY 61 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.96 1ou4 s GLY 61 CO 0.02 0.60 0.63 -2.39 0.00 0.00 0.00 173.10 171.97 1ou4 n HIS 62 N -3.31 0.00 -0.48 1.90 1.44 -0.89 -4.91 115.22 108.98 1ou4 n HIS 62 Ca 0.09 -0.19 0.06 0.00 -2.01 0.00 0.00 57.72 55.67 1ou4 n HIS 62 Cb 0.53 -0.02 -0.02 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 -0.19 -1.68 3.73 -1.39 0.00 -1.00 -2.75 105.19 101.91 1ou4 n GLY 63 Ca 0.00 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.70 4.22 0.00 1.61 1.00 -1.26 -4.65 119.30 118.52 1ou4 s MET 64 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 55.69 55.70 1ou4 s MET 64 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 34.83 31.41 1ou4 s MET 64 CO 0.00 0.27 0.00 0.41 0.00 0.00 0.00 175.02 175.70 1ou4 n GLY 65 N 3.39 2.51 0.25 -0.03 0.00 -1.25 -4.54 105.19 105.53 1ou4 n GLY 65 Ca -0.13 -1.83 -0.07 0.00 0.00 0.00 0.00 46.02 43.99 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 1.20 -0.52 -0.61 2.04 -1.82 -2.23 117.51 115.57 1ou4 h ILE 66 Ca 0.00 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1ou4 h ILE 66 Cb 0.00 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 1ou4 h ILE 66 CO 0.00 0.22 0.30 -0.65 0.00 0.00 0.00 178.15 178.01 1ou4 h PRO 67 N 0.81 0.71 0.21 2.37 0.11 -1.91 -0.88 132.00 133.42 1ou4 h PRO 67 Ca 0.21 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1ou4 h PRO 67 Cb 0.06 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1ou4 h PRO 67 CO -0.03 0.51 -0.10 1.03 -0.21 0.00 0.00 178.00 179.20 1ou4 h SER 68 N 0.72 -0.24 0.30 -2.05 0.87 -1.75 -3.24 113.55 108.16 1ou4 h SER 68 Ca 0.19 -0.24 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1ou4 h SER 68 Cb 0.00 0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1ou4 h SER 68 CO -0.03 0.29 -0.13 0.00 -0.53 0.00 0.00 176.83 176.42 1ou4 h SER 70 N 0.00 1.04 0.36 0.00 0.02 -1.23 -2.01 113.55 111.73 1ou4 h SER 70 Ca -0.00 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1ou4 h SER 70 Cb 0.31 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1ou4 h SER 70 CO 0.02 0.95 -0.17 0.40 -1.14 0.00 0.00 176.83 176.88 1ou4 h ILE 71 N 1.09 0.63 -0.40 3.27 2.04 -1.49 -2.37 117.51 120.27 1ou4 h ILE 71 Ca 0.24 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1ou4 h ILE 71 Cb 0.25 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1ou4 h ILE 71 CO -0.01 0.08 0.27 1.88 0.00 0.00 0.00 178.15 180.36 1ou4 h TYR 72 N -0.73 0.51 -0.28 1.37 0.05 -1.52 -1.52 116.97 114.85 1ou4 h TYR 72 Ca -0.05 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.66 1ou4 h TYR 72 Cb 0.50 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1ou4 h TYR 72 CO 0.00 0.33 -0.19 1.79 -1.05 0.00 0.00 178.16 179.04 1ou4 h THR 73 N 0.55 1.25 -0.15 -2.88 1.35 -1.45 -1.58 112.91 110.01 1ou4 h THR 73 Ca 0.15 -1.15 -0.02 0.00 -0.55 0.00 0.00 66.41 64.84 1ou4 h THR 73 Cb -0.06 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.60 1ou4 h THR 73 CO -0.03 0.37 0.03 0.50 -0.25 0.00 0.00 175.52 176.14 1ou4 h LYS 74 N 0.45 0.24 -0.24 4.72 3.11 -1.09 -1.99 116.57 121.77 1ou4 h LYS 74 Ca 0.08 -0.06 -0.07 0.00 -2.81 0.00 0.00 60.65 57.79 1ou4 h LYS 74 Cb 0.59 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.77 1ou4 h LYS 74 CO 0.04 0.42 -0.14 0.93 -2.81 0.00 0.00 179.45 177.89 1ou4 h GLU 75 N 0.03 0.40 -0.22 1.90 5.08 -1.14 -1.89 114.58 118.74 1ou4 h GLU 75 Ca 0.05 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1ou4 h GLU 75 Cb 0.29 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1ou4 h GLU 75 CO 0.00 0.54 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.38 1ou4 h LEU 76 N 0.38 0.48 -0.10 1.33 3.38 -1.16 -1.92 115.31 117.69 1ou4 h LEU 76 Ca 0.07 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 1ou4 h LEU 76 Cb 0.47 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1ou4 h LEU 76 CO 0.03 0.78 -0.03 0.40 0.09 0.00 0.00 178.44 179.71 1ou4 h ILE 77 N 0.18 1.30 0.00 1.22 2.04 -1.21 -1.54 117.51 119.50 1ou4 h ILE 77 Ca 0.05 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 1ou4 h ILE 77 Cb 0.60 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1ou4 h ILE 77 CO 0.03 0.28 -0.57 0.71 0.00 0.00 0.00 178.15 178.60 1ou4 h THR 78 N -0.14 0.11 0.00 -0.27 1.35 -1.45 -3.33 112.91 109.18 1ou4 h THR 78 Ca 0.02 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 1ou4 h THR 78 Cb 0.45 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1ou4 h THR 78 CO 0.01 0.06 -0.40 0.47 -0.25 0.00 0.00 175.52 175.42 1ou4 n ASP 79 N -2.92 1.42 -0.10 5.36 9.92 -0.72 -4.75 116.55 124.76 1ou4 n ASP 79 Ca 0.01 -0.38 0.06 0.00 -0.53 0.00 0.00 54.79 53.95 1ou4 n ASP 79 Cb 0.58 1.03 0.09 0.00 -0.64 0.00 0.00 41.12 42.17 1ou4 n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1ou4 n PHE 80 N -1.21 0.00 -1.39 1.24 3.01 -0.61 -4.69 117.46 113.82 1ou4 n PHE 80 Ca 0.00 -0.73 -0.14 0.00 1.01 0.00 0.00 57.45 57.59 1ou4 n PHE 80 Cb 0.04 -0.11 -0.06 0.00 -0.01 0.00 0.00 39.48 39.34 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 -1.01 1.31 3.74 1.37 0.00 -1.18 -4.72 105.19 104.71 1ou4 n GLY 81 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.16 3.08 -0.06 1.61 1.01 -1.04 -4.73 120.40 118.10 1ou4 s VAL 82 Ca 0.00 0.88 0.10 0.00 0.00 0.00 0.00 61.98 62.97 1ou4 s VAL 82 Cb 0.00 -3.57 -0.15 0.00 0.00 0.00 0.00 36.38 32.66 1ou4 s VAL 82 CO 0.00 0.13 0.14 0.29 0.00 0.00 0.00 175.10 175.66 1ou4 n LYS 83 N 2.62 1.31 -4.45 2.72 5.02 -0.46 -4.43 118.16 120.49 1ou4 n LYS 83 Ca 0.07 -0.05 -0.20 0.00 -2.02 0.00 0.00 58.31 56.10 1ou4 n LYS 83 Cb 0.42 -1.27 -0.15 0.00 -0.02 0.00 0.00 35.03 34.02 1ou4 n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ou4 s LYS 84 N -2.52 0.90 -0.05 1.97 1.02 -0.71 -1.66 119.74 118.69 1ou4 s LYS 84 Ca -0.05 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 55.60 1ou4 s LYS 84 Cb 0.05 -0.86 0.01 0.00 -0.52 0.00 0.00 37.83 36.51 1ou4 s LYS 84 CO 0.44 0.21 -0.11 0.42 -0.92 0.00 0.00 175.35 175.39 1ou4 s ILE 85 N -0.16 1.01 -0.26 2.17 1.01 -0.83 -1.15 121.20 122.98 1ou4 s ILE 85 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1ou4 s ILE 85 Cb -0.05 -0.91 0.08 0.00 0.01 0.00 0.00 42.46 41.59 1ou4 s ILE 85 CO -0.00 0.32 0.01 -0.63 0.00 0.00 0.00 174.94 174.64 1ou4 s ILE 86 N 0.44 1.27 0.17 2.92 1.01 -0.12 -1.69 121.20 125.19 1ou4 s ILE 86 Ca -0.09 -1.29 -0.30 0.00 0.00 0.00 0.00 60.65 58.97 1ou4 s ILE 86 Cb -0.13 -1.74 -0.07 0.00 0.01 0.00 0.00 42.46 40.53 1ou4 s ILE 86 CO 0.02 -0.33 1.06 -0.60 0.00 0.00 0.00 174.94 175.09 1ou4 s ARG 87 N 1.47 4.63 -0.26 2.79 3.52 0.14 -0.39 118.95 130.86 1ou4 s ARG 87 Ca 0.01 1.64 -0.01 0.00 -0.13 0.00 0.00 55.73 57.25 1ou4 s ARG 87 Cb -0.18 -3.30 0.08 0.00 -1.56 0.00 0.00 34.95 29.99 1ou4 s ARG 87 CO -0.12 0.13 0.04 0.14 -0.81 0.00 0.00 175.30 174.69 1ou4 s VAL 88 N -0.24 1.03 0.00 7.11 -7.23 -0.90 -1.04 120.40 119.14 1ou4 s VAL 88 Ca 0.48 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 1ou4 s VAL 88 Cb -0.28 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.06 1ou4 s VAL 88 CO 0.34 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1ou4 n GLY 89 N 4.82 5.21 3.36 2.32 0.00 -0.84 -4.14 105.19 115.91 1ou4 n GLY 89 Ca -0.06 -1.17 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 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 1.08 2.80 0.08 1.61 1.04 -1.26 -2.38 113.70 116.66 1ou4 s SER 90 Ca 0.00 -0.96 -0.06 0.00 0.48 0.00 0.00 55.95 55.40 1ou4 s SER 90 Cb 0.00 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 1ou4 s SER 90 CO 0.00 -0.08 0.13 0.00 0.98 0.00 0.00 173.24 174.26 1ou4 s GLY 92 N -2.83 2.55 0.47 0.00 0.00 0.16 -2.23 107.32 105.44 1ou4 s GLY 92 Ca 0.05 -0.08 -0.21 0.00 0.00 0.00 0.00 44.72 44.48 1ou4 s GLY 92 CO -0.10 0.52 1.05 0.00 0.00 0.00 0.00 173.10 174.56 1ou4 s ALA 93 N -0.49 2.90 0.00 3.20 0.00 0.23 -0.87 121.76 126.73 1ou4 s ALA 93 Ca 0.27 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1ou4 s ALA 93 Cb -0.17 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1ou4 s ALA 93 CO 0.15 -0.32 0.00 0.28 0.00 0.00 0.00 175.76 175.87 1ou4 n VAL 94 N -0.80 0.00 -3.02 0.00 0.31 -1.26 -2.28 118.33 111.27 1ou4 n VAL 94 Ca 0.09 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.02 1ou4 n VAL 94 Cb 0.52 -0.60 -0.05 0.00 -0.91 0.00 0.00 33.84 32.79 1ou4 n VAL 94 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1ou4 s LEU 95 N -4.75 4.42 0.27 7.52 1.43 -1.26 -4.76 118.68 121.55 1ou4 s LEU 95 Ca 0.00 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 1ou4 s LEU 95 Cb 0.00 -3.17 0.58 0.00 0.03 0.00 0.00 46.19 43.63 1ou4 s LEU 95 CO 0.00 0.00 1.75 -0.65 0.23 0.00 0.00 176.35 177.69 1ou4 h PRO 96 N 5.84 0.57 0.00 1.29 0.11 -1.98 -0.66 132.00 137.18 1ou4 h PRO 96 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ou4 h PRO 96 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ou4 h PRO 96 CO 0.71 0.38 0.00 -2.39 -0.21 0.00 0.00 178.00 176.49 1ou4 n HIS 97 N -4.90 0.00 -2.89 0.65 1.44 -1.26 -4.57 115.22 103.69 1ou4 n HIS 97 Ca 0.18 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.46 1ou4 n HIS 97 Cb 0.48 -0.32 -0.04 0.00 0.12 0.00 0.00 29.99 30.23 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 -2.65 4.42 0.67 0.61 1.01 -0.25 -5.03 120.40 119.18 1ou4 s VAL 98 Ca 0.20 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 1ou4 s VAL 98 Cb 0.16 -4.61 0.05 0.00 0.00 0.00 0.00 36.38 31.98 1ou4 s VAL 98 CO 0.37 -1.30 0.97 -0.54 0.00 0.00 0.00 175.10 174.60 1ou4 s LYS 99 N 3.83 2.38 0.63 2.72 -0.14 -1.26 -4.85 119.74 123.04 1ou4 s LYS 99 Ca 0.23 -0.24 -0.17 0.00 -1.36 0.00 0.00 55.97 54.43 1ou4 s LYS 99 Cb -0.17 -2.22 -0.02 0.00 -1.68 0.00 0.00 37.83 33.75 1ou4 s LYS 99 CO 0.12 -1.08 1.14 -0.51 -0.76 0.00 0.00 175.35 174.25 1ou4 s LEU 100 N -5.15 3.51 -1.17 3.17 2.01 -1.26 -3.30 118.68 116.49 1ou4 s LEU 100 Ca 0.59 2.13 0.00 0.00 0.01 0.00 0.00 54.13 56.85 1ou4 s LEU 100 Cb -0.11 -4.57 0.00 0.00 0.01 0.00 0.00 46.19 41.53 1ou4 s LEU 100 CO 0.44 -1.58 0.00 0.54 1.01 0.00 0.00 176.35 176.77 1ou4 n ARG 101 N -2.05 -0.97 -3.78 1.70 1.74 -1.22 -4.98 116.66 107.09 1ou4 n ARG 101 Ca 0.11 0.72 -0.36 0.00 -0.77 0.00 0.00 57.85 57.55 1ou4 n ARG 101 Cb 0.51 -4.87 -0.07 0.00 -1.02 0.00 0.00 32.46 27.01 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 -2.57 6.33 -0.21 0.55 -0.00 -1.21 -4.94 116.67 114.63 1ou4 s ASP 102 Ca 0.00 0.38 -0.22 0.00 -0.00 0.00 0.00 52.55 52.72 1ou4 s ASP 102 Cb 0.00 -2.09 -0.02 0.00 -0.00 0.00 0.00 42.92 40.81 1ou4 s ASP 102 CO 0.00 0.29 0.68 -0.69 -0.00 0.00 0.00 175.17 175.45 1ou4 s VAL 103 N -0.35 4.97 -0.14 -1.27 1.01 -1.26 -3.02 120.40 120.34 1ou4 s VAL 103 Ca 0.12 1.27 -0.03 0.00 0.00 0.00 0.00 61.98 63.35 1ou4 s VAL 103 Cb -0.12 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1ou4 s VAL 103 CO 0.02 0.06 -0.05 -0.69 0.00 0.00 0.00 175.10 174.44 1ou4 s VAL 104 N 2.16 3.79 -0.19 2.92 1.01 0.21 -1.76 120.40 128.55 1ou4 s VAL 104 Ca 0.30 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1ou4 s VAL 104 Cb -0.16 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1ou4 s VAL 104 CO 0.10 0.51 -0.07 -0.63 0.00 0.00 0.00 175.10 175.01 1ou4 s ILE 105 N 0.17 3.27 -0.98 2.22 1.01 0.07 -0.14 121.20 126.84 1ou4 s ILE 105 Ca -0.02 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 1ou4 s ILE 105 Cb -0.14 -2.45 0.12 0.00 0.01 0.00 0.00 42.46 40.01 1ou4 s ILE 105 CO 0.03 0.47 1.21 -0.83 0.00 0.00 0.00 174.94 175.82 1ou4 s GLY 106 N 1.03 1.88 0.38 6.18 0.00 -0.53 -2.04 107.32 114.21 1ou4 s GLY 106 Ca -0.00 -2.76 0.09 0.00 0.00 0.00 0.00 44.72 42.04 1ou4 s GLY 106 CO -0.01 2.12 1.90 1.98 0.00 0.00 0.00 173.10 179.10 1ou4 h MET 107 N 8.77 0.27 -4.38 2.90 4.05 -1.47 -3.39 114.93 121.67 1ou4 h MET 107 Ca 0.19 -0.06 -0.18 0.00 -0.28 0.00 0.00 59.70 59.36 1ou4 h MET 107 Cb 1.00 -0.04 -0.15 0.00 -0.80 0.00 0.00 31.60 31.62 1ou4 h MET 107 CO 1.17 0.41 -0.61 0.20 0.23 0.00 0.00 176.91 178.31 1ou4 s GLY 108 N -4.04 0.96 -0.17 1.39 0.00 -1.13 -1.68 107.32 102.65 1ou4 s GLY 108 Ca -0.06 -1.42 -0.04 0.00 0.00 0.00 0.00 44.72 43.20 1ou4 s GLY 108 CO 0.74 -1.31 0.25 0.00 0.00 0.00 0.00 173.10 172.78 1ou4 s ALA 109 N -4.05 -0.47 0.71 3.20 0.00 -0.40 -2.00 121.76 118.76 1ou4 s ALA 109 Ca 0.24 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 52.70 1ou4 s ALA 109 Cb 0.07 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.99 1ou4 s ALA 109 CO 0.02 -0.96 1.07 0.00 0.00 0.00 0.00 175.76 175.89 1ou4 s THR 111 N -3.16 0.05 -0.06 0.00 -1.32 -1.26 -0.64 115.64 109.25 1ou4 s THR 111 Ca 0.58 -0.77 0.22 0.00 -1.21 0.00 0.00 61.69 60.51 1ou4 s THR 111 Cb -0.13 -1.45 -0.31 0.00 -1.51 0.00 0.00 72.50 69.11 1ou4 s THR 111 CO 0.54 -0.21 0.48 -0.67 -2.21 0.00 0.00 174.62 172.55 1ou4 n ASP 112 N -0.28 0.07 -4.79 8.08 4.64 -0.95 -4.95 116.55 118.37 1ou4 n ASP 112 Ca -0.12 0.03 -0.30 0.00 -1.38 0.00 0.00 54.79 53.02 1ou4 n ASP 112 Cb 0.63 1.77 0.10 0.00 -1.04 0.00 0.00 41.12 42.57 1ou4 n ASP 112 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 1ou4 s SER 113 N -4.69 4.39 -0.04 1.67 0.15 -1.26 -4.90 113.70 109.02 1ou4 s SER 113 Ca -0.08 1.38 0.10 0.00 0.70 0.00 0.00 55.95 58.06 1ou4 s SER 113 Cb 0.13 -2.12 0.28 0.00 -1.71 0.00 0.00 66.02 62.59 1ou4 s SER 113 CO 0.89 -2.04 1.22 2.29 1.20 0.00 0.00 173.24 176.80 1ou4 n LYS 114 N -3.49 2.82 -0.27 5.44 2.85 -1.26 -4.70 118.16 119.55 1ou4 n LYS 114 Ca 0.07 -2.10 -0.05 0.00 -1.05 0.00 0.00 58.31 55.19 1ou4 n LYS 114 Cb 0.56 -1.32 0.06 0.00 -0.65 0.00 0.00 35.03 33.68 1ou4 n LYS 114 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 1ou4 h VAL 115 N 1.42 1.20 0.00 0.58 -1.51 -2.00 -1.80 116.25 114.14 1ou4 h VAL 115 Ca 0.00 -0.38 -0.08 0.00 -1.23 0.00 0.00 66.70 65.02 1ou4 h VAL 115 Cb 0.82 0.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.08 1ou4 h VAL 115 CO 0.04 0.19 -0.37 0.78 -1.23 0.00 0.00 177.57 176.98 1ou4 h ASN 116 N 1.02 0.00 0.27 4.19 2.35 -1.94 -2.60 115.58 118.86 1ou4 h ASN 116 Ca 0.27 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.86 1ou4 h ASN 116 Cb -0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1ou4 h ASN 116 CO -0.06 0.37 -0.63 0.03 -1.65 0.00 0.00 177.43 175.49 1ou4 h ARG 117 N 0.00 0.35 -0.77 0.81 3.08 -1.67 0.20 114.38 116.38 1ou4 h ARG 117 Ca -0.00 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1ou4 h ARG 117 Cb 0.85 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 1ou4 h ARG 117 CO 0.05 0.87 0.39 0.82 -1.07 0.00 0.00 179.97 181.03 1ou4 h ILE 118 N 0.26 1.24 -0.22 2.04 1.08 -1.10 0.31 117.51 121.11 1ou4 h ILE 118 Ca -0.01 -0.65 -0.13 0.00 -0.39 0.00 0.00 64.86 63.67 1ou4 h ILE 118 Cb 1.17 0.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 1ou4 h ILE 118 CO 0.11 0.28 -0.39 0.03 -0.69 0.00 0.00 178.15 177.49 1ou4 h ARG 119 N 1.08 0.65 -0.99 2.37 3.08 -1.11 -3.36 114.38 116.10 1ou4 h ARG 119 Ca 0.27 -0.41 -0.67 0.00 0.07 0.00 0.00 59.98 59.24 1ou4 h ARG 119 Cb 0.09 0.05 -0.29 0.00 0.08 0.00 0.00 29.97 29.89 1ou4 h ARG 119 CO -0.04 1.02 0.83 0.34 -1.07 0.00 0.00 179.97 181.05 1ou4 n PHE 120 N -4.23 3.22 -3.89 3.04 7.35 0.68 -4.91 117.46 118.72 1ou4 n PHE 120 Ca -0.05 -2.97 -0.31 0.00 -0.76 0.00 0.00 57.45 53.36 1ou4 n PHE 120 Cb 0.53 -1.41 0.01 0.00 0.35 0.00 0.00 39.48 38.96 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 -0.92 -4.76 -1.55 -4.13 4.76 -1.13 -1.28 118.16 109.14 1ou4 n LYS 121 Ca 0.62 0.54 -0.15 0.00 -2.87 0.00 0.00 58.31 56.45 1ou4 n LYS 121 Cb 0.70 -5.39 -0.06 0.00 -1.84 0.00 0.00 35.03 28.45 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 -2.72 -4.84 -3.28 4.39 4.64 0.11 -5.00 116.55 109.86 1ou4 n ASP 122 Ca 0.04 0.34 -0.10 0.00 -1.38 0.00 0.00 54.79 53.69 1ou4 n ASP 122 Cb 0.52 -3.73 0.01 0.00 -1.04 0.00 0.00 41.12 36.88 1ou4 n ASP 122 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1ou4 n HIS 123 N -2.73 -1.81 -3.05 -0.67 8.25 -0.41 -5.03 115.22 109.78 1ou4 n HIS 123 Ca -0.16 -0.99 -0.43 0.00 -0.26 0.00 0.00 57.72 55.88 1ou4 n HIS 123 Cb 0.52 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 31.35 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 -2.50 6.37 -0.24 0.41 1.11 -1.26 -4.62 116.67 115.93 1ou4 s ASP 124 Ca 0.20 -0.22 -0.08 0.00 0.18 0.00 0.00 52.55 52.63 1ou4 s ASP 124 Cb -0.02 -2.35 -0.04 0.00 1.07 0.00 0.00 42.92 41.59 1ou4 s ASP 124 CO 0.12 -0.82 0.10 0.12 1.18 0.00 0.00 175.17 175.88 1ou4 s PHE 125 N 2.99 3.17 -0.88 4.23 5.36 -1.26 -5.04 117.98 126.55 1ou4 s PHE 125 Ca 0.26 -0.14 -0.23 0.00 -0.96 0.00 0.00 56.93 55.85 1ou4 s PHE 125 Cb -0.13 -2.24 0.06 0.00 -0.34 0.00 0.00 43.02 40.37 1ou4 s PHE 125 CO 0.20 -0.17 1.29 0.00 -1.46 0.00 0.00 175.22 175.08 1ou4 s ALA 126 N 1.33 2.87 -0.26 11.12 0.00 -1.26 -4.97 121.76 130.59 1ou4 s ALA 126 Ca 0.06 -2.02 -0.28 0.00 0.00 0.00 0.00 51.96 49.71 1ou4 s ALA 126 Cb -0.15 -4.29 -0.04 0.00 0.00 0.00 0.00 23.12 18.64 1ou4 s ALA 126 CO 0.05 -3.32 2.05 0.00 0.00 0.00 0.00 175.76 174.53 1ou4 s ALA 127 N 4.74 2.80 0.13 0.00 0.00 -1.26 -4.96 121.76 123.21 1ou4 s ALA 127 Ca 0.38 0.58 0.07 0.00 0.00 0.00 0.00 51.96 52.99 1ou4 s ALA 127 Cb -0.05 -4.05 -0.04 0.00 0.00 0.00 0.00 23.12 18.98 1ou4 s ALA 127 CO -0.00 -2.70 -0.15 0.96 0.00 0.00 0.00 175.76 173.86 1ou4 s ILE 128 N 7.67 1.46 0.89 0.00 -4.36 -1.26 -1.27 121.20 124.33 1ou4 s ILE 128 Ca 0.92 -1.76 -0.14 0.00 -0.26 0.00 0.00 60.65 59.42 1ou4 s ILE 128 Cb -0.29 -1.61 0.14 0.00 1.25 0.00 0.00 42.46 41.95 1ou4 s ILE 128 CO 0.35 -0.38 1.21 0.00 0.24 0.00 0.00 174.94 176.36 1ou4 s ALA 129 N -2.08 2.28 0.00 2.27 0.00 -0.68 -4.88 121.76 118.68 1ou4 s ALA 129 Ca 0.10 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.95 1ou4 s ALA 129 Cb -0.05 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 1ou4 s ALA 129 CO 0.04 -2.11 0.97 0.34 0.00 0.00 0.00 175.76 175.00 1ou4 s ASP 130 N -4.55 7.36 0.17 0.00 -1.08 -0.72 -4.96 116.67 112.89 1ou4 s ASP 130 Ca 0.66 1.65 -0.14 0.00 -0.52 0.00 0.00 52.55 54.20 1ou4 s ASP 130 Cb -0.09 -2.56 0.11 0.00 -1.46 0.00 0.00 42.92 38.92 1ou4 s ASP 130 CO 0.51 -0.24 1.76 0.15 0.52 0.00 0.00 175.17 177.87 1ou4 h PHE 131 N 6.71 0.30 -0.76 -5.34 3.57 -1.95 -2.25 116.94 117.21 1ou4 h PHE 131 Ca -0.41 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 1ou4 h PHE 131 Cb 1.22 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 1ou4 h PHE 131 CO 0.68 0.12 0.40 -0.44 -2.23 0.00 0.00 178.31 176.83 1ou4 h ASP 132 N 0.34 0.96 -0.47 0.41 3.32 -1.99 -1.51 116.42 117.48 1ou4 h ASP 132 Ca 0.20 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1ou4 h ASP 132 Cb 0.18 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1ou4 h ASP 132 CO -0.19 0.79 0.02 0.24 -1.72 0.00 0.00 179.24 178.38 1ou4 h MET 133 N 1.07 0.88 -0.29 3.56 2.86 -1.88 -0.57 114.93 120.56 1ou4 h MET 133 Ca 0.27 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1ou4 h MET 133 Cb 0.06 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1ou4 h MET 133 CO -0.04 0.86 0.08 0.28 1.06 0.00 0.00 176.91 179.16 1ou4 h VAL 134 N 0.82 1.21 -0.65 -2.22 2.07 -0.83 -2.00 116.25 114.65 1ou4 h VAL 134 Ca 0.16 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1ou4 h VAL 134 Cb 0.46 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1ou4 h VAL 134 CO 0.02 0.23 0.18 -0.09 0.02 0.00 0.00 177.57 177.93 1ou4 h ARG 135 N 0.31 1.02 -0.68 1.57 2.43 -1.05 -1.71 114.38 116.26 1ou4 h ARG 135 Ca 0.09 -0.23 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1ou4 h ARG 135 Cb 0.27 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1ou4 h ARG 135 CO -0.00 0.91 0.45 -0.91 -1.51 0.00 0.00 179.97 178.90 1ou4 h ASN 136 N 0.95 0.76 -0.54 -3.80 2.35 -1.01 -0.96 115.58 113.34 1ou4 h ASN 136 Ca 0.21 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 1ou4 h ASN 136 Cb 0.32 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 1ou4 h ASN 136 CO -0.00 0.54 0.18 0.00 -1.65 0.00 0.00 177.43 176.50 1ou4 h ALA 137 N 1.26 1.21 -0.33 -0.83 0.00 -0.99 0.10 119.26 119.69 1ou4 h ALA 137 Ca 0.26 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1ou4 h ALA 137 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1ou4 h ALA 137 CO -0.07 0.55 -0.27 0.28 0.00 0.00 0.00 179.25 179.75 1ou4 h VAL 138 N 0.85 1.29 -0.37 0.00 2.07 -0.79 -2.02 116.25 117.30 1ou4 h VAL 138 Ca 0.19 -1.42 -0.09 0.00 0.82 0.00 0.00 66.70 66.20 1ou4 h VAL 138 Cb 0.26 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1ou4 h VAL 138 CO -0.01 0.46 -0.13 0.44 0.02 0.00 0.00 177.57 178.36 1ou4 h ASP 139 N 0.54 0.75 -0.92 0.57 3.45 -0.95 -1.89 116.42 117.97 1ou4 h ASP 139 Ca 0.06 -0.38 -0.01 0.00 0.43 0.00 0.00 57.03 57.12 1ou4 h ASP 139 Cb 0.83 -0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 39.35 1ou4 h ASP 139 CO 0.07 0.96 0.53 0.00 -1.57 0.00 0.00 179.24 179.23 1ou4 h ALA 140 N 0.81 1.20 -0.59 3.45 0.00 -0.80 -1.49 119.26 121.84 1ou4 h ALA 140 Ca 0.09 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1ou4 h ALA 140 Cb 0.66 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1ou4 h ALA 140 CO 0.04 0.66 0.11 0.00 0.00 0.00 0.00 179.25 180.07 1ou4 h ALA 141 N 1.30 0.78 -0.30 0.00 0.00 -1.21 -2.73 119.26 117.11 1ou4 h ALA 141 Ca 0.33 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ou4 h ALA 141 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ou4 h ALA 141 CO -0.06 0.52 0.17 -0.22 0.00 0.00 0.00 179.25 179.66 1ou4 h LYS 142 N 0.87 0.42 -0.29 0.00 3.64 -0.91 0.79 116.57 121.09 1ou4 h LYS 142 Ca 0.18 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 1ou4 h LYS 142 Cb 0.40 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1ou4 h LYS 142 CO 0.01 0.35 0.25 0.00 -2.27 0.00 0.00 179.45 177.79 1ou4 h ALA 143 N 1.04 2.10 -0.15 5.00 0.00 -1.12 0.38 119.26 126.52 1ou4 h ALA 143 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ou4 h ALA 143 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ou4 h ALA 143 CO -0.02 -0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.11 1ou4 n LEU 144 N -4.11 2.35 -1.51 0.00 4.77 -0.77 -4.95 117.00 112.78 1ou4 n LEU 144 Ca 0.04 -0.90 -0.12 0.00 -0.03 0.00 0.00 56.01 55.00 1ou4 n LEU 144 Cb 0.41 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1ou4 n LEU 144 CO 0.32 0.45 -0.09 0.61 -1.33 0.00 0.00 177.39 177.35 1ou4 n GLY 145 N 1.28 -0.07 3.50 -0.72 0.00 0.13 -5.02 105.19 104.30 1ou4 n GLY 145 Ca 0.17 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.70 3.46 -0.41 -0.61 1.01 0.20 -5.00 121.20 117.14 1ou4 s ILE 146 Ca 0.07 -0.55 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 1ou4 s ILE 146 Cb -0.03 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 40.03 1ou4 s ILE 146 CO 0.08 0.57 0.82 -1.81 0.00 0.00 0.00 174.94 174.60 1ou4 s ASP 147 N -0.39 6.51 -0.06 3.58 1.01 -1.26 -4.01 116.67 122.05 1ou4 s ASP 147 Ca 0.05 0.19 -0.01 0.00 0.71 0.00 0.00 52.55 53.48 1ou4 s ASP 147 Cb -0.12 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 1ou4 s ASP 147 CO 0.02 -0.86 0.02 0.00 0.21 0.00 0.00 175.17 174.57 1ou4 s ALA 148 N 3.31 3.37 -0.17 5.23 0.00 -1.26 -4.10 121.76 128.14 1ou4 s ALA 148 Ca 0.33 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 1ou4 s ALA 148 Cb -0.12 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.48 1ou4 s ALA 148 CO 0.21 0.62 -0.04 1.03 0.00 0.00 0.00 175.76 177.57 1ou4 s ARG 149 N -1.15 3.56 -0.16 0.00 0.52 -0.72 -5.00 118.95 116.00 1ou4 s ARG 149 Ca 0.16 -0.56 -0.04 0.00 -0.52 0.00 0.00 55.73 54.76 1ou4 s ARG 149 Cb -0.11 -2.93 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 1ou4 s ARG 149 CO 0.06 0.11 -0.02 0.08 0.02 0.00 0.00 175.30 175.54 1ou4 s VAL 150 N 0.70 3.99 0.00 3.52 1.01 -1.26 -0.75 120.40 127.61 1ou4 s VAL 150 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1ou4 s VAL 150 Cb -0.15 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1ou4 s VAL 150 CO 0.02 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1ou4 n GLY 151 N 3.58 0.97 3.84 4.51 0.00 -0.87 -4.94 105.19 112.28 1ou4 n GLY 151 Ca -0.17 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 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 2.00 6.82 0.34 1.61 0.02 -1.26 -1.19 114.94 123.28 1ou4 s ASN 152 Ca 0.00 1.04 0.10 0.00 -1.02 0.00 0.00 52.86 52.98 1ou4 s ASN 152 Cb 0.00 -2.28 -0.06 0.00 0.02 0.00 0.00 41.25 38.93 1ou4 s ASN 152 CO 0.00 0.15 -0.09 -0.76 0.02 0.00 0.00 177.10 176.42 1ou4 s LEU 153 N -1.79 2.76 -0.11 0.60 1.43 -0.85 -0.67 118.68 120.06 1ou4 s LEU 153 Ca 0.35 -1.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.31 1ou4 s LEU 153 Cb -0.15 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.02 1ou4 s LEU 153 CO 0.18 -0.19 -0.16 0.12 0.23 0.00 0.00 176.35 176.54 1ou4 s PHE 154 N -2.59 2.02 -0.37 0.29 5.36 -0.26 -0.20 117.98 122.23 1ou4 s PHE 154 Ca 0.33 -0.95 -0.11 0.00 -0.96 0.00 0.00 56.93 55.24 1ou4 s PHE 154 Cb 0.01 -1.45 0.02 0.00 -0.34 0.00 0.00 43.02 41.27 1ou4 s PHE 154 CO 0.17 -0.48 0.21 -1.12 -1.46 0.00 0.00 175.22 172.54 1ou4 s SER 155 N 0.96 5.74 0.15 6.13 0.01 0.19 -0.92 113.70 125.96 1ou4 s SER 155 Ca -0.07 -0.94 -0.02 0.00 1.31 0.00 0.00 55.95 56.23 1ou4 s SER 155 Cb -0.15 -2.03 -0.05 0.00 0.21 0.00 0.00 66.02 64.00 1ou4 s SER 155 CO -0.01 -0.37 0.35 0.00 0.41 0.00 0.00 173.24 173.61 1ou4 s ALA 156 N 1.57 3.86 -0.04 1.44 0.00 -0.45 -2.23 121.76 125.90 1ou4 s ALA 156 Ca 0.02 -0.76 0.09 0.00 0.00 0.00 0.00 51.96 51.32 1ou4 s ALA 156 Cb -0.19 -1.99 -0.23 0.00 0.00 0.00 0.00 23.12 20.70 1ou4 s ALA 156 CO 0.07 0.59 0.68 -0.44 0.00 0.00 0.00 175.76 176.66 1ou4 h ASP 157 N 2.46 0.06 -3.63 0.00 3.45 -1.90 -3.42 116.42 113.44 1ou4 h ASP 157 Ca -0.47 -0.13 -0.69 0.00 0.43 0.00 0.00 57.03 56.17 1ou4 h ASP 157 Cb 1.18 -0.02 -0.33 0.00 -0.56 0.00 0.00 39.33 39.59 1ou4 h ASP 157 CO 0.71 1.12 -0.62 -0.76 -1.57 0.00 0.00 179.24 178.11 1ou4 s LEU 158 N -6.28 4.56 0.47 1.55 1.43 -1.26 -4.93 118.68 114.22 1ou4 s LEU 158 Ca -0.06 -1.61 0.13 0.00 -1.03 0.00 0.00 54.13 51.55 1ou4 s LEU 158 Cb 0.08 -1.78 1.08 0.00 0.03 0.00 0.00 46.19 45.60 1ou4 s LEU 158 CO 0.82 -0.40 2.08 0.15 0.23 0.00 0.00 176.35 179.24 1ou4 h PHE 159 N 8.04 0.16 -2.95 0.29 3.04 -1.98 -2.93 116.94 120.61 1ou4 h PHE 159 Ca -0.17 -0.00 -0.69 0.00 3.98 0.00 0.00 57.97 61.08 1ou4 h PHE 159 Cb 1.06 -0.05 -0.36 0.00 2.56 0.00 0.00 35.95 39.15 1ou4 h PHE 159 CO 0.58 0.15 -0.09 0.66 -2.02 0.00 0.00 178.31 177.59 1ou4 n TYR 160 N -4.47 3.68 -2.48 0.41 4.01 -1.26 -5.07 117.16 111.98 1ou4 n TYR 160 Ca -0.01 -3.88 -0.39 0.00 -0.16 0.00 0.00 57.90 53.46 1ou4 n TYR 160 Cb 0.12 -0.98 -0.04 0.00 -0.31 0.00 0.00 39.34 38.13 1ou4 n TYR 160 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1ou4 s SER 161 N -1.11 7.06 0.00 7.72 1.04 -1.11 -4.95 113.70 122.34 1ou4 s SER 161 Ca 0.31 2.20 0.29 0.00 0.48 0.00 0.00 55.95 59.24 1ou4 s SER 161 Cb 0.01 -2.61 1.58 0.00 0.10 0.00 0.00 66.02 65.10 1ou4 s SER 161 CO -0.06 -0.29 2.04 -0.81 0.98 0.00 0.00 173.24 175.10 1ou4 n PRO 162 N 0.72 0.62 -3.92 4.02 -0.04 -1.26 -4.69 135.00 130.45 1ou4 n PRO 162 Ca 0.01 0.01 -0.29 0.00 -0.04 0.00 0.00 63.50 63.19 1ou4 n PRO 162 Cb 0.46 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.26 1ou4 n PRO 162 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ou4 s ASP 163 N -2.34 2.91 0.00 3.54 1.01 -1.26 -4.98 116.67 115.55 1ou4 s ASP 163 Ca 0.34 -0.68 0.26 0.00 0.71 0.00 0.00 52.55 53.18 1ou4 s ASP 163 Cb 0.20 -1.00 0.60 0.00 1.01 0.00 0.00 42.92 43.73 1ou4 s ASP 163 CO 0.40 -0.16 1.47 0.61 0.21 0.00 0.00 175.17 177.69 1ou4 n GLY 164 N 4.83 -0.63 0.19 0.21 0.00 -1.26 -3.84 105.19 104.68 1ou4 n GLY 164 Ca -0.13 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.60 1ou4 n GLY 164 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ou4 h GLU 165 N 1.16 0.00 0.00 1.61 3.07 -1.99 -2.87 114.58 115.56 1ou4 h GLU 165 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1ou4 h GLU 165 Cb 0.54 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 1ou4 h GLU 165 CO 0.00 0.00 -0.27 1.98 -1.40 0.00 0.00 179.01 179.32 1ou4 h MET 166 N 0.00 0.00 -0.08 2.33 4.05 -2.02 -3.10 114.93 116.12 1ou4 h MET 166 Ca 0.00 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 1ou4 h MET 166 Cb 0.51 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.30 1ou4 h MET 166 CO 0.00 0.27 -0.41 0.74 0.23 0.00 0.00 176.91 177.74 1ou4 h PHE 167 N 0.00 0.20 -0.40 1.39 -1.00 -1.77 -1.64 116.94 113.72 1ou4 h PHE 167 Ca -0.00 -0.05 -0.15 0.00 2.81 0.00 0.00 57.97 60.58 1ou4 h PHE 167 Cb 0.80 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 1ou4 h PHE 167 CO 0.00 0.56 -0.33 -0.44 -1.61 0.00 0.00 178.31 176.49 1ou4 h ASP 168 N 0.14 0.95 -0.30 2.17 3.32 -1.72 -2.25 116.42 118.73 1ou4 h ASP 168 Ca 0.01 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 1ou4 h ASP 168 Cb 0.80 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 1ou4 h ASP 168 CO 0.06 1.19 0.16 0.58 -1.72 0.00 0.00 179.24 179.51 1ou4 h VAL 169 N 0.75 1.13 -0.88 -1.35 2.07 -1.53 0.11 116.25 116.56 1ou4 h VAL 169 Ca 0.07 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1ou4 h VAL 169 Cb 0.91 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1ou4 h VAL 169 CO 0.08 0.13 0.58 0.24 0.02 0.00 0.00 177.57 178.63 1ou4 h MET 170 N 0.37 1.16 -0.27 1.57 2.86 -1.24 -2.00 114.93 117.36 1ou4 h MET 170 Ca 0.11 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 1ou4 h MET 170 Cb 0.07 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.46 1ou4 h MET 170 CO -0.02 0.77 -0.13 1.49 1.06 0.00 0.00 176.91 180.07 1ou4 h GLU 171 N 1.19 0.57 -0.88 1.72 4.81 -0.96 -0.45 114.58 120.60 1ou4 h GLU 171 Ca 0.32 -0.25 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1ou4 h GLU 171 Cb -0.14 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.17 1ou4 h GLU 171 CO -0.07 0.82 0.57 -0.22 -0.73 0.00 0.00 179.01 179.38 1ou4 h LYS 172 N 0.31 0.98 -0.57 1.92 3.64 -0.33 -2.37 116.57 120.15 1ou4 h LYS 172 Ca 0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ou4 h LYS 172 Cb 0.65 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1ou4 h LYS 172 CO 0.04 0.65 0.00 0.66 -2.27 0.00 0.00 179.45 178.53 1ou4 n TYR 173 N -4.48 0.89 -1.09 1.91 4.01 -0.79 -4.96 117.16 112.64 1ou4 n TYR 173 Ca 0.13 -0.39 -0.03 0.00 -0.16 0.00 0.00 57.90 57.45 1ou4 n TYR 173 Cb 0.18 -0.09 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.13 0.62 3.70 2.72 0.00 -0.89 -5.01 105.19 107.47 1ou4 n GLY 174 Ca 0.18 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 1ou4 n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ou4 s ILE 175 N -2.11 2.41 0.07 -0.61 1.09 -0.20 -4.60 121.20 117.24 1ou4 s ILE 175 Ca 0.00 0.11 0.09 0.00 -1.10 0.00 0.00 60.65 59.75 1ou4 s ILE 175 Cb 0.00 -3.07 -0.18 0.00 -1.06 0.00 0.00 42.46 38.14 1ou4 s ILE 175 CO 0.00 0.00 1.22 -0.07 -0.10 0.00 0.00 174.94 175.99 1ou4 h LEU 176 N 7.82 0.00 -7.04 2.97 3.38 -1.23 -3.38 115.31 117.83 1ou4 h LEU 176 Ca -0.44 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1ou4 h LEU 176 Cb 1.21 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 1ou4 h LEU 176 CO 0.95 0.94 0.17 -0.83 0.09 0.00 0.00 178.44 179.76 1ou4 s GLY 177 N -4.73 -0.57 -0.19 0.83 0.00 -1.25 -4.27 107.32 97.14 1ou4 s GLY 177 Ca 0.01 0.63 -0.00 0.00 0.00 0.00 0.00 44.72 45.35 1ou4 s GLY 177 CO 0.81 0.30 -0.16 0.14 0.00 0.00 0.00 173.10 174.19 1ou4 s VAL 178 N -3.14 2.42 0.00 1.40 1.01 -0.05 -1.10 120.40 120.94 1ou4 s VAL 178 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1ou4 s VAL 178 Cb -0.01 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1ou4 s VAL 178 CO -0.07 0.51 0.00 -1.84 0.00 0.00 0.00 175.10 173.70 1ou4 n GLU 179 N 4.60 0.27 -1.06 2.72 -0.00 -0.10 -0.66 120.64 126.40 1ou4 n GLU 179 Ca -0.20 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 56.98 1ou4 n GLU 179 Cb 0.50 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.96 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 0.03 0.00 3.44 2.81 -1.26 -1.34 117.12 120.79 1ou4 n MET 180 Ca 0.00 -1.60 0.00 0.00 -1.81 0.00 0.00 57.70 54.29 1ou4 n MET 180 Cb 0.00 -0.24 0.00 0.00 -0.71 0.00 0.00 33.22 32.27 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 0.26 0.00 -0.31 0.03 4.71 -1.26 -2.59 120.64 121.48 1ou4 n GLU 181 Ca 0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.18 1ou4 n GLU 181 Cb 0.95 -0.35 0.05 0.00 -1.01 0.00 0.00 31.44 31.08 1ou4 n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ou4 h ALA 182 N 0.00 0.23 -0.64 0.62 0.00 -1.94 -0.20 119.26 117.33 1ou4 h ALA 182 Ca 0.00 0.27 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1ou4 h ALA 182 Cb 0.00 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1ou4 h ALA 182 CO 0.00 -0.57 0.43 0.00 0.00 0.00 0.00 179.25 179.10 1ou4 h ALA 183 N 1.42 1.57 -0.07 0.00 0.00 -1.84 -1.50 119.26 118.84 1ou4 h ALA 183 Ca 0.34 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.96 1ou4 h ALA 183 Cb 0.60 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ou4 h ALA 183 CO -0.88 0.39 -0.92 0.78 0.00 0.00 0.00 179.25 178.62 1ou4 h GLY 184 N 0.84 0.80 1.62 0.00 0.00 -1.45 -2.62 103.07 102.27 1ou4 h GLY 184 Ca 0.24 -1.27 -0.07 0.00 0.00 0.00 0.00 47.33 46.23 1ou4 h GLY 184 CO -0.06 1.13 -0.16 -2.22 0.00 0.00 0.00 176.54 175.24 1ou4 h ILE 185 N 0.45 1.23 -0.06 2.60 2.04 -0.90 -2.14 117.51 120.74 1ou4 h ILE 185 Ca -0.09 -1.05 -0.18 0.00 1.00 0.00 0.00 64.86 64.54 1ou4 h ILE 185 Cb 1.56 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1ou4 h ILE 185 CO 0.18 0.34 -0.72 1.88 0.00 0.00 0.00 178.15 179.83 1ou4 h TYR 186 N 0.42 0.43 -0.49 1.37 0.99 -1.30 -2.21 116.97 116.18 1ou4 h TYR 186 Ca 0.07 -0.19 -0.06 0.00 2.00 0.00 0.00 58.73 60.56 1ou4 h TYR 186 Cb 0.52 -0.06 -0.02 0.00 1.00 0.00 0.00 36.73 38.17 1ou4 h TYR 186 CO 0.02 0.93 0.09 0.78 -0.00 0.00 0.00 178.16 179.98 1ou4 h GLY 187 N 1.45 0.86 0.90 3.88 0.00 -1.11 -2.29 103.07 106.77 1ou4 h GLY 187 Ca -0.03 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 1ou4 h GLY 187 CO 0.12 0.53 0.10 -2.08 0.00 0.00 0.00 176.54 175.20 1ou4 h VAL 188 N 0.68 1.18 -0.57 4.60 2.07 -1.36 -0.47 116.25 122.39 1ou4 h VAL 188 Ca 0.15 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.16 1ou4 h VAL 188 Cb 0.38 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 1ou4 h VAL 188 CO 0.01 0.19 0.25 0.00 0.02 0.00 0.00 177.57 178.04 1ou4 h ALA 189 N 0.93 0.73 -0.21 1.67 0.00 -1.31 -0.16 119.26 120.92 1ou4 h ALA 189 Ca 0.09 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 1ou4 h ALA 189 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ou4 h ALA 189 CO -0.01 -0.14 -0.53 0.00 0.00 0.00 0.00 179.25 178.58 1ou4 h ALA 190 N 1.35 0.69 -0.50 0.00 0.00 -1.29 0.14 119.26 119.65 1ou4 h ALA 190 Ca 0.27 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1ou4 h ALA 190 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ou4 h ALA 190 CO -0.23 0.68 -0.12 1.49 0.00 0.00 0.00 179.25 181.07 1ou4 h GLU 191 N 0.46 0.93 -0.43 0.00 4.81 -0.43 -3.24 114.58 116.68 1ou4 h GLU 191 Ca 0.01 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1ou4 h GLU 191 Cb 1.07 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1ou4 h GLU 191 CO 0.10 0.99 0.00 1.19 -0.73 0.00 0.00 179.01 180.56 1ou4 n PHE 192 N -4.15 0.96 -2.30 0.92 3.01 -0.13 -5.00 117.46 110.77 1ou4 n PHE 192 Ca 0.01 -0.65 -0.11 0.00 1.01 0.00 0.00 57.45 57.71 1ou4 n PHE 192 Cb 0.39 -0.19 -0.00 0.00 -0.01 0.00 0.00 39.48 39.68 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 0.42 -0.06 0.18 1.37 0.00 -0.43 -4.97 105.19 101.69 1ou4 n GLY 193 Ca 0.19 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.77 0.04 -2.50 4.61 0.00 0.35 -5.02 120.51 116.22 1ou4 n ALA 194 Ca -0.12 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 52.97 1ou4 n ALA 194 Cb 0.59 0.04 -0.15 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.10 1.38 0.07 0.00 1.02 -0.66 -4.52 119.74 114.91 1ou4 s LYS 195 Ca 0.01 -0.75 -0.05 0.00 0.02 0.00 0.00 55.97 55.21 1ou4 s LYS 195 Cb -0.00 -1.38 -0.02 0.00 -0.52 0.00 0.00 37.83 35.91 1ou4 s LYS 195 CO 0.01 0.37 0.08 0.00 -0.92 0.00 0.00 175.35 174.89 1ou4 s ALA 196 N -0.58 0.11 -0.11 5.17 0.00 -1.26 -1.97 121.76 123.12 1ou4 s ALA 196 Ca 0.06 -0.87 -0.18 0.00 0.00 0.00 0.00 51.96 50.98 1ou4 s ALA 196 Cb -0.08 0.37 0.04 0.00 0.00 0.00 0.00 23.12 23.45 1ou4 s ALA 196 CO 0.00 -0.43 0.45 -1.17 0.00 0.00 0.00 175.76 174.61 1ou4 s LEU 197 N -2.81 0.30 -0.14 0.00 2.96 -0.69 -1.75 118.68 116.56 1ou4 s LEU 197 Ca 0.05 0.66 0.02 0.00 -0.22 0.00 0.00 54.13 54.64 1ou4 s LEU 197 Cb 0.06 1.61 0.01 0.00 0.50 0.00 0.00 46.19 48.37 1ou4 s LEU 197 CO -0.10 -0.30 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.54 1ou4 s THR 198 N -0.38 1.93 -0.07 3.68 2.01 -1.26 -0.68 115.64 120.87 1ou4 s THR 198 Ca -0.05 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.09 1ou4 s THR 198 Cb -0.03 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 1ou4 s THR 198 CO 0.03 0.52 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.64 1ou4 s ILE 199 N 0.89 2.41 0.05 1.82 -1.09 -0.21 -1.46 121.20 123.62 1ou4 s ILE 199 Ca -0.06 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.44 1ou4 s ILE 199 Cb -0.15 -1.92 -0.03 0.00 -1.58 0.00 0.00 42.46 38.78 1ou4 s ILE 199 CO -0.03 0.57 -0.07 0.00 -1.23 0.00 0.00 174.94 174.18 1ou4 s THR 201 N -2.06 3.22 -0.41 0.00 -4.23 -1.00 0.67 115.64 111.83 1ou4 s THR 201 Ca -0.05 -0.87 -0.29 0.00 -1.18 0.00 0.00 61.69 59.30 1ou4 s THR 201 Cb -0.05 -2.34 0.02 0.00 1.34 0.00 0.00 72.50 71.47 1ou4 s THR 201 CO -0.02 0.44 1.11 -0.69 -0.54 0.00 0.00 174.62 174.92 1ou4 s VAL 202 N -0.89 4.34 -0.22 2.29 1.01 -1.17 -1.84 120.40 123.93 1ou4 s VAL 202 Ca 0.14 1.44 0.22 0.00 0.00 0.00 0.00 61.98 63.79 1ou4 s VAL 202 Cb -0.11 -4.52 -0.17 0.00 0.00 0.00 0.00 36.38 31.58 1ou4 s VAL 202 CO 0.04 -0.78 0.79 -1.54 0.00 0.00 0.00 175.10 173.61 1ou4 n SER 203 N 7.41 0.44 -3.90 3.32 3.41 -0.95 -3.39 113.62 119.96 1ou4 n SER 203 Ca 0.12 0.07 -0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1ou4 n SER 203 Cb 0.48 1.21 -0.07 0.00 -0.26 0.00 0.00 64.21 65.57 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 -4.71 0.01 -0.35 4.04 -1.08 -1.25 -4.17 116.67 109.17 1ou4 s ASP 204 Ca -0.03 -0.77 0.01 0.00 -0.52 0.00 0.00 52.55 51.25 1ou4 s ASP 204 Cb 0.12 0.43 0.11 0.00 -1.46 0.00 0.00 42.92 42.12 1ou4 s ASP 204 CO 0.85 -0.88 0.11 -2.28 0.52 0.00 0.00 175.17 173.49 1ou4 s HIS 205 N -3.93 2.43 -0.60 -5.34 2.46 -1.06 -0.60 115.29 108.65 1ou4 s HIS 205 Ca 0.14 -2.27 0.10 0.00 0.47 0.00 0.00 55.06 53.49 1ou4 s HIS 205 Cb 0.03 -2.15 0.52 0.00 -0.13 0.00 0.00 32.58 30.85 1ou4 s HIS 205 CO -0.03 -0.88 1.28 -0.89 -2.47 0.00 0.00 174.74 171.75 1ou4 n ILE 206 N 4.42 1.49 0.00 0.89 5.41 -0.97 0.56 119.36 131.16 1ou4 n ILE 206 Ca 0.02 0.61 0.00 0.00 1.00 0.00 0.00 62.75 64.38 1ou4 n ILE 206 Cb 0.41 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 1ou4 n ILE 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1ou4 n ARG 207 N -1.83 0.00 -0.01 0.38 5.12 -1.26 -4.47 116.66 114.59 1ou4 n ARG 207 Ca -0.01 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.03 1ou4 n ARG 207 Cb 0.04 -0.20 0.62 0.00 -1.16 0.00 0.00 32.46 31.77 1ou4 n ARG 207 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1ou4 n THR 208 N -0.17 0.04 -2.63 0.55 -2.24 -1.24 -4.98 114.28 103.61 1ou4 n THR 208 Ca 0.00 -0.09 -0.05 0.00 -2.27 0.00 0.00 64.05 61.64 1ou4 n THR 208 Cb 0.00 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 1ou4 n THR 208 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ou4 n HIS 209 N -0.55 -4.23 -3.47 4.78 8.25 0.19 -5.04 115.22 115.15 1ou4 n HIS 209 Ca 0.18 2.47 -0.17 0.00 -0.26 0.00 0.00 57.72 59.93 1ou4 n HIS 209 Cb 0.15 -3.73 -0.12 0.00 1.12 0.00 0.00 29.99 27.41 1ou4 n HIS 209 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1ou4 s GLU 210 N -0.62 0.22 0.00 -0.41 2.56 -1.20 -4.90 118.70 114.36 1ou4 s GLU 210 Ca -0.27 0.22 0.00 0.00 0.00 0.00 0.00 54.97 54.92 1ou4 s GLU 210 Cb 0.02 -1.10 0.00 0.00 2.00 0.00 0.00 34.13 35.04 1ou4 s GLU 210 CO 0.72 -0.67 0.00 1.04 -0.56 0.00 0.00 175.26 175.79 1ou4 n GLN 211 N 5.32 1.55 -3.57 4.30 3.00 -1.26 -2.55 117.38 124.18 1ou4 n GLN 211 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1ou4 n GLN 211 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.68 1ou4 n GLN 211 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1ou4 s THR 212 N 0.00 -0.08 -0.41 5.09 -1.32 -1.26 -4.61 115.64 113.05 1ou4 s THR 212 Ca 0.00 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.55 1ou4 s THR 212 Cb 0.00 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.17 1ou4 s THR 212 CO 0.00 0.00 0.60 -0.89 -2.21 0.00 0.00 174.62 172.12 1ou4 s THR 213 N 1.47 -0.88 -0.12 5.08 2.01 -1.26 -5.10 115.64 116.83 1ou4 s THR 213 Ca -0.07 -0.26 -0.32 0.00 0.31 0.00 0.00 61.69 61.35 1ou4 s THR 213 Cb -0.03 -0.11 0.13 0.00 0.01 0.00 0.00 72.50 72.49 1ou4 s THR 213 CO -0.14 -0.10 1.07 0.00 -0.69 0.00 0.00 174.62 174.77 1ou4 s ALA 214 N 1.69 -1.97 -0.44 7.40 0.00 -1.26 -4.98 121.76 122.19 1ou4 s ALA 214 Ca 0.17 1.40 0.24 0.00 0.00 0.00 0.00 51.96 53.78 1ou4 s ALA 214 Cb -0.05 -0.07 1.01 0.00 0.00 0.00 0.00 23.12 24.00 1ou4 s ALA 214 CO -0.06 -0.57 1.72 0.00 0.00 0.00 0.00 175.76 176.84 1ou4 n ALA 215 N -0.01 1.63 -0.01 0.00 0.00 -1.26 -2.30 120.51 118.56 1ou4 n ALA 215 Ca -0.04 0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1ou4 n ALA 215 Cb 0.59 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 1ou4 n ALA 215 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ou4 h GLU 216 N 0.00 0.65 -0.30 0.00 5.08 -1.99 -2.03 114.58 116.00 1ou4 h GLU 216 Ca 0.00 -0.48 -0.12 0.00 -1.00 0.00 0.00 59.36 57.76 1ou4 h GLU 216 Cb 0.35 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1ou4 h GLU 216 CO 0.00 1.10 -0.32 0.07 -1.00 0.00 0.00 179.01 178.86 1ou4 h ARG 217 N 0.47 0.63 0.00 2.33 0.11 -1.85 -2.16 114.38 113.91 1ou4 h ARG 217 Ca -0.02 -0.28 -0.03 0.00 0.10 0.00 0.00 59.98 59.74 1ou4 h ARG 217 Cb 1.27 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 32.33 1ou4 h ARG 217 CO 0.13 0.87 -0.16 1.96 0.10 0.00 0.00 179.97 182.87 1ou4 h GLN 218 N 0.54 0.00 -0.04 0.08 4.20 -1.54 -2.20 115.11 116.14 1ou4 h GLN 218 Ca 0.06 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.54 1ou4 h GLN 218 Cb 0.81 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.60 1ou4 h GLN 218 CO 0.07 0.16 -0.91 1.15 -0.67 0.00 0.00 178.83 178.63 1ou4 h THR 219 N 0.00 1.34 -0.05 -0.54 2.02 -0.78 -3.04 112.91 111.85 1ou4 h THR 219 Ca -0.00 -2.25 -0.17 0.00 0.77 0.00 0.00 66.41 64.76 1ou4 h THR 219 Cb 0.73 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 1ou4 h THR 219 CO 0.02 0.69 -0.70 0.74 0.37 0.00 0.00 175.52 176.64 1ou4 h THR 220 N 0.34 1.41 -0.25 3.16 2.02 -1.14 -2.23 112.91 116.22 1ou4 h THR 220 Ca -0.08 -2.17 -0.08 0.00 0.77 0.00 0.00 66.41 64.84 1ou4 h THR 220 Cb 1.54 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 70.07 1ou4 h THR 220 CO 0.17 0.64 -0.19 0.15 0.37 0.00 0.00 175.52 176.67 1ou4 h PHE 221 N 0.18 0.49 -0.06 3.16 3.04 -1.44 -1.65 116.94 120.65 1ou4 h PHE 221 Ca -0.02 -0.09 -0.18 0.00 3.98 0.00 0.00 57.97 61.66 1ou4 h PHE 221 Cb 1.25 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.62 1ou4 h PHE 221 CO 0.03 0.61 -0.73 -0.91 -2.02 0.00 0.00 178.31 175.29 1ou4 h ASN 222 N 0.41 0.41 -0.67 0.41 -0.26 -1.41 -2.50 115.58 111.98 1ou4 h ASN 222 Ca 0.07 -0.27 -0.02 0.00 -0.56 0.00 0.00 56.30 55.52 1ou4 h ASN 222 Cb 0.56 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.67 1ou4 h ASN 222 CO 0.04 1.00 0.34 0.44 -1.06 0.00 0.00 177.43 178.19 1ou4 h ASP 223 N 0.23 0.86 -0.34 5.81 3.32 -0.93 0.09 116.42 125.46 1ou4 h ASP 223 Ca -0.03 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.91 1ou4 h ASP 223 Cb 1.30 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1ou4 h ASP 223 CO 0.12 0.73 0.21 -0.03 -1.72 0.00 0.00 179.24 178.56 1ou4 h MET 224 N 0.92 0.42 -0.86 3.56 1.85 -1.19 0.61 114.93 120.24 1ou4 h MET 224 Ca 0.23 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.29 1ou4 h MET 224 Cb 0.09 -0.10 -0.04 0.00 0.43 0.00 0.00 31.60 31.98 1ou4 h MET 224 CO -0.03 0.28 0.50 0.82 -0.40 0.00 0.00 176.91 178.08 1ou4 h ILE 225 N 0.43 1.24 -0.06 1.77 1.08 -0.98 -1.39 117.51 119.61 1ou4 h ILE 225 Ca 0.13 -0.55 -0.12 0.00 -0.39 0.00 0.00 64.86 63.93 1ou4 h ILE 225 Cb -0.03 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 33.75 1ou4 h ILE 225 CO -0.04 0.26 -0.49 0.11 -0.69 0.00 0.00 178.15 177.30 1ou4 h LYS 226 N 1.19 0.15 -0.64 2.37 1.57 -0.50 -1.65 116.57 119.06 1ou4 h LYS 226 Ca 0.31 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1ou4 h LYS 226 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1ou4 h LYS 226 CO -0.05 0.61 0.06 0.82 -0.57 0.00 0.00 179.45 180.32 1ou4 h ILE 227 N 0.12 1.26 -0.28 1.86 2.04 0.02 -0.96 117.51 121.57 1ou4 h ILE 227 Ca 0.00 -1.09 -0.09 0.00 1.00 0.00 0.00 64.86 64.69 1ou4 h ILE 227 Cb 0.91 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1ou4 h ILE 227 CO 0.07 0.40 -0.17 0.00 0.00 0.00 0.00 178.15 178.45 1ou4 h ALA 228 N 1.02 0.40 0.01 1.87 0.00 -1.00 -1.66 119.26 119.90 1ou4 h ALA 228 Ca 0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1ou4 h ALA 228 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ou4 h ALA 228 CO 0.02 0.32 -0.00 -0.07 0.00 0.00 0.00 179.25 179.51 1ou4 h LEU 229 N 0.36 -0.01 -1.25 0.00 3.38 -1.22 -3.03 115.31 113.54 1ou4 h LEU 229 Ca 0.06 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1ou4 h LEU 229 Cb 0.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1ou4 h LEU 229 CO 0.05 0.20 -0.03 -0.33 0.09 0.00 0.00 178.44 178.41 1ou4 h GLU 230 N -0.22 0.47 0.00 1.13 4.39 -1.22 -2.68 114.58 116.46 1ou4 h GLU 230 Ca -0.00 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 1ou4 h GLU 230 Cb 0.21 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1ou4 h GLU 230 CO 0.00 0.53 -0.21 0.66 -1.16 0.00 0.00 179.01 178.83 1ou4 h SER 231 N 0.45 0.00 0.15 1.42 4.64 -1.21 -1.76 113.55 117.24 1ou4 h SER 231 Ca 0.10 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.24 1ou4 h SER 231 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1ou4 h SER 231 CO 0.01 0.21 -0.65 -0.37 -0.87 0.00 0.00 176.83 175.17 1ou4 h VAL 232 N 0.00 1.35 -0.72 0.95 -1.51 -1.36 -2.09 116.25 112.86 1ou4 h VAL 232 Ca -0.00 -1.97 -0.04 0.00 -1.23 0.00 0.00 66.70 63.45 1ou4 h VAL 232 Cb 0.40 1.95 -0.03 0.00 -2.13 0.00 0.00 31.29 31.48 1ou4 h VAL 232 CO 0.03 0.60 0.28 -0.07 -1.23 0.00 0.00 177.57 177.17 1ou4 h LEU 233 N 0.35 1.01 -1.13 4.19 3.38 -1.31 -1.69 115.31 120.11 1ou4 h LEU 233 Ca -0.01 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1ou4 h LEU 233 Cb 1.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1ou4 h LEU 233 CO 0.12 0.91 -0.02 -0.07 0.09 0.00 0.00 178.44 179.47 1ou4 h LEU 234 N 1.04 0.55 -0.67 1.67 3.38 -1.19 -2.88 115.31 117.22 1ou4 h LEU 234 Ca 0.24 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1ou4 h LEU 234 Cb 0.23 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1ou4 h LEU 234 CO -0.02 0.64 -0.08 1.23 0.09 0.00 0.00 178.44 180.30 1ou4 h GLY 235 N 0.89 1.03 1.93 0.83 0.00 -0.67 -3.01 103.07 104.07 1ou4 h GLY 235 Ca 0.11 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1ou4 h GLY 235 CO 0.02 0.73 0.00 -0.55 0.00 0.00 0.00 176.54 176.74 1ou4 h ASP 236 N 0.86 0.08 0.00 0.19 3.32 -1.11 -3.52 116.42 116.25 1ou4 h ASP 236 Ca 0.14 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1ou4 h ASP 236 Cb 0.61 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1ou4 h ASP 236 CO 0.04 0.10 0.00 0.29 -1.72 0.00 0.00 179.24 177.95