#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ux2 h GLU 0 N 0.00 -0.06 -4.88 5.55 4.81 -0.76 -3.43 114.58 115.81 1ux2 h GLU 0 Ca 0.00 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.59 1ux2 h GLU 0 Cb 0.00 0.01 -0.19 0.00 0.63 0.00 0.00 28.75 29.21 1ux2 h GLU 0 CO 0.00 -0.04 -0.54 -0.06 -0.73 0.00 0.00 179.01 177.63 1ux2 s PHE 1 N -2.02 3.19 0.89 0.92 0.08 -1.26 -5.05 117.98 114.72 1ux2 s PHE 1 Ca -0.01 -0.09 -0.14 0.00 0.12 0.00 0.00 56.93 56.81 1ux2 s PHE 1 Cb 0.00 -2.35 0.14 0.00 -0.57 0.00 0.00 43.02 40.24 1ux2 s PHE 1 CO 0.03 -0.25 1.25 0.16 -0.10 0.00 0.00 175.22 176.31 1ux2 s ASP 2 N 1.71 3.79 0.36 1.36 1.47 -1.26 -4.22 116.67 119.88 1ux2 s ASP 2 Ca 0.07 0.50 0.07 0.00 1.18 0.00 0.00 52.55 54.37 1ux2 s ASP 2 Cb -0.16 -0.76 0.77 0.00 -0.34 0.00 0.00 42.92 42.43 1ux2 s ASP 2 CO 0.09 -2.33 1.93 0.03 0.68 0.00 0.00 175.17 175.57 1ux2 h ARG 3 N -1.35 0.71 -1.00 2.11 3.08 -1.98 -1.16 114.38 114.80 1ux2 h ARG 3 Ca -0.45 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.56 1ux2 h ARG 3 Cb 1.28 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 31.12 1ux2 h ARG 3 CO 0.51 0.47 0.65 0.00 -1.07 0.00 0.00 179.97 180.53 1ux2 h ALA 4 N 1.60 1.27 -0.40 0.04 0.00 -1.99 -1.41 119.26 118.38 1ux2 h ALA 4 Ca 0.36 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1ux2 h ALA 4 Cb 0.41 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ux2 h ALA 4 CO -0.13 0.67 -0.35 -0.44 0.00 0.00 0.00 179.25 178.99 1ux2 h ASP 5 N 1.36 1.00 -0.20 0.00 3.32 -1.59 -0.72 116.42 119.57 1ux2 h ASP 5 Ca 0.36 -0.45 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1ux2 h ASP 5 Cb -0.14 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.13 1ux2 h ASP 5 CO -0.08 1.24 0.00 0.40 -1.72 0.00 0.00 179.24 179.09 1ux2 h ILE 6 N 0.76 1.25 -0.54 0.35 2.04 -1.18 -0.55 117.51 119.65 1ux2 h ILE 6 Ca 0.07 -0.86 -0.10 0.00 1.00 0.00 0.00 64.86 64.97 1ux2 h ILE 6 Cb 0.94 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 1ux2 h ILE 6 CO 0.09 0.26 -0.06 -0.07 0.00 0.00 0.00 178.15 178.37 1ux2 h LEU 7 N 0.12 0.97 -0.16 1.44 3.38 -1.26 -1.16 115.31 118.63 1ux2 h LEU 7 Ca 0.06 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1ux2 h LEU 7 Cb 0.38 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1ux2 h LEU 7 CO 0.01 1.06 0.10 0.22 0.09 0.00 0.00 178.44 179.91 1ux2 h TYR 8 N 0.88 0.18 -0.49 1.13 3.20 -1.02 -0.31 116.97 120.55 1ux2 h TYR 8 Ca 0.15 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 1ux2 h TYR 8 Cb 0.60 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1ux2 h TYR 8 CO 0.04 0.11 0.13 -0.91 -1.64 0.00 0.00 178.16 175.89 1ux2 h ASN 9 N 0.20 0.74 -0.01 -2.11 2.35 -0.84 -0.29 115.58 115.62 1ux2 h ASN 9 Ca 0.06 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1ux2 h ASN 9 Cb -0.01 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 1ux2 h ASN 9 CO -0.02 0.77 0.01 0.40 -1.65 0.00 0.00 177.43 176.94 1ux2 h ILE 10 N 0.67 1.02 -0.98 2.81 2.04 -1.20 -2.36 117.51 119.51 1ux2 h ILE 10 Ca 0.15 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.02 1ux2 h ILE 10 Cb 0.32 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 1ux2 h ILE 10 CO 0.00 0.01 0.63 -0.09 0.00 0.00 0.00 178.15 178.71 1ux2 h ARG 11 N 0.00 1.17 0.00 2.37 2.43 -0.78 0.99 114.38 120.55 1ux2 h ARG 11 Ca 0.01 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 1ux2 h ARG 11 Cb 0.01 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1ux2 h ARG 11 CO -0.00 0.77 -0.39 1.96 -1.51 0.00 0.00 179.97 180.80 1ux2 h GLN 12 N 1.20 0.00 0.00 0.20 1.08 -0.94 -3.39 115.11 113.27 1ux2 h GLN 12 Ca 0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 1ux2 h GLN 12 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1ux2 h GLN 12 CO -0.14 0.39 0.00 0.25 -0.95 0.00 0.00 178.83 178.38 1ux2 n THR 13 N -3.43 0.00 -2.38 -0.54 -2.24 -0.90 -5.01 114.28 99.78 1ux2 n THR 13 Ca 0.00 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 1ux2 n THR 13 Cb 0.56 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.83 1ux2 n THR 13 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ux2 s SER 14 N -0.45 7.08 -0.57 3.42 0.15 0.32 -4.97 113.70 118.68 1ux2 s SER 14 Ca 0.00 2.18 -0.04 0.00 0.70 0.00 0.00 55.95 58.79 1ux2 s SER 14 Cb 0.00 -2.60 0.15 0.00 -1.71 0.00 0.00 66.02 61.86 1ux2 s SER 14 CO 0.00 -0.40 0.40 -0.13 1.20 0.00 0.00 173.24 174.31 1ux2 s ARG 15 N 0.13 2.49 0.41 5.44 0.52 -1.26 -4.95 118.95 121.73 1ux2 s ARG 15 Ca 0.55 -2.29 0.29 0.00 -0.52 0.00 0.00 55.73 53.75 1ux2 s ARG 15 Cb -0.32 -3.76 1.38 0.00 0.52 0.00 0.00 34.95 32.77 1ux2 s ARG 15 CO 0.34 -1.16 1.87 -1.35 0.02 0.00 0.00 175.30 175.03 1ux2 h PRO 16 N 7.44 0.00 0.00 3.54 0.11 -1.82 -0.92 132.00 140.35 1ux2 h PRO 16 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1ux2 h PRO 16 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1ux2 h PRO 16 CO 0.73 0.00 -0.23 -0.40 -0.21 0.00 0.00 178.00 177.88 1ux2 n ASP 17 N -2.57 0.30 -4.38 -2.05 5.75 -1.26 -3.98 116.55 108.36 1ux2 n ASP 17 Ca -0.00 0.20 -0.39 0.00 -0.01 0.00 0.00 54.79 54.59 1ux2 n ASP 17 Cb 0.16 -0.20 -0.12 0.00 -1.03 0.00 0.00 41.12 39.94 1ux2 n ASP 17 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1ux2 s VAL 18 N -3.02 4.39 0.16 2.12 1.01 -0.35 -5.07 120.40 119.65 1ux2 s VAL 18 Ca 0.12 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 61.08 1ux2 s VAL 18 Cb 0.17 -3.35 -0.11 0.00 0.00 0.00 0.00 36.38 33.09 1ux2 s VAL 18 CO 0.61 -0.07 1.80 -0.51 0.00 0.00 0.00 175.10 176.93 1ux2 s ILE 19 N 1.55 2.31 -1.50 2.22 2.07 -1.26 -4.82 121.20 121.76 1ux2 s ILE 19 Ca 0.03 0.02 -0.11 0.00 -1.41 0.00 0.00 60.65 59.17 1ux2 s ILE 19 Cb -0.18 -3.01 0.01 0.00 0.13 0.00 0.00 42.46 39.41 1ux2 s ILE 19 CO 0.05 0.00 2.52 -0.81 -1.91 0.00 0.00 174.94 174.80 1ux2 n PRO 20 N 5.01 3.50 -2.20 3.50 -0.04 -1.26 -4.95 135.00 138.56 1ux2 n PRO 20 Ca 0.17 -2.63 -0.41 0.00 -0.04 0.00 0.00 63.50 60.59 1ux2 n PRO 20 Cb 0.37 -2.97 -0.03 0.00 -0.04 0.00 0.00 33.50 30.83 1ux2 n PRO 20 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ux2 s THR 21 N 1.95 2.96 -0.11 0.52 -4.23 -1.26 -4.83 115.64 110.65 1ux2 s THR 21 Ca 0.57 0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 61.98 1ux2 s THR 21 Cb 0.16 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.38 1ux2 s THR 21 CO -0.07 0.20 -0.06 -1.58 -0.54 0.00 0.00 174.62 172.57 1ux2 s GLN 22 N -1.32 3.21 -0.75 3.99 0.74 -1.26 -4.78 119.66 119.49 1ux2 s GLN 22 Ca 0.50 -0.54 -0.09 0.00 0.05 0.00 0.00 55.36 55.27 1ux2 s GLN 22 Cb -0.38 -2.74 0.09 0.00 1.10 0.00 0.00 33.01 31.09 1ux2 s GLN 22 CO 0.47 0.44 0.24 2.89 -0.55 0.00 0.00 175.29 178.78 1ux2 n ARG 23 N 2.90 -0.89 -1.60 1.67 1.85 -1.26 0.43 116.66 119.76 1ux2 n ARG 23 Ca -0.18 0.06 -0.15 0.00 -1.00 0.00 0.00 57.85 56.58 1ux2 n ARG 23 Cb 0.53 -1.88 -0.05 0.00 -1.05 0.00 0.00 32.46 30.00 1ux2 n ARG 23 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1ux2 n ASP 24 N -0.51 -4.76 -4.90 2.89 2.03 -1.26 -5.02 116.55 105.02 1ux2 n ASP 24 Ca 0.05 0.30 -0.29 0.00 0.52 0.00 0.00 54.79 55.36 1ux2 n ASP 24 Cb 0.18 -3.65 -0.03 0.00 -0.72 0.00 0.00 41.12 36.90 1ux2 n ASP 24 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ux2 s ARG 25 N -3.57 3.67 0.62 -0.67 0.52 0.17 -4.98 118.95 114.71 1ux2 s ARG 25 Ca 0.00 0.09 -0.17 0.00 -0.52 0.00 0.00 55.73 55.13 1ux2 s ARG 25 Cb 0.00 -2.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.84 1ux2 s ARG 25 CO 0.00 0.19 1.16 -1.25 0.02 0.00 0.00 175.30 175.42 1ux2 s PRO 26 N -3.52 2.88 -0.07 3.54 0.04 -1.17 -4.00 135.00 132.70 1ux2 s PRO 26 Ca 0.45 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 1ux2 s PRO 26 Cb -0.11 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1ux2 s PRO 26 CO 0.29 -1.24 1.33 0.08 0.04 0.00 0.00 177.00 177.50 1ux2 s VAL 27 N -1.89 4.02 -0.54 -0.36 1.01 0.31 -4.79 120.40 118.16 1ux2 s VAL 27 Ca 0.73 1.32 -0.26 0.00 0.00 0.00 0.00 61.98 63.77 1ux2 s VAL 27 Cb -0.26 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1ux2 s VAL 27 CO 0.36 -0.05 1.05 0.00 0.00 0.00 0.00 175.10 176.46 1ux2 s ALA 28 N 2.83 3.11 -0.25 5.51 0.00 -1.26 -1.58 121.76 130.11 1ux2 s ALA 28 Ca 0.60 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.53 1ux2 s ALA 28 Cb -0.27 -3.84 -0.05 0.00 0.00 0.00 0.00 23.12 18.96 1ux2 s ALA 28 CO 0.22 -2.41 0.16 0.08 0.00 0.00 0.00 175.76 173.81 1ux2 s VAL 29 N 4.33 5.26 -0.08 0.00 1.01 0.13 -4.41 120.40 126.64 1ux2 s VAL 29 Ca 0.38 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 1ux2 s VAL 29 Cb -0.10 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1ux2 s VAL 29 CO 0.24 0.32 0.44 -0.44 0.00 0.00 0.00 175.10 175.65 1ux2 s SER 30 N 1.31 6.70 -0.06 3.32 0.01 0.06 -1.19 113.70 123.85 1ux2 s SER 30 Ca 0.07 0.84 0.02 0.00 1.31 0.00 0.00 55.95 58.19 1ux2 s SER 30 Cb -0.14 -2.27 0.01 0.00 0.21 0.00 0.00 66.02 63.83 1ux2 s SER 30 CO 0.07 0.12 -0.13 -0.69 0.41 0.00 0.00 173.24 173.02 1ux2 s VAL 31 N 0.03 1.16 -0.09 3.43 1.01 -0.52 -1.70 120.40 123.71 1ux2 s VAL 31 Ca 0.24 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1ux2 s VAL 31 Cb -0.15 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.22 1ux2 s VAL 31 CO 0.11 0.36 0.21 -0.55 0.00 0.00 0.00 175.10 175.22 1ux2 s SER 32 N 0.57 -0.10 -0.14 3.32 0.15 -0.38 -3.68 113.70 113.43 1ux2 s SER 32 Ca -0.13 0.45 -0.12 0.00 0.70 0.00 0.00 55.95 56.85 1ux2 s SER 32 Cb -0.15 0.35 -0.05 0.00 -1.71 0.00 0.00 66.02 64.46 1ux2 s SER 32 CO 0.03 -0.17 0.25 -0.76 1.20 0.00 0.00 173.24 173.79 1ux2 s LEU 33 N 1.39 4.29 -0.27 3.45 1.43 -1.26 -1.05 118.68 126.66 1ux2 s LEU 33 Ca -0.08 0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 1ux2 s LEU 33 Cb -0.11 -2.29 0.06 0.00 0.03 0.00 0.00 46.19 43.87 1ux2 s LEU 33 CO -0.08 0.19 -0.09 -0.54 0.23 0.00 0.00 176.35 176.07 1ux2 s LYS 34 N 0.01 2.31 0.09 1.70 -0.14 -0.59 -4.97 119.74 118.17 1ux2 s LYS 34 Ca 0.15 -1.31 -0.30 0.00 -1.36 0.00 0.00 55.97 53.15 1ux2 s LYS 34 Cb -0.13 -2.94 -0.05 0.00 -1.68 0.00 0.00 37.83 33.03 1ux2 s LYS 34 CO 0.04 -0.57 1.05 -0.06 -0.76 0.00 0.00 175.35 175.05 1ux2 s PHE 35 N 1.14 3.65 -0.12 3.18 0.08 -1.26 -0.44 117.98 124.21 1ux2 s PHE 35 Ca -0.08 1.63 0.03 0.00 0.12 0.00 0.00 56.93 58.63 1ux2 s PHE 35 Cb -0.20 -3.20 -0.09 0.00 -0.57 0.00 0.00 43.02 38.97 1ux2 s PHE 35 CO -0.04 -0.33 -0.08 -0.89 -0.10 0.00 0.00 175.22 173.77 1ux2 n ILE 36 N 3.19 0.70 -3.60 0.64 2.08 0.71 -3.15 119.36 119.93 1ux2 n ILE 36 Ca 0.05 -0.30 -0.16 0.00 0.56 0.00 0.00 62.75 62.89 1ux2 n ILE 36 Cb 0.48 -0.90 -0.07 0.00 -0.75 0.00 0.00 39.64 38.41 1ux2 n ILE 36 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 1ux2 s ASN 37 N -4.99 -0.51 -0.24 4.38 3.84 -0.78 -0.17 114.94 116.46 1ux2 s ASN 37 Ca -0.14 0.54 0.02 0.00 0.21 0.00 0.00 52.86 53.49 1ux2 s ASN 37 Cb 0.04 0.50 0.05 0.00 -0.55 0.00 0.00 41.25 41.28 1ux2 s ASN 37 CO 0.31 -0.54 -0.12 -0.63 -2.79 0.00 0.00 177.10 173.33 1ux2 s ILE 38 N -1.18 2.24 -0.20 -5.21 1.01 -1.26 -0.53 121.20 116.07 1ux2 s ILE 38 Ca -0.11 -1.43 0.06 0.00 0.00 0.00 0.00 60.65 59.17 1ux2 s ILE 38 Cb -0.02 -2.23 -0.21 0.00 0.01 0.00 0.00 42.46 40.01 1ux2 s ILE 38 CO 0.08 0.11 0.03 0.18 0.00 0.00 0.00 174.94 175.33 1ux2 n LEU 39 N 4.50 1.85 -3.67 2.97 4.77 1.00 -4.58 117.00 123.84 1ux2 n LEU 39 Ca -0.16 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.72 1ux2 n LEU 39 Cb 0.44 -0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 1ux2 n LEU 39 CO 0.23 0.75 0.26 -0.70 -1.33 0.00 0.00 177.39 176.59 1ux2 s GLU 40 N -2.52 0.64 -0.00 3.23 2.12 -1.17 -4.99 118.70 115.99 1ux2 s GLU 40 Ca -0.23 0.95 0.02 0.00 0.36 0.00 0.00 54.97 56.07 1ux2 s GLU 40 Cb 0.08 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.66 1ux2 s GLU 40 CO 0.71 -0.12 -0.07 0.08 -0.54 0.00 0.00 175.26 175.33 1ux2 s VAL 41 N 0.96 0.52 -0.23 3.70 1.01 -1.26 -0.56 120.40 124.54 1ux2 s VAL 41 Ca -0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1ux2 s VAL 41 Cb -0.05 -0.44 0.08 0.00 0.00 0.00 0.00 36.38 35.96 1ux2 s VAL 41 CO -0.09 0.14 0.08 0.21 0.00 0.00 0.00 175.10 175.44 1ux2 s ASN 42 N -0.16 3.15 0.50 3.32 3.84 -0.47 -5.01 114.94 120.11 1ux2 s ASN 42 Ca 0.02 -1.03 0.29 0.00 0.21 0.00 0.00 52.86 52.35 1ux2 s ASN 42 Cb -0.03 -0.53 1.02 0.00 -0.55 0.00 0.00 41.25 41.16 1ux2 s ASN 42 CO -0.00 -0.36 1.86 -0.08 -2.79 0.00 0.00 177.10 175.72 1ux2 h GLU 43 N 8.28 0.00 -0.00 0.43 4.81 -1.88 0.51 114.58 126.73 1ux2 h GLU 43 Ca -0.16 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.00 1ux2 h GLU 43 Cb 1.08 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.47 1ux2 h GLU 43 CO 0.37 0.05 -0.28 0.82 -0.73 0.00 0.00 179.01 179.25 1ux2 h ILE 44 N 0.00 1.54 -0.00 2.32 1.08 -1.97 -3.34 117.51 117.14 1ux2 h ILE 44 Ca -0.00 -1.96 0.00 0.00 -0.39 0.00 0.00 64.86 62.51 1ux2 h ILE 44 Cb 0.69 2.76 0.00 0.00 -3.07 0.00 0.00 36.82 37.19 1ux2 h ILE 44 CO 0.01 0.54 -0.42 0.35 -0.69 0.00 0.00 178.15 177.94 1ux2 n THR 45 N -4.48 0.00 -3.57 -0.27 -2.24 -1.19 -4.98 114.28 97.55 1ux2 n THR 45 Ca -0.10 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.42 1ux2 n THR 45 Cb 0.52 0.37 0.05 0.00 -2.10 0.00 0.00 70.33 69.17 1ux2 n THR 45 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ux2 n ASN 46 N -1.10 -2.55 -4.07 3.42 3.02 0.15 -4.94 115.26 109.20 1ux2 n ASN 46 Ca 0.08 -0.78 -0.22 0.00 -0.03 0.00 0.00 54.58 53.64 1ux2 n ASN 46 Cb 0.34 -4.39 -0.15 0.00 -0.61 0.00 0.00 39.78 34.97 1ux2 n ASN 46 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ux2 s GLU 47 N -5.61 1.13 0.08 3.52 2.02 -1.06 -2.13 118.70 116.63 1ux2 s GLU 47 Ca 0.11 -0.43 0.07 0.00 0.02 0.00 0.00 54.97 54.74 1ux2 s GLU 47 Cb -0.03 -1.05 -0.03 0.00 0.10 0.00 0.00 34.13 33.12 1ux2 s GLU 47 CO 0.79 0.22 -0.19 0.14 0.02 0.00 0.00 175.26 176.24 1ux2 s VAL 48 N -0.09 1.52 -0.25 2.63 -7.23 -0.35 -1.36 120.40 115.28 1ux2 s VAL 48 Ca 0.01 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1ux2 s VAL 48 Cb -0.07 -1.38 0.04 0.00 0.56 0.00 0.00 36.38 35.53 1ux2 s VAL 48 CO 0.00 -0.04 -0.09 -0.62 -0.31 0.00 0.00 175.10 174.04 1ux2 s ASP 49 N -1.67 4.25 0.03 4.85 -1.08 0.28 -0.15 116.67 123.18 1ux2 s ASP 49 Ca 0.04 -1.09 0.04 0.00 -0.52 0.00 0.00 52.55 51.02 1ux2 s ASP 49 Cb -0.10 -1.60 -0.02 0.00 -1.46 0.00 0.00 42.92 39.75 1ux2 s ASP 49 CO 0.03 -0.15 -0.12 0.54 0.52 0.00 0.00 175.17 175.99 1ux2 s VAL 50 N 1.22 0.97 -0.20 1.11 0.11 -0.65 -0.00 120.40 122.96 1ux2 s VAL 50 Ca -0.03 -0.87 -0.05 0.00 -2.93 0.00 0.00 61.98 58.10 1ux2 s VAL 50 Cb -0.18 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 33.77 1ux2 s VAL 50 CO -0.06 0.01 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.02 1ux2 s VAL 51 N -0.76 3.83 0.01 2.04 1.01 0.30 -1.50 120.40 125.33 1ux2 s VAL 51 Ca 0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1ux2 s VAL 51 Cb -0.07 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 1ux2 s VAL 51 CO 0.01 0.43 0.05 0.72 0.00 0.00 0.00 175.10 176.31 1ux2 s PHE 52 N 1.07 0.14 -0.09 5.22 -0.12 -0.18 -0.21 117.98 123.81 1ux2 s PHE 52 Ca 0.02 -0.31 -0.27 0.00 -0.05 0.00 0.00 56.93 56.32 1ux2 s PHE 52 Cb -0.14 -0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.11 1ux2 s PHE 52 CO 0.01 -0.22 0.87 -1.58 -0.05 0.00 0.00 175.22 174.25 1ux2 s TRP 53 N -1.34 3.53 -1.09 3.49 0.51 0.42 -0.67 118.94 123.80 1ux2 s TRP 53 Ca -0.15 1.43 -0.08 0.00 -2.12 0.00 0.00 56.10 55.19 1ux2 s TRP 53 Cb -0.08 -3.03 0.27 0.00 -0.81 0.00 0.00 33.47 29.82 1ux2 s TRP 53 CO 0.00 -0.10 1.09 0.94 -0.51 0.00 0.00 176.95 178.37 1ux2 n GLN 54 N 4.52 3.47 -2.09 4.98 7.27 -0.26 -1.53 117.38 133.74 1ux2 n GLN 54 Ca 0.04 -4.47 -0.43 0.00 0.07 0.00 0.00 57.00 52.22 1ux2 n GLN 54 Cb 0.50 -2.53 -0.03 0.00 2.41 0.00 0.00 30.24 30.60 1ux2 n GLN 54 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1ux2 s GLN 55 N -1.40 3.80 -0.10 3.69 0.74 -0.21 -4.07 119.66 122.11 1ux2 s GLN 55 Ca 0.31 1.70 0.01 0.00 0.05 0.00 0.00 55.36 57.43 1ux2 s GLN 55 Cb -0.09 -4.04 0.02 0.00 1.10 0.00 0.00 33.01 30.00 1ux2 s GLN 55 CO -0.08 -1.29 -0.12 0.99 -0.55 0.00 0.00 175.29 174.25 1ux2 s THR 56 N 5.21 1.22 0.09 -0.34 2.01 0.96 -1.25 115.64 123.54 1ux2 s THR 56 Ca 0.72 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 62.32 1ux2 s THR 56 Cb -0.26 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.06 1ux2 s THR 56 CO 0.29 0.39 -0.16 0.42 -0.69 0.00 0.00 174.62 174.87 1ux2 s THR 57 N 1.17 1.35 0.12 -0.82 -4.23 -0.69 0.13 115.64 112.67 1ux2 s THR 57 Ca -0.04 -1.46 -0.26 0.00 -1.18 0.00 0.00 61.69 58.75 1ux2 s THR 57 Cb -0.14 -1.31 0.07 0.00 1.34 0.00 0.00 72.50 72.45 1ux2 s THR 57 CO -0.03 -0.20 0.90 -1.66 -0.54 0.00 0.00 174.62 173.09 1ux2 s TRP 58 N -1.39 -0.22 -0.13 3.99 -2.14 -0.92 -0.76 118.94 117.37 1ux2 s TRP 58 Ca 0.03 -0.05 -0.05 0.00 2.66 0.00 0.00 56.10 58.69 1ux2 s TRP 58 Cb -0.09 0.61 -0.04 0.00 -3.10 0.00 0.00 33.47 30.86 1ux2 s TRP 58 CO 0.03 -0.79 0.04 0.45 -2.66 0.00 0.00 176.95 174.02 1ux2 s SER 59 N -2.81 5.53 -0.34 -2.66 0.15 -1.26 -0.49 113.70 111.81 1ux2 s SER 59 Ca 0.10 0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.89 1ux2 s SER 59 Cb -0.02 -1.77 0.12 0.00 -1.71 0.00 0.00 66.02 62.64 1ux2 s SER 59 CO -0.01 0.29 0.16 -0.62 1.20 0.00 0.00 173.24 174.26 1ux2 s ASP 60 N -0.36 3.62 0.00 5.45 -1.08 0.27 -4.88 116.67 119.69 1ux2 s ASP 60 Ca 0.08 -1.89 0.17 0.00 -0.52 0.00 0.00 52.55 50.39 1ux2 s ASP 60 Cb -0.12 -0.69 0.84 0.00 -1.46 0.00 0.00 42.92 41.48 1ux2 s ASP 60 CO 0.02 -0.37 1.48 0.54 0.52 0.00 0.00 175.17 177.36 1ux2 n ARG 61 N 4.48 0.24 0.04 4.34 1.74 -1.26 -1.79 116.66 124.44 1ux2 n ARG 61 Ca 0.02 0.13 0.11 0.00 -0.77 0.00 0.00 57.85 57.34 1ux2 n ARG 61 Cb 0.39 -1.50 0.46 0.00 -1.02 0.00 0.00 32.46 30.79 1ux2 n ARG 61 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1ux2 n THR 62 N -1.28 0.57 0.60 0.55 -2.24 -1.26 -3.09 114.28 108.11 1ux2 n THR 62 Ca 0.08 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 62.06 1ux2 n THR 62 Cb 0.13 -0.79 0.09 0.00 -2.10 0.00 0.00 70.33 67.67 1ux2 n THR 62 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ux2 n LEU 63 N -1.73 0.64 -4.75 3.22 4.77 -0.74 -4.91 117.00 113.51 1ux2 n LEU 63 Ca 0.05 0.08 -0.37 0.00 -0.03 0.00 0.00 56.01 55.73 1ux2 n LEU 63 Cb 0.28 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1ux2 n LEU 63 CO 0.22 0.01 0.90 0.00 -1.33 0.00 0.00 177.39 177.19 1ux2 s ALA 64 N -3.17 2.68 0.08 -1.18 0.00 -1.18 -4.75 121.76 114.24 1ux2 s ALA 64 Ca 0.05 1.15 -0.01 0.00 0.00 0.00 0.00 51.96 53.15 1ux2 s ALA 64 Cb 0.14 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1ux2 s ALA 64 CO 0.76 -1.23 -0.00 1.67 0.00 0.00 0.00 175.76 176.97 1ux2 s TRP 65 N -1.45 0.63 -0.48 0.00 -2.14 -0.61 -4.98 118.94 109.91 1ux2 s TRP 65 Ca 0.74 -1.12 -0.28 0.00 2.66 0.00 0.00 56.10 58.10 1ux2 s TRP 65 Cb -0.35 -0.42 0.01 0.00 -3.10 0.00 0.00 33.47 29.62 1ux2 s TRP 65 CO 0.39 -0.43 1.44 1.21 -2.66 0.00 0.00 176.95 176.91 1ux2 s ASN 66 N -2.96 6.19 -0.30 -2.66 3.84 -1.26 -4.67 114.94 113.11 1ux2 s ASN 66 Ca 0.13 0.58 0.10 0.00 0.21 0.00 0.00 52.86 53.88 1ux2 s ASN 66 Cb 0.08 -2.54 0.65 0.00 -0.55 0.00 0.00 41.25 38.89 1ux2 s ASN 66 CO -0.06 -1.60 1.68 -1.54 -2.79 0.00 0.00 177.10 172.78 1ux2 n SER 67 N 9.35 4.08 -0.01 -4.21 3.41 -1.26 -4.59 113.62 120.39 1ux2 n SER 67 Ca 0.15 -3.33 0.03 0.00 -0.26 0.00 0.00 58.87 55.46 1ux2 n SER 67 Cb 0.49 -0.69 0.39 0.00 -0.26 0.00 0.00 64.21 64.13 1ux2 n SER 67 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ux2 h SER 68 N 2.00 0.49 -0.14 4.04 4.64 -1.94 -3.07 113.55 119.57 1ux2 h SER 68 Ca 0.24 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.37 1ux2 h SER 68 Cb 2.08 -0.12 -0.25 0.00 -0.31 0.00 0.00 62.40 63.80 1ux2 h SER 68 CO 0.60 0.40 -0.82 1.41 -0.87 0.00 0.00 176.83 177.56 1ux2 n HIS 69 N -4.43 0.47 -4.05 4.77 8.25 -1.26 -5.08 115.22 113.90 1ux2 n HIS 69 Ca 0.03 -1.27 -0.07 0.00 -0.26 0.00 0.00 57.72 56.14 1ux2 n HIS 69 Cb 0.10 -0.22 -0.10 0.00 1.12 0.00 0.00 29.99 30.90 1ux2 n HIS 69 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ux2 s SER 70 N -2.87 0.42 0.41 0.41 0.01 -1.16 0.08 113.70 111.00 1ux2 s SER 70 Ca 0.37 -0.93 -0.25 0.00 1.31 0.00 0.00 55.95 56.45 1ux2 s SER 70 Cb 0.38 0.22 -0.11 0.00 0.21 0.00 0.00 66.02 66.72 1ux2 s SER 70 CO -0.09 -0.62 0.99 -2.65 0.41 0.00 0.00 173.24 171.28 1ux2 n PRO 71 N 0.09 1.33 -0.20 12.44 -0.02 -1.26 -4.76 135.00 142.61 1ux2 n PRO 71 Ca -0.14 0.47 0.09 0.00 -2.02 0.00 0.00 63.50 61.91 1ux2 n PRO 71 Cb 0.61 -2.00 0.20 0.00 -0.02 0.00 0.00 33.50 32.29 1ux2 n PRO 71 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ux2 n ASP 72 N 0.62 3.24 -3.71 2.55 3.85 -1.26 -4.81 116.55 117.04 1ux2 n ASP 72 Ca 0.09 -1.93 -0.14 0.00 -0.71 0.00 0.00 54.79 52.11 1ux2 n ASP 72 Cb 0.38 -0.27 -0.09 0.00 -1.35 0.00 0.00 41.12 39.80 1ux2 n ASP 72 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1ux2 s GLN 73 N -1.18 0.62 0.06 0.11 -0.21 -1.26 -0.15 119.66 117.65 1ux2 s GLN 73 Ca 0.34 0.39 -0.05 0.00 0.02 0.00 0.00 55.36 56.06 1ux2 s GLN 73 Cb 0.19 0.30 -0.02 0.00 1.00 0.00 0.00 33.01 34.48 1ux2 s GLN 73 CO 0.26 -0.12 0.08 0.14 -2.12 0.00 0.00 175.29 173.52 1ux2 s VAL 74 N -0.31 0.16 -0.13 1.09 -7.23 -0.51 -5.00 120.40 108.48 1ux2 s VAL 74 Ca -0.05 -1.35 -0.12 0.00 -1.81 0.00 0.00 61.98 58.65 1ux2 s VAL 74 Cb -0.03 -1.21 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 1ux2 s VAL 74 CO 0.03 -0.74 0.26 -0.44 -0.31 0.00 0.00 175.10 173.90 1ux2 s SER 75 N -2.57 6.47 -0.04 4.85 0.01 -1.26 -0.79 113.70 120.37 1ux2 s SER 75 Ca 0.01 0.55 0.02 0.00 1.31 0.00 0.00 55.95 57.84 1ux2 s SER 75 Cb 0.03 -2.16 0.01 0.00 0.21 0.00 0.00 66.02 64.11 1ux2 s SER 75 CO -0.08 0.21 -0.06 -0.69 0.41 0.00 0.00 173.24 173.03 1ux2 s VAL 76 N -0.12 0.64 0.27 3.43 1.01 0.52 -4.94 120.40 121.21 1ux2 s VAL 76 Ca 0.17 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1ux2 s VAL 76 Cb -0.13 -0.61 -0.12 0.00 0.00 0.00 0.00 36.38 35.51 1ux2 s VAL 76 CO 0.05 0.23 1.50 -2.65 0.00 0.00 0.00 175.10 174.23 1ux2 n PRO 77 N 3.68 2.39 0.33 2.72 -0.02 -1.26 -0.53 135.00 142.32 1ux2 n PRO 77 Ca -0.22 0.85 0.22 0.00 -2.02 0.00 0.00 63.50 62.33 1ux2 n PRO 77 Cb 0.53 -2.57 1.13 0.00 -0.02 0.00 0.00 33.50 32.57 1ux2 n PRO 77 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1ux2 h ILE 78 N 3.18 0.03 0.00 4.25 3.07 -1.62 -0.23 117.51 126.19 1ux2 h ILE 78 Ca -0.46 -0.08 0.00 0.00 1.55 0.00 0.00 64.86 65.87 1ux2 h ILE 78 Cb 1.25 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.88 1ux2 h ILE 78 CO 0.77 0.00 0.00 0.77 -1.05 0.00 0.00 178.15 178.64 1ux2 h SER 79 N 0.00 0.00 -0.15 2.16 4.64 -1.88 -0.90 113.55 117.42 1ux2 h SER 79 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ux2 h SER 79 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1ux2 h SER 79 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1ux2 n SER 80 N -2.78 2.95 -4.28 4.97 7.64 -0.10 -4.89 113.62 117.13 1ux2 n SER 80 Ca -0.01 -1.94 -0.21 0.00 1.01 0.00 0.00 58.87 57.72 1ux2 n SER 80 Cb 0.15 -0.08 -0.11 0.00 -1.01 0.00 0.00 64.21 63.15 1ux2 n SER 80 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ux2 s LEU 81 N -1.82 2.39 0.14 -3.43 1.43 -0.34 -4.65 118.68 112.40 1ux2 s LEU 81 Ca 0.33 -0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 1ux2 s LEU 81 Cb 0.21 -0.73 -0.07 0.00 0.03 0.00 0.00 46.19 45.63 1ux2 s LEU 81 CO 0.31 -0.05 1.16 0.86 0.23 0.00 0.00 176.35 178.85 1ux2 s TRP 82 N -1.84 3.50 0.01 0.29 -0.00 -1.26 -4.63 118.94 115.01 1ux2 s TRP 82 Ca 0.10 1.46 0.07 0.00 -0.00 0.00 0.00 56.10 57.73 1ux2 s TRP 82 Cb -0.07 -3.36 -0.02 0.00 -0.00 0.00 0.00 33.47 30.02 1ux2 s TRP 82 CO 0.05 -0.98 -0.21 0.08 -0.00 0.00 0.00 176.95 175.89 1ux2 s VAL 83 N 0.21 1.66 0.45 5.86 1.01 -1.26 -5.05 120.40 123.28 1ux2 s VAL 83 Ca 0.53 -1.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 1ux2 s VAL 83 Cb -0.30 -1.41 -0.08 0.00 0.00 0.00 0.00 36.38 34.58 1ux2 s VAL 83 CO 0.34 0.35 1.44 -2.16 0.00 0.00 0.00 175.10 175.07 1ux2 s PRO 84 N -0.80 3.71 -1.09 2.72 0.04 -1.26 -4.90 135.00 133.42 1ux2 s PRO 84 Ca 0.08 2.45 -0.06 0.00 0.04 0.00 0.00 61.00 63.51 1ux2 s PRO 84 Cb -0.08 -2.68 0.01 0.00 0.04 0.00 0.00 34.50 31.78 1ux2 s PRO 84 CO 0.00 -0.81 2.76 -0.40 0.04 0.00 0.00 177.00 178.59 1ux2 n ASP 85 N -0.15 7.62 -4.76 6.66 5.75 -1.26 -4.96 116.55 125.44 1ux2 n ASP 85 Ca 0.05 -2.92 -0.39 0.00 -0.01 0.00 0.00 54.79 51.51 1ux2 n ASP 85 Cb 0.41 -1.40 -0.04 0.00 -1.03 0.00 0.00 41.12 39.07 1ux2 n ASP 85 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1ux2 s LEU 86 N -1.28 4.45 -0.03 -2.12 1.43 -1.26 -0.52 118.68 119.35 1ux2 s LEU 86 Ca 0.61 2.24 -0.04 0.00 -1.03 0.00 0.00 54.13 55.91 1ux2 s LEU 86 Cb 0.24 -3.75 0.01 0.00 0.03 0.00 0.00 46.19 42.71 1ux2 s LEU 86 CO -0.10 -0.25 0.10 0.00 0.23 0.00 0.00 176.35 176.34 1ux2 s ALA 87 N -1.27 -0.25 -0.21 4.21 0.00 0.36 -4.85 121.76 119.76 1ux2 s ALA 87 Ca 0.48 0.16 -0.27 0.00 0.00 0.00 0.00 51.96 52.32 1ux2 s ALA 87 Cb -0.30 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 1ux2 s ALA 87 CO 0.39 -0.09 0.95 0.00 0.00 0.00 0.00 175.76 177.01 1ux2 s ALA 88 N -0.32 3.62 0.34 0.00 0.00 -1.26 -1.54 121.76 122.61 1ux2 s ALA 88 Ca -0.04 0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.07 1ux2 s ALA 88 Cb -0.03 -3.42 0.62 0.00 0.00 0.00 0.00 23.12 20.29 1ux2 s ALA 88 CO 0.00 -0.90 1.88 1.88 0.00 0.00 0.00 175.76 178.62 1ux2 h TYR 89 N 7.45 0.53 -0.38 0.00 0.05 -0.03 -2.84 116.97 121.75 1ux2 h TYR 89 Ca -0.23 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.50 1ux2 h TYR 89 Cb 1.09 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.67 1ux2 h TYR 89 CO 0.74 0.52 0.00 0.27 -1.05 0.00 0.00 178.16 178.64 1ux2 n ASN 90 N -4.29 4.57 -4.77 3.88 6.94 -1.26 -4.98 115.26 115.35 1ux2 n ASN 90 Ca 0.01 -2.99 -0.39 0.00 -0.02 0.00 0.00 54.58 51.20 1ux2 n ASN 90 Cb 0.24 -0.60 -0.02 0.00 -2.36 0.00 0.00 39.78 37.04 1ux2 n ASN 90 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ux2 s ALA 91 N -2.80 3.28 -0.06 -2.53 0.00 -1.08 -1.27 121.76 117.30 1ux2 s ALA 91 Ca 0.47 1.04 0.01 0.00 0.00 0.00 0.00 51.96 53.48 1ux2 s ALA 91 Cb 0.37 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 20.10 1ux2 s ALA 91 CO 0.12 -0.52 0.85 0.44 0.00 0.00 0.00 175.76 176.64 1ux2 n ILE 92 N 0.42 0.66 -4.09 0.00 -5.35 0.11 -4.85 119.36 106.26 1ux2 n ILE 92 Ca 0.02 -0.83 -0.10 0.00 -0.27 0.00 0.00 62.75 61.58 1ux2 n ILE 92 Cb 0.45 0.67 -0.10 0.00 -1.74 0.00 0.00 39.64 38.92 1ux2 n ILE 92 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ux2 s SER 93 N -0.68 0.73 0.36 7.28 1.04 -1.23 -4.95 113.70 116.25 1ux2 s SER 93 Ca 0.01 -0.82 -0.28 0.00 0.48 0.00 0.00 55.95 55.34 1ux2 s SER 93 Cb 0.01 0.11 -0.11 0.00 0.10 0.00 0.00 66.02 66.13 1ux2 s SER 93 CO 0.01 -0.42 1.42 -0.54 0.98 0.00 0.00 173.24 174.68 1ux2 s LYS 94 N -2.96 4.19 0.06 4.02 -0.14 -1.26 -4.67 119.74 118.99 1ux2 s LYS 94 Ca 0.01 2.43 -0.30 0.00 -1.36 0.00 0.00 55.97 56.75 1ux2 s LYS 94 Cb 0.00 -3.00 -0.09 0.00 -1.68 0.00 0.00 37.83 33.07 1ux2 s LYS 94 CO -0.05 -0.41 1.75 -1.25 -0.76 0.00 0.00 175.35 174.64 1ux2 s PRO 95 N -1.99 4.17 -0.46 -1.68 0.04 -1.26 -4.86 135.00 128.96 1ux2 s PRO 95 Ca 0.51 2.43 -0.20 0.00 0.04 0.00 0.00 61.00 63.78 1ux2 s PRO 95 Cb -0.44 -3.75 0.03 0.00 0.04 0.00 0.00 34.50 30.38 1ux2 s PRO 95 CO 0.59 -0.81 0.62 -2.00 0.04 0.00 0.00 177.00 175.43 1ux2 s GLU 96 N 3.18 3.21 -0.22 4.56 2.12 -0.61 -4.96 118.70 125.97 1ux2 s GLU 96 Ca 0.78 -0.56 -0.25 0.00 0.36 0.00 0.00 54.97 55.31 1ux2 s GLU 96 Cb -0.41 -3.99 -0.01 0.00 0.26 0.00 0.00 34.13 29.98 1ux2 s GLU 96 CO 0.35 -1.06 0.82 0.08 -0.54 0.00 0.00 175.26 174.91 1ux2 s VAL 97 N 2.71 4.85 -0.50 3.70 1.01 -1.26 -0.54 120.40 130.38 1ux2 s VAL 97 Ca 0.19 1.57 0.23 0.00 0.00 0.00 0.00 61.98 63.98 1ux2 s VAL 97 Cb -0.16 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1ux2 s VAL 97 CO 0.16 -0.04 1.17 -0.07 0.00 0.00 0.00 175.10 176.32 1ux2 h LEU 98 N 8.94 0.00 -9.46 3.92 3.38 -0.14 -3.49 115.31 118.46 1ux2 h LEU 98 Ca -0.25 -0.17 -0.58 0.00 0.09 0.00 0.00 57.88 56.97 1ux2 h LEU 98 Cb 1.10 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.74 1ux2 h LEU 98 CO 0.86 0.09 -0.67 0.42 0.09 0.00 0.00 178.44 179.23 1ux2 s THR 99 N -3.24 2.93 0.31 0.22 -4.23 -1.25 -4.98 115.64 105.41 1ux2 s THR 99 Ca 0.03 -2.08 -0.28 0.00 -1.18 0.00 0.00 61.69 58.19 1ux2 s THR 99 Cb 0.12 -2.67 -0.13 0.00 1.34 0.00 0.00 72.50 71.16 1ux2 s THR 99 CO 0.76 -0.33 1.12 -2.65 -0.54 0.00 0.00 174.62 172.97 1ux2 n PRO 100 N -0.83 1.65 -1.99 3.99 -0.02 -1.26 -4.86 135.00 131.68 1ux2 n PRO 100 Ca -0.05 0.58 -0.40 0.00 -2.02 0.00 0.00 63.50 61.60 1ux2 n PRO 100 Cb 0.60 -2.03 -0.01 0.00 -0.02 0.00 0.00 33.50 32.05 1ux2 n PRO 100 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ux2 n GLN 101 N 0.65 4.32 -4.66 -0.52 6.02 -1.26 -4.90 117.38 117.04 1ux2 n GLN 101 Ca 0.08 -3.35 -0.29 0.00 -0.01 0.00 0.00 57.00 53.43 1ux2 n GLN 101 Cb 0.34 -2.71 -0.14 0.00 1.02 0.00 0.00 30.24 28.75 1ux2 n GLN 101 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ux2 s LEU 102 N -1.52 2.23 0.28 1.08 1.43 -1.26 -1.58 118.68 119.34 1ux2 s LEU 102 Ca 0.53 -0.64 0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1ux2 s LEU 102 Cb 0.17 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 45.15 1ux2 s LEU 102 CO -0.07 0.20 -0.09 0.00 0.23 0.00 0.00 176.35 176.62 1ux2 s ALA 103 N -0.91 2.97 -0.23 4.21 0.00 0.31 -4.68 121.76 123.43 1ux2 s ALA 103 Ca 0.11 -1.78 -0.08 0.00 0.00 0.00 0.00 51.96 50.22 1ux2 s ALA 103 Cb -0.10 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1ux2 s ALA 103 CO 0.03 0.26 0.09 0.50 0.00 0.00 0.00 175.76 176.64 1ux2 s ARG 104 N -3.60 3.85 -0.12 0.00 6.06 -0.41 -0.35 118.95 124.37 1ux2 s ARG 104 Ca 0.31 -0.39 0.01 0.00 -2.50 0.00 0.00 55.73 53.16 1ux2 s ARG 104 Cb -0.05 -3.34 -0.01 0.00 0.06 0.00 0.00 34.95 31.61 1ux2 s ARG 104 CO 0.18 0.01 -0.16 0.08 -2.50 0.00 0.00 175.30 172.91 1ux2 s VAL 105 N 1.11 2.78 0.06 7.11 1.01 0.03 -0.89 120.40 131.61 1ux2 s VAL 105 Ca 0.05 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 1ux2 s VAL 105 Cb -0.14 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1ux2 s VAL 105 CO 0.04 0.53 0.24 -0.69 0.00 0.00 0.00 175.10 175.22 1ux2 s VAL 106 N 0.37 5.35 -0.23 2.92 1.01 0.58 -1.43 120.40 128.98 1ux2 s VAL 106 Ca -0.13 -0.23 0.15 0.00 0.00 0.00 0.00 61.98 61.78 1ux2 s VAL 106 Cb -0.16 -3.61 0.15 0.00 0.00 0.00 0.00 36.38 32.76 1ux2 s VAL 106 CO 0.06 0.17 1.42 -1.54 0.00 0.00 0.00 175.10 175.21 1ux2 n SER 107 N 0.41 0.40 -0.56 3.32 3.41 0.78 -0.56 113.62 120.81 1ux2 n SER 107 Ca -0.06 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 1ux2 n SER 107 Cb 0.52 -0.66 0.43 0.00 -0.26 0.00 0.00 64.21 64.24 1ux2 n SER 107 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ux2 n ASP 108 N -2.05 1.73 0.00 4.04 5.75 -1.26 -1.57 116.55 123.19 1ux2 n ASP 108 Ca -0.01 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1ux2 n ASP 108 Cb 0.14 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1ux2 n ASP 108 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ux2 n GLY 109 N 1.18 0.11 3.74 6.12 0.00 0.27 -4.67 105.19 111.95 1ux2 n GLY 109 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1ux2 n GLY 109 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ux2 n GLU 110 N -2.00 2.74 -5.14 1.61 4.07 -1.24 -0.56 120.64 120.11 1ux2 n GLU 110 Ca 0.00 0.98 -0.29 0.00 -0.06 0.00 0.00 57.16 57.79 1ux2 n GLU 110 Cb 0.00 -2.78 -0.16 0.00 -0.06 0.00 0.00 31.44 28.44 1ux2 n GLU 110 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1ux2 s VAL 111 N 0.24 1.82 -0.09 6.31 1.01 0.35 -0.30 120.40 129.74 1ux2 s VAL 111 Ca 0.66 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1ux2 s VAL 111 Cb -0.49 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.40 1ux2 s VAL 111 CO 0.45 0.51 -0.09 -0.22 0.00 0.00 0.00 175.10 175.76 1ux2 s LEU 112 N -0.54 1.32 -0.12 3.92 2.96 -0.07 -2.16 118.68 124.00 1ux2 s LEU 112 Ca 0.09 -0.28 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1ux2 s LEU 112 Cb -0.09 -0.79 0.02 0.00 0.50 0.00 0.00 46.19 45.82 1ux2 s LEU 112 CO -0.01 -0.07 -0.14 -0.47 -1.32 0.00 0.00 176.35 174.34 1ux2 s TYR 113 N 1.34 1.98 -0.47 5.38 5.04 0.12 -1.29 117.35 129.45 1ux2 s TYR 113 Ca -0.02 -0.99 0.07 0.00 -2.44 0.00 0.00 57.07 53.69 1ux2 s TYR 113 Cb -0.14 -1.45 0.24 0.00 0.35 0.00 0.00 41.96 40.96 1ux2 s TYR 113 CO -0.04 -0.53 0.56 -0.12 -1.34 0.00 0.00 175.55 174.08 1ux2 n MET 114 N 4.42 1.17 -2.23 4.97 0.00 -1.26 -0.03 117.12 124.15 1ux2 n MET 114 Ca -0.18 -3.63 -0.36 0.00 -0.00 0.00 0.00 57.70 53.53 1ux2 n MET 114 Cb 0.51 -1.55 -0.00 0.00 0.00 0.00 0.00 33.22 32.17 1ux2 n MET 114 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1ux2 s PRO 115 N -1.41 3.51 -0.22 2.12 0.04 -1.26 -4.70 135.00 133.08 1ux2 s PRO 115 Ca 0.36 1.72 -0.16 0.00 0.04 0.00 0.00 61.00 62.97 1ux2 s PRO 115 Cb 0.15 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1ux2 s PRO 115 CO -0.09 -0.74 0.39 0.45 0.04 0.00 0.00 177.00 177.04 1ux2 s SER 116 N -1.54 6.38 -0.09 6.66 0.15 -1.26 -1.10 113.70 122.91 1ux2 s SER 116 Ca 0.69 0.45 0.04 0.00 0.70 0.00 0.00 55.95 57.83 1ux2 s SER 116 Cb -0.27 -2.22 -0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1ux2 s SER 116 CO 0.32 -0.11 -0.24 -0.63 1.20 0.00 0.00 173.24 173.78 1ux2 s ILE 117 N 1.52 2.01 -0.21 6.45 1.01 0.16 0.67 121.20 132.82 1ux2 s ILE 117 Ca 0.18 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 1ux2 s ILE 117 Cb -0.15 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1ux2 s ILE 117 CO 0.08 0.55 0.10 -0.60 0.00 0.00 0.00 174.94 175.08 1ux2 s ARG 118 N 0.24 4.03 -0.04 2.79 3.52 0.30 -1.01 118.95 128.78 1ux2 s ARG 118 Ca -0.15 -0.30 -0.19 0.00 -0.13 0.00 0.00 55.73 54.95 1ux2 s ARG 118 Cb -0.17 -3.36 0.04 0.00 -1.56 0.00 0.00 34.95 29.90 1ux2 s ARG 118 CO 0.08 0.19 0.42 -1.14 -0.81 0.00 0.00 175.30 174.03 1ux2 s GLN 119 N 0.64 0.75 -0.08 5.12 0.74 -0.56 -1.58 119.66 124.69 1ux2 s GLN 119 Ca 0.06 0.01 -0.05 0.00 0.05 0.00 0.00 55.36 55.43 1ux2 s GLN 119 Cb -0.13 0.34 -0.04 0.00 1.10 0.00 0.00 33.01 34.29 1ux2 s GLN 119 CO 0.01 -0.21 0.14 1.03 -0.55 0.00 0.00 175.29 175.72 1ux2 s ARG 120 N -1.12 3.40 0.04 1.67 0.52 -1.26 -1.64 118.95 120.57 1ux2 s ARG 120 Ca -0.11 -0.22 0.05 0.00 -0.52 0.00 0.00 55.73 54.93 1ux2 s ARG 120 Cb -0.04 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.29 1ux2 s ARG 120 CO 0.05 0.74 -0.15 -0.06 0.02 0.00 0.00 175.30 175.90 1ux2 s PHE 121 N -1.12 1.28 -0.33 -0.53 0.08 0.79 -0.71 117.98 117.45 1ux2 s PHE 121 Ca 0.19 -0.36 -0.17 0.00 0.12 0.00 0.00 56.93 56.71 1ux2 s PHE 121 Cb -0.12 -0.76 -0.01 0.00 -0.57 0.00 0.00 43.02 41.56 1ux2 s PHE 121 CO 0.09 0.04 0.45 0.45 -0.10 0.00 0.00 175.22 176.15 1ux2 s SER 122 N -1.19 6.28 0.26 1.36 0.15 -0.40 -1.21 113.70 118.95 1ux2 s SER 122 Ca 0.02 0.01 -0.21 0.00 0.70 0.00 0.00 55.95 56.47 1ux2 s SER 122 Cb -0.08 -2.24 0.05 0.00 -1.71 0.00 0.00 66.02 62.04 1ux2 s SER 122 CO 0.01 -0.38 0.87 0.00 1.20 0.00 0.00 173.24 174.94 1ux2 s ASP 124 N -3.07 6.17 0.00 0.00 -1.08 -1.26 -4.36 116.67 113.06 1ux2 s ASP 124 Ca 0.15 1.32 0.17 0.00 -0.52 0.00 0.00 52.55 53.67 1ux2 s ASP 124 Cb -0.04 -2.53 -0.07 0.00 -1.46 0.00 0.00 42.92 38.82 1ux2 s ASP 124 CO 0.07 -1.48 0.83 0.52 0.52 0.00 0.00 175.17 175.63 1ux2 n VAL 125 N 6.98 0.00 -1.72 1.11 0.31 -1.26 -3.81 118.33 119.95 1ux2 n VAL 125 Ca 0.20 -0.24 -0.43 0.00 -0.01 0.00 0.00 64.34 63.86 1ux2 n VAL 125 Cb 0.46 1.13 -0.01 0.00 -0.91 0.00 0.00 33.84 34.51 1ux2 n VAL 125 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1ux2 n SER 126 N -0.57 3.26 0.00 4.52 3.41 -1.26 -2.28 113.62 120.70 1ux2 n SER 126 Ca 0.06 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.84 1ux2 n SER 126 Cb 0.33 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.75 1ux2 n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ux2 n GLY 127 N 1.49 0.78 0.37 5.00 0.00 -1.26 -4.14 105.19 107.42 1ux2 n GLY 127 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1ux2 n GLY 127 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ux2 h VAL 128 N 0.00 0.85 -0.84 1.61 3.04 -1.67 -1.01 116.25 118.23 1ux2 h VAL 128 Ca 0.00 -0.15 -0.32 0.00 -1.01 0.00 0.00 66.70 65.21 1ux2 h VAL 128 Cb 0.00 0.36 -0.19 0.00 -2.01 0.00 0.00 31.29 29.45 1ux2 h VAL 128 CO 0.00 0.08 0.41 -0.67 -1.01 0.00 0.00 177.57 176.38 1ux2 n ASP 129 N -4.48 4.49 -4.70 3.17 2.03 -1.26 -1.10 116.55 114.70 1ux2 n ASP 129 Ca 0.12 -3.35 -0.26 0.00 0.52 0.00 0.00 54.79 51.83 1ux2 n ASP 129 Cb 0.44 -0.78 -0.08 0.00 -0.72 0.00 0.00 41.12 39.98 1ux2 n ASP 129 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1ux2 s THR 130 N -3.08 2.24 0.28 5.18 -4.23 -0.39 -4.97 115.64 110.66 1ux2 s THR 130 Ca 0.56 -1.79 -0.00 0.00 -1.18 0.00 0.00 61.69 59.28 1ux2 s THR 130 Cb 0.45 -2.99 0.12 0.00 1.34 0.00 0.00 72.50 71.42 1ux2 s THR 130 CO 0.13 -0.01 1.78 -0.33 -0.54 0.00 0.00 174.62 175.65 1ux2 h GLU 131 N 1.53 0.71 -0.05 3.99 5.08 -1.91 -2.58 114.58 121.35 1ux2 h GLU 131 Ca -0.43 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 57.65 1ux2 h GLU 131 Cb 1.25 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1ux2 h GLU 131 CO 0.73 0.74 -0.38 0.77 -1.00 0.00 0.00 179.01 179.87 1ux2 h SER 132 N 0.66 0.12 -3.88 1.42 0.02 -1.97 -3.49 113.55 106.43 1ux2 h SER 132 Ca 0.13 -0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1ux2 h SER 132 Cb 0.45 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1ux2 h SER 132 CO 0.02 0.49 -0.09 0.61 -1.14 0.00 0.00 176.83 176.72 1ux2 n GLY 133 N -0.34 -1.42 3.92 -3.77 0.00 -0.97 -4.82 105.19 97.79 1ux2 n GLY 133 Ca -0.02 -1.47 -0.27 0.00 0.00 0.00 0.00 46.02 44.26 1ux2 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ux2 s ALA 134 N -1.27 3.72 -0.30 4.61 0.00 0.82 -4.46 121.76 124.88 1ux2 s ALA 134 Ca 0.00 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1ux2 s ALA 134 Cb 0.00 -2.14 0.09 0.00 0.00 0.00 0.00 23.12 21.07 1ux2 s ALA 134 CO 0.00 0.30 0.02 0.99 0.00 0.00 0.00 175.76 177.06 1ux2 s THR 135 N -2.02 1.86 -0.26 0.00 2.01 -1.25 -1.12 115.64 114.86 1ux2 s THR 135 Ca 0.41 -1.86 -0.13 0.00 0.31 0.00 0.00 61.69 60.41 1ux2 s THR 135 Cb -0.11 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 1ux2 s THR 135 CO 0.30 -0.44 0.29 0.00 -0.69 0.00 0.00 174.62 174.08 1ux2 s ARG 137 N 1.75 3.99 -0.18 0.00 0.52 -1.26 0.26 118.95 124.04 1ux2 s ARG 137 Ca 0.12 -0.32 -0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1ux2 s ARG 137 Cb -0.15 -3.37 0.01 0.00 0.52 0.00 0.00 34.95 31.95 1ux2 s ARG 137 CO 0.09 0.14 -0.15 0.42 0.02 0.00 0.00 175.30 175.82 1ux2 s ILE 138 N 0.78 2.52 -0.26 1.52 1.01 0.51 -4.85 121.20 122.44 1ux2 s ILE 138 Ca 0.06 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 1ux2 s ILE 138 Cb -0.13 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 1ux2 s ILE 138 CO 0.02 0.51 0.16 -0.54 0.00 0.00 0.00 174.94 175.09 1ux2 s LYS 139 N 1.17 3.97 -0.15 2.79 1.02 -1.26 -0.17 119.74 127.11 1ux2 s LYS 139 Ca 0.01 -0.32 0.01 0.00 0.02 0.00 0.00 55.97 55.70 1ux2 s LYS 139 Cb -0.14 -3.56 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 1ux2 s LYS 139 CO -0.06 -0.06 -0.18 0.42 -0.92 0.00 0.00 175.35 174.54 1ux2 s ILE 140 N 1.39 2.40 0.22 2.17 1.01 -0.22 0.76 121.20 128.93 1ux2 s ILE 140 Ca 0.07 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 1ux2 s ILE 140 Cb -0.15 -1.99 -0.00 0.00 0.01 0.00 0.00 42.46 40.33 1ux2 s ILE 140 CO 0.07 0.53 0.43 -0.83 0.00 0.00 0.00 174.94 175.14 1ux2 s GLY 141 N 0.83 0.49 0.23 6.18 0.00 -0.59 -1.03 107.32 113.44 1ux2 s GLY 141 Ca -0.06 -0.84 -0.31 0.00 0.00 0.00 0.00 44.72 43.51 1ux2 s GLY 141 CO -0.01 -0.66 1.67 -0.45 0.00 0.00 0.00 173.10 173.65 1ux2 s SER 142 N -3.00 6.40 0.15 1.64 0.15 -1.26 -0.49 113.70 117.29 1ux2 s SER 142 Ca 0.21 2.87 -0.10 0.00 0.70 0.00 0.00 55.95 59.63 1ux2 s SER 142 Cb 0.00 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1ux2 s SER 142 CO 0.06 -0.94 1.47 -0.25 1.20 0.00 0.00 173.24 174.78 1ux2 h TRP 143 N 6.20 1.06 0.00 3.44 2.91 -1.14 -3.39 115.95 125.04 1ux2 h TRP 143 Ca -0.44 -0.33 0.00 0.00 1.13 0.00 0.00 58.89 59.24 1ux2 h TRP 143 Cb 1.21 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 29.64 1ux2 h TRP 143 CO 0.62 1.15 0.00 0.25 -1.03 0.00 0.00 178.44 179.43 1ux2 n THR 144 N -4.04 0.00 -3.92 2.65 -2.24 -1.26 -5.00 114.28 100.47 1ux2 n THR 144 Ca -0.03 -0.37 -0.35 0.00 -2.27 0.00 0.00 64.05 61.04 1ux2 n THR 144 Cb 0.57 1.23 -0.14 0.00 -2.10 0.00 0.00 70.33 69.89 1ux2 n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1ux2 s HIS 145 N -0.11 2.98 0.76 4.78 3.76 -1.26 -5.11 115.29 121.09 1ux2 s HIS 145 Ca 0.00 -0.80 -0.13 0.00 -0.15 0.00 0.00 55.06 53.98 1ux2 s HIS 145 Cb 0.00 -2.12 0.18 0.00 1.11 0.00 0.00 32.58 31.75 1ux2 s HIS 145 CO 0.00 -0.48 0.96 -2.39 -0.85 0.00 0.00 174.74 171.98 1ux2 n HIS 146 N 4.74 -3.94 0.29 1.40 1.44 -1.26 -4.52 115.22 113.36 1ux2 n HIS 146 Ca -0.18 -0.85 0.17 0.00 -2.01 0.00 0.00 57.72 54.85 1ux2 n HIS 146 Cb 0.51 -0.78 0.81 0.00 0.12 0.00 0.00 29.99 30.65 1ux2 n HIS 146 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1ux2 h SER 147 N -1.48 0.00 1.18 4.39 4.64 -0.79 -0.36 113.55 121.13 1ux2 h SER 147 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1ux2 h SER 147 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1ux2 h SER 147 CO 0.22 0.05 0.00 0.54 -0.87 0.00 0.00 176.83 176.77 1ux2 n ARG 148 N -3.24 0.14 -0.05 4.77 1.74 -1.26 -4.19 116.66 114.57 1ux2 n ARG 148 Ca -0.01 0.14 -0.08 0.00 -0.77 0.00 0.00 57.85 57.13 1ux2 n ARG 148 Cb 0.24 -1.67 -0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1ux2 n ARG 148 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ux2 n GLU 149 N -1.90 0.26 -4.08 5.56 1.02 -0.36 -3.02 120.64 118.10 1ux2 n GLU 149 Ca 0.06 0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 57.01 1ux2 n GLU 149 Cb 0.37 -1.17 -0.17 0.00 -0.02 0.00 0.00 31.44 30.45 1ux2 n GLU 149 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ux2 s ILE 150 N -2.21 0.93 -0.03 -3.67 1.01 -0.29 -0.53 121.20 116.42 1ux2 s ILE 150 Ca -0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 1ux2 s ILE 150 Cb 0.04 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 1ux2 s ILE 150 CO 0.23 0.34 0.13 -0.94 0.00 0.00 0.00 174.94 174.71 1ux2 s SER 151 N 1.40 6.10 -0.14 3.58 1.04 -0.62 -4.03 113.70 121.03 1ux2 s SER 151 Ca -0.01 0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.73 1ux2 s SER 151 Cb -0.13 -1.87 0.02 0.00 0.10 0.00 0.00 66.02 64.13 1ux2 s SER 151 CO -0.04 0.30 -0.18 -0.69 0.98 0.00 0.00 173.24 173.60 1ux2 s VAL 152 N -1.21 1.82 0.01 5.02 1.01 -1.26 -0.69 120.40 125.09 1ux2 s VAL 152 Ca 0.23 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1ux2 s VAL 152 Cb -0.12 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1ux2 s VAL 152 CO 0.14 0.50 -0.12 -1.81 0.00 0.00 0.00 175.10 173.81 1ux2 s ASP 153 N 1.13 1.38 0.43 3.32 1.01 -0.33 -4.73 116.67 118.88 1ux2 s ASP 153 Ca -0.01 -0.28 -0.23 0.00 0.71 0.00 0.00 52.55 52.74 1ux2 s ASP 153 Cb -0.14 -0.13 -0.08 0.00 1.01 0.00 0.00 42.92 43.58 1ux2 s ASP 153 CO -0.07 0.10 1.10 -2.16 0.21 0.00 0.00 175.17 174.35 1ux2 s PRO 154 N -0.53 3.97 0.68 8.23 0.04 -1.26 -1.44 135.00 144.69 1ux2 s PRO 154 Ca 0.03 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 62.66 1ux2 s PRO 154 Cb -0.05 -2.46 0.14 0.00 0.04 0.00 0.00 34.50 32.17 1ux2 s PRO 154 CO 0.00 -0.33 0.93 2.41 0.04 0.00 0.00 177.00 180.05 1ux2 n THR 155 N -0.30 0.00 -0.19 1.26 -1.04 -1.24 -4.87 114.28 107.90 1ux2 n THR 155 Ca 0.06 -1.34 0.12 0.00 -2.04 0.00 0.00 64.05 60.85 1ux2 n THR 155 Cb 0.49 -1.02 0.23 0.00 -1.82 0.00 0.00 70.33 68.21 1ux2 n THR 155 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1ux2 n THR 156 N -2.82 -0.24 -3.63 12.58 -1.04 -1.26 -4.82 114.28 113.06 1ux2 n THR 156 Ca 0.15 1.20 -0.22 0.00 -2.04 0.00 0.00 64.05 63.14 1ux2 n THR 156 Cb 0.53 -1.82 0.06 0.00 -1.82 0.00 0.00 70.33 67.27 1ux2 n THR 156 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1ux2 n GLU 157 N -4.53 -5.97 0.04 -2.82 1.02 -1.26 -4.93 120.64 102.18 1ux2 n GLU 157 Ca 0.16 0.72 -0.18 0.00 -0.02 0.00 0.00 57.16 57.84 1ux2 n GLU 157 Cb 0.54 -5.54 -0.14 0.00 -0.02 0.00 0.00 31.44 26.28 1ux2 n GLU 157 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1ux2 h ASN 158 N -2.03 0.38 -4.26 1.62 -1.07 -2.05 -3.47 115.58 104.70 1ux2 h ASN 158 Ca -0.59 -0.63 -0.52 0.00 0.07 0.00 0.00 56.30 54.63 1ux2 h ASN 158 Cb 1.36 -0.12 0.13 0.00 -2.07 0.00 0.00 38.32 37.62 1ux2 h ASN 158 CO 0.56 1.54 0.33 -0.94 0.07 0.00 0.00 177.43 178.99 1ux2 s SER 159 N -6.92 4.42 0.53 6.14 1.04 -1.26 -5.02 113.70 112.62 1ux2 s SER 159 Ca -0.13 1.97 -0.19 0.00 0.48 0.00 0.00 55.95 58.08 1ux2 s SER 159 Cb 0.07 -2.54 -0.06 0.00 0.10 0.00 0.00 66.02 63.58 1ux2 s SER 159 CO 0.83 -2.10 1.10 -0.62 0.98 0.00 0.00 173.24 173.43 1ux2 s ASP 160 N -2.94 5.91 0.50 7.02 -1.08 -1.26 -4.96 116.67 119.86 1ux2 s ASP 160 Ca 0.65 2.07 0.18 0.00 -0.52 0.00 0.00 52.55 54.93 1ux2 s ASP 160 Cb -0.20 -2.57 1.23 0.00 -1.46 0.00 0.00 42.92 39.92 1ux2 s ASP 160 CO 0.51 -1.08 2.06 0.44 0.52 0.00 0.00 175.17 177.62 1ux2 h ASP 161 N 1.25 0.10 -0.61 -0.34 3.32 -1.95 -2.39 116.42 115.80 1ux2 h ASP 161 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1ux2 h ASP 161 Cb 1.25 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1ux2 h ASP 161 CO 0.58 0.07 0.00 -1.20 -1.72 0.00 0.00 179.24 176.96 1ux2 n SER 162 N -4.47 5.21 -0.15 6.45 7.64 -1.26 -4.67 113.62 122.38 1ux2 n SER 162 Ca 0.04 -2.68 -0.03 0.00 1.01 0.00 0.00 58.87 57.21 1ux2 n SER 162 Cb 0.30 -0.63 0.05 0.00 -1.01 0.00 0.00 64.21 62.92 1ux2 n SER 162 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1ux2 h GLU 163 N 4.02 0.16 -0.12 1.43 4.57 -1.77 -2.99 114.58 119.87 1ux2 h GLU 163 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1ux2 h GLU 163 Cb 1.71 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.26 1ux2 h GLU 163 CO 0.36 0.11 0.00 0.66 -1.18 0.00 0.00 179.01 178.96 1ux2 n TYR 164 N -5.17 0.16 -2.34 0.92 4.01 -1.26 -5.01 117.16 108.46 1ux2 n TYR 164 Ca 0.05 -0.27 -0.41 0.00 -0.16 0.00 0.00 57.90 57.11 1ux2 n TYR 164 Cb 0.24 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.22 1ux2 n TYR 164 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1ux2 s PHE 165 N -0.81 3.39 0.11 -0.72 5.36 -1.13 -4.53 117.98 119.65 1ux2 s PHE 165 Ca 0.12 1.44 -0.31 0.00 -0.96 0.00 0.00 56.93 57.22 1ux2 s PHE 165 Cb 0.07 -3.46 -0.10 0.00 -0.34 0.00 0.00 43.02 39.19 1ux2 s PHE 165 CO 0.09 -1.27 1.81 0.45 -1.46 0.00 0.00 175.22 174.85 1ux2 s SER 166 N -0.08 6.44 0.10 6.13 0.15 0.76 -4.87 113.70 122.33 1ux2 s SER 166 Ca 0.52 2.72 0.17 0.00 0.70 0.00 0.00 55.95 60.06 1ux2 s SER 166 Cb -0.34 -2.56 0.72 0.00 -1.71 0.00 0.00 66.02 62.12 1ux2 s SER 166 CO 0.39 -0.99 1.52 0.00 1.20 0.00 0.00 173.24 175.36 1ux2 n GLN 167 N 5.73 0.07 0.00 5.44 10.64 -1.26 -3.03 117.38 134.96 1ux2 n GLN 167 Ca 0.18 0.34 0.11 0.00 -1.83 0.00 0.00 57.00 55.80 1ux2 n GLN 167 Cb 0.38 -1.64 0.03 0.00 -0.86 0.00 0.00 30.24 28.16 1ux2 n GLN 167 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1ux2 n TYR 168 N -1.77 0.00 -1.83 2.61 4.01 -1.26 -4.94 117.16 113.98 1ux2 n TYR 168 Ca 0.03 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.39 1ux2 n TYR 168 Cb 0.17 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.25 1ux2 n TYR 168 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ux2 s SER 169 N -2.28 4.97 0.41 7.72 0.15 -1.17 -4.89 113.70 118.61 1ux2 s SER 169 Ca 0.22 2.60 0.29 0.00 0.70 0.00 0.00 55.95 59.76 1ux2 s SER 169 Cb 0.19 -2.62 1.31 0.00 -1.71 0.00 0.00 66.02 63.19 1ux2 s SER 169 CO 0.47 -1.76 1.87 0.03 1.20 0.00 0.00 173.24 175.05 1ux2 h ARG 170 N 0.93 0.00 -6.16 5.44 3.08 -1.92 -3.45 114.38 112.30 1ux2 h ARG 170 Ca -0.51 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 58.99 1ux2 h ARG 170 Cb 1.32 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.28 1ux2 h ARG 170 CO 0.55 0.00 -0.59 -0.06 -1.07 0.00 0.00 179.97 178.80 1ux2 s PHE 171 N -3.56 2.74 0.06 3.04 0.08 -1.26 -1.34 117.98 117.74 1ux2 s PHE 171 Ca 0.01 -0.27 0.05 0.00 0.12 0.00 0.00 56.93 56.84 1ux2 s PHE 171 Cb 0.09 -1.38 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 1ux2 s PHE 171 CO 0.42 0.51 -0.15 -1.83 -0.10 0.00 0.00 175.22 174.07 1ux2 s GLU 172 N -3.75 0.88 -0.10 0.44 -1.05 0.03 -4.82 118.70 110.32 1ux2 s GLU 172 Ca 0.34 -0.92 -0.21 0.00 -0.15 0.00 0.00 54.97 54.03 1ux2 s GLU 172 Cb -0.05 -0.91 -0.04 0.00 -0.44 0.00 0.00 34.13 32.69 1ux2 s GLU 172 CO 0.21 0.21 0.62 0.42 0.95 0.00 0.00 175.26 177.67 1ux2 s ILE 173 N -1.14 5.09 -0.23 1.83 1.01 -1.26 -1.69 121.20 124.81 1ux2 s ILE 173 Ca -0.00 1.25 -0.07 0.00 0.00 0.00 0.00 60.65 61.83 1ux2 s ILE 173 Cb -0.09 -3.95 -0.18 0.00 0.01 0.00 0.00 42.46 38.24 1ux2 s ILE 173 CO 0.02 0.26 -0.07 0.18 0.00 0.00 0.00 174.94 175.32 1ux2 n LEU 174 N 3.92 2.53 -3.63 2.97 4.77 0.56 -4.92 117.00 123.19 1ux2 n LEU 174 Ca -0.03 0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 1ux2 n LEU 174 Cb 0.51 -0.94 -0.06 0.00 -2.33 0.00 0.00 43.42 40.59 1ux2 n LEU 174 CO 0.45 0.76 0.22 -0.62 -1.33 0.00 0.00 177.39 176.87 1ux2 s ASP 175 N -6.91 -0.38 -0.04 -1.43 -1.08 -0.99 -5.02 116.67 100.82 1ux2 s ASP 175 Ca -0.32 0.19 -0.02 0.00 -0.52 0.00 0.00 52.55 51.88 1ux2 s ASP 175 Cb 0.10 0.44 0.03 0.00 -1.46 0.00 0.00 42.92 42.03 1ux2 s ASP 175 CO 0.61 -0.63 0.06 -0.69 0.52 0.00 0.00 175.17 175.04 1ux2 s VAL 176 N -2.05 -0.10 0.10 1.11 1.01 -1.26 -1.01 120.40 118.19 1ux2 s VAL 176 Ca -0.08 0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.34 1ux2 s VAL 176 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 1ux2 s VAL 176 CO 0.01 0.15 -0.20 0.42 0.00 0.00 0.00 175.10 175.48 1ux2 s THR 177 N 1.85 1.66 -0.12 3.92 -4.23 -0.86 -4.98 115.64 112.87 1ux2 s THR 177 Ca 0.01 -1.54 -0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1ux2 s THR 177 Cb -0.12 -1.52 0.04 0.00 1.34 0.00 0.00 72.50 72.24 1ux2 s THR 177 CO -0.03 -0.09 0.03 -1.10 -0.54 0.00 0.00 174.62 172.89 1ux2 s GLN 178 N -1.94 0.52 0.16 3.99 -0.21 -1.26 -0.58 119.66 120.34 1ux2 s GLN 178 Ca 0.06 -0.09 0.09 0.00 0.02 0.00 0.00 55.36 55.44 1ux2 s GLN 178 Cb -0.10 -1.45 -0.04 0.00 1.00 0.00 0.00 33.01 32.42 1ux2 s GLN 178 CO 0.04 -0.47 -0.12 -1.59 -2.12 0.00 0.00 175.29 171.03 1ux2 s LYS 179 N 1.96 1.99 0.10 2.91 -2.85 -0.41 -4.85 119.74 118.59 1ux2 s LYS 179 Ca 0.03 -1.23 -0.16 0.00 -1.00 0.00 0.00 55.97 53.60 1ux2 s LYS 179 Cb -0.14 -2.16 -0.07 0.00 -2.06 0.00 0.00 37.83 33.40 1ux2 s LYS 179 CO -0.07 0.45 0.54 0.21 0.10 0.00 0.00 175.35 176.59 1ux2 s LYS 180 N -2.60 4.07 0.10 1.78 2.20 -1.26 0.32 119.74 124.35 1ux2 s LYS 180 Ca 0.23 0.59 0.05 0.00 -0.36 0.00 0.00 55.97 56.47 1ux2 s LYS 180 Cb -0.09 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.10 1ux2 s LYS 180 CO 0.14 0.57 -0.13 -0.80 -0.36 0.00 0.00 175.35 174.77 1ux2 s ASN 181 N -1.39 1.72 -0.07 1.43 0.01 0.11 -4.91 114.94 111.83 1ux2 s ASN 181 Ca 0.32 -0.75 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 1ux2 s ASN 181 Cb -0.17 -0.04 0.02 0.00 0.41 0.00 0.00 41.25 41.47 1ux2 s ASN 181 CO 0.18 -0.16 -0.05 -0.55 -1.51 0.00 0.00 177.10 175.02 1ux2 s SER 182 N -2.21 1.60 -0.07 -1.22 0.15 -1.26 -0.63 113.70 110.05 1ux2 s SER 182 Ca 0.04 -0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.52 1ux2 s SER 182 Cb -0.06 -0.61 0.02 0.00 -1.71 0.00 0.00 66.02 63.66 1ux2 s SER 182 CO 0.02 -0.10 -0.10 -0.69 1.20 0.00 0.00 173.24 173.56 1ux2 s VAL 183 N 1.42 1.02 -0.30 4.45 1.01 0.33 -4.90 120.40 123.42 1ux2 s VAL 183 Ca -0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1ux2 s VAL 183 Cb -0.13 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1ux2 s VAL 183 CO -0.03 0.33 0.20 -0.89 0.00 0.00 0.00 175.10 174.71 1ux2 s THR 184 N 0.84 5.26 0.39 3.92 2.01 -1.26 -0.26 115.64 126.54 1ux2 s THR 184 Ca -0.11 0.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.89 1ux2 s THR 184 Cb -0.15 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1ux2 s THR 184 CO 0.02 0.16 0.61 -0.31 -0.69 0.00 0.00 174.62 174.41 1ux2 s TYR 185 N 1.74 3.47 0.31 4.92 2.02 -1.26 -5.01 117.35 123.54 1ux2 s TYR 185 Ca 0.07 0.42 0.09 0.00 -0.37 0.00 0.00 57.07 57.27 1ux2 s TYR 185 Cb -0.16 -2.04 0.51 0.00 -0.40 0.00 0.00 41.96 39.87 1ux2 s TYR 185 CO 0.11 -0.03 1.72 1.03 -1.57 0.00 0.00 175.55 176.80 1ux2 h SER 186 N 0.59 0.15 0.00 2.29 0.87 -1.98 -3.14 113.55 112.34 1ux2 h SER 186 Ca -0.49 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 1ux2 h SER 186 Cb 1.22 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1ux2 h SER 186 CO 0.61 0.57 0.02 0.00 -0.53 0.00 0.00 176.83 177.49 1ux2 h PRO 189 N 5.52 0.00 -6.74 0.00 0.11 -1.88 -3.38 132.00 125.63 1ux2 h PRO 189 Ca -0.28 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.39 1ux2 h PRO 189 Cb 1.18 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.33 1ux2 h PRO 189 CO 0.18 0.37 -0.09 -1.21 -0.21 0.00 0.00 178.00 177.04 1ux2 s GLU 190 N -3.47 2.62 -0.03 1.05 0.41 -1.26 -5.00 118.70 113.01 1ux2 s GLU 190 Ca 0.01 -0.89 -0.15 0.00 -0.41 0.00 0.00 54.97 53.53 1ux2 s GLU 190 Cb 0.10 -2.55 -0.05 0.00 -1.78 0.00 0.00 34.13 29.84 1ux2 s GLU 190 CO 0.69 -0.60 0.42 0.00 -0.49 0.00 0.00 175.26 175.28 1ux2 s ALA 191 N -2.66 3.65 -0.15 5.21 0.00 -1.26 -4.38 121.76 122.17 1ux2 s ALA 191 Ca 0.57 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 1ux2 s ALA 191 Cb -0.10 -2.44 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 1ux2 s ALA 191 CO 0.37 0.36 -0.10 0.71 0.00 0.00 0.00 175.76 177.10 1ux2 s TYR 192 N -0.64 2.88 0.15 0.00 2.02 0.65 -0.30 117.35 122.11 1ux2 s TYR 192 Ca 0.24 -0.60 -0.17 0.00 -0.37 0.00 0.00 57.07 56.17 1ux2 s TYR 192 Cb -0.16 -1.90 -0.07 0.00 -0.40 0.00 0.00 41.96 39.43 1ux2 s TYR 192 CO 0.12 -0.21 0.59 -1.21 -1.57 0.00 0.00 175.55 173.28 1ux2 s GLU 193 N 0.48 4.09 0.07 -0.62 2.02 -1.26 -0.52 118.70 122.97 1ux2 s GLU 193 Ca -0.07 0.63 -0.03 0.00 0.02 0.00 0.00 54.97 55.52 1ux2 s GLU 193 Cb -0.15 -2.99 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 1ux2 s GLU 193 CO 0.04 0.50 0.04 0.16 0.02 0.00 0.00 175.26 176.02 1ux2 s ASP 194 N -1.56 0.37 -0.16 -0.19 -4.77 0.20 -4.03 116.67 106.53 1ux2 s ASP 194 Ca 0.37 -0.92 -0.05 0.00 -3.30 0.00 0.00 52.55 48.64 1ux2 s ASP 194 Cb -0.16 0.25 -0.04 0.00 -1.09 0.00 0.00 42.92 41.88 1ux2 s ASP 194 CO 0.20 -0.65 0.02 -0.69 0.70 0.00 0.00 175.17 174.75 1ux2 s VAL 195 N -3.92 4.44 -0.30 2.11 1.01 -0.19 0.04 120.40 123.59 1ux2 s VAL 195 Ca 0.08 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 1ux2 s VAL 195 Cb 0.07 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1ux2 s VAL 195 CO -0.09 0.50 0.17 -0.70 0.00 0.00 0.00 175.10 174.98 1ux2 s GLU 196 N 0.14 3.56 -0.29 2.72 2.12 0.15 -1.06 118.70 126.04 1ux2 s GLU 196 Ca 0.02 -0.58 -0.12 0.00 0.36 0.00 0.00 54.97 54.65 1ux2 s GLU 196 Cb -0.13 -3.61 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 1ux2 s GLU 196 CO 0.01 -0.34 0.25 0.08 -0.54 0.00 0.00 175.26 174.73 1ux2 s VAL 197 N 1.67 5.26 -0.40 3.70 1.01 0.76 -1.28 120.40 131.12 1ux2 s VAL 197 Ca 0.06 0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 1ux2 s VAL 197 Cb -0.17 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1ux2 s VAL 197 CO 0.08 0.19 0.31 -0.44 0.00 0.00 0.00 175.10 175.24 1ux2 s SER 198 N 1.72 6.12 -0.48 3.32 0.01 0.26 -0.36 113.70 124.29 1ux2 s SER 198 Ca 0.09 -0.79 -0.17 0.00 1.31 0.00 0.00 55.95 56.40 1ux2 s SER 198 Cb -0.16 -2.17 0.06 0.00 0.21 0.00 0.00 66.02 63.96 1ux2 s SER 198 CO 0.11 -0.44 0.47 -0.22 0.41 0.00 0.00 173.24 173.58 1ux2 s LEU 199 N 1.76 5.31 -0.32 2.44 2.96 0.14 -2.04 118.68 128.92 1ux2 s LEU 199 Ca 0.06 -1.11 -0.19 0.00 -0.22 0.00 0.00 54.13 52.68 1ux2 s LEU 199 Cb -0.18 -2.29 -0.01 0.00 0.50 0.00 0.00 46.19 44.20 1ux2 s LEU 199 CO 0.11 -0.72 0.55 0.21 -1.32 0.00 0.00 176.35 175.18 1ux2 s ASN 200 N 2.52 6.39 0.12 3.68 2.47 -0.18 -0.37 114.94 129.56 1ux2 s ASN 200 Ca 0.09 0.22 -0.07 0.00 0.42 0.00 0.00 52.86 53.51 1ux2 s ASN 200 Cb -0.22 -2.29 -0.01 0.00 -1.45 0.00 0.00 41.25 37.28 1ux2 s ASN 200 CO 0.09 -0.44 0.18 0.72 -3.72 0.00 0.00 177.10 173.93 1ux2 s PHE 201 N 2.45 0.37 0.05 0.43 -0.12 -0.28 -0.33 117.98 120.56 1ux2 s PHE 201 Ca 0.21 -0.78 -0.14 0.00 -0.05 0.00 0.00 56.93 56.17 1ux2 s PHE 201 Cb -0.15 -0.15 0.02 0.00 -0.63 0.00 0.00 43.02 42.11 1ux2 s PHE 201 CO 0.12 -0.58 0.31 -0.98 -0.05 0.00 0.00 175.22 174.04 1ux2 s ARG 202 N -3.93 0.83 0.30 1.99 1.70 -0.68 -0.13 118.95 119.03 1ux2 s ARG 202 Ca 0.12 -0.50 -0.29 0.00 -0.47 0.00 0.00 55.73 54.59 1ux2 s ARG 202 Cb 0.05 0.36 -0.10 0.00 -0.57 0.00 0.00 34.95 34.69 1ux2 s ARG 202 CO -0.05 -0.27 1.36 0.21 -1.08 0.00 0.00 175.30 175.47 1ux2 s LYS 203 N -2.59 4.32 0.46 3.89 2.20 -0.26 -0.79 119.74 126.97 1ux2 s LYS 203 Ca -0.05 2.25 -0.23 0.00 -0.36 0.00 0.00 55.97 57.58 1ux2 s LYS 203 Cb -0.01 -3.08 -0.07 0.00 -1.51 0.00 0.00 37.83 33.16 1ux2 s LYS 203 CO -0.04 -0.28 1.21 0.15 -0.36 0.00 0.00 175.35 176.03 1ux2 s LYS 204 N -1.26 3.72 0.00 4.03 1.02 -0.45 -4.84 119.74 121.95 1ux2 s LYS 204 Ca 0.53 1.89 0.27 0.00 0.02 0.00 0.00 55.97 58.67 1ux2 s LYS 204 Cb -0.41 -2.45 0.79 0.00 -0.52 0.00 0.00 37.83 35.25 1ux2 s LYS 204 CO 0.50 -0.62 1.60 0.41 -0.92 0.00 0.00 175.35 176.32