#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ux2 s PHE 1 N 0.00 2.92 0.82 4.31 0.08 -1.26 -5.08 117.98 119.77 1ux2 s PHE 1 Ca 0.00 -1.16 -0.08 0.00 0.12 0.00 0.00 56.93 55.81 1ux2 s PHE 1 Cb 0.00 -2.06 0.14 0.00 -0.57 0.00 0.00 43.02 40.53 1ux2 s PHE 1 CO 0.00 -0.63 1.13 0.16 -0.10 0.00 0.00 175.22 175.79 1ux2 s ASP 2 N 1.42 3.96 0.45 1.36 1.47 -1.26 -4.22 116.67 119.86 1ux2 s ASP 2 Ca 0.05 0.09 0.12 0.00 1.18 0.00 0.00 52.55 53.99 1ux2 s ASP 2 Cb -0.14 -0.40 1.04 0.00 -0.34 0.00 0.00 42.92 43.08 1ux2 s ASP 2 CO -0.06 -2.15 2.07 0.03 0.68 0.00 0.00 175.17 175.74 1ux2 h ARG 3 N -1.00 0.32 -0.64 2.11 3.08 -1.98 -1.13 114.38 115.15 1ux2 h ARG 3 Ca -0.42 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 1ux2 h ARG 3 Cb 1.27 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 1ux2 h ARG 3 CO 0.44 0.21 0.31 0.00 -1.07 0.00 0.00 179.97 179.86 1ux2 h ALA 4 N 1.81 0.83 -0.34 0.04 0.00 -1.99 -1.56 119.26 118.05 1ux2 h ALA 4 Ca 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ux2 h ALA 4 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ux2 h ALA 4 CO -0.03 0.40 0.05 -0.44 0.00 0.00 0.00 179.25 179.23 1ux2 h ASP 5 N 0.89 0.55 -0.29 0.00 3.32 -1.59 -0.24 116.42 119.05 1ux2 h ASP 5 Ca 0.22 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1ux2 h ASP 5 Cb 0.12 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1ux2 h ASP 5 CO -0.03 0.67 0.16 0.40 -1.72 0.00 0.00 179.24 178.72 1ux2 h ILE 6 N 0.40 1.12 -0.41 0.35 2.04 -1.33 0.42 117.51 120.11 1ux2 h ILE 6 Ca 0.10 -0.32 -0.14 0.00 1.00 0.00 0.00 64.86 65.50 1ux2 h ILE 6 Cb 0.36 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1ux2 h ILE 6 CO 0.01 0.12 -0.29 -0.07 0.00 0.00 0.00 178.15 177.92 1ux2 h LEU 7 N 0.35 0.93 0.22 1.44 3.38 -1.25 -1.05 115.31 119.33 1ux2 h LEU 7 Ca 0.10 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1ux2 h LEU 7 Cb 0.06 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1ux2 h LEU 7 CO -0.02 1.15 -0.28 0.22 0.09 0.00 0.00 178.44 179.60 1ux2 h TYR 8 N 0.75 -0.75 -0.54 1.13 3.20 -0.88 -0.01 116.97 119.87 1ux2 h TYR 8 Ca 0.08 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.01 1ux2 h TYR 8 Cb 0.86 0.30 -0.05 0.00 1.54 0.00 0.00 36.73 39.38 1ux2 h TYR 8 CO 0.05 -0.40 0.28 -0.91 -1.64 0.00 0.00 178.16 175.55 1ux2 h ASN 9 N -0.55 0.41 -0.45 -2.11 2.35 -0.80 -0.94 115.58 113.47 1ux2 h ASN 9 Ca 0.01 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1ux2 h ASN 9 Cb 0.53 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1ux2 h ASN 9 CO -0.10 0.28 0.25 0.40 -1.65 0.00 0.00 177.43 176.60 1ux2 h ILE 10 N 0.54 1.16 -0.00 2.81 2.04 -1.07 -2.22 117.51 120.77 1ux2 h ILE 10 Ca 0.24 -0.43 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 1ux2 h ILE 10 Cb 0.14 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1ux2 h ILE 10 CO -0.16 0.17 -0.42 -0.09 0.00 0.00 0.00 178.15 177.65 1ux2 h ARG 11 N 0.60 0.01 0.00 2.37 2.43 -0.51 0.99 114.38 120.27 1ux2 h ARG 11 Ca 0.16 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 1ux2 h ARG 11 Cb 0.06 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1ux2 h ARG 11 CO -0.03 0.43 -0.56 1.96 -1.51 0.00 0.00 179.97 180.27 1ux2 h GLN 12 N 0.01 0.00 0.00 0.20 1.08 -1.02 -3.40 115.11 111.98 1ux2 h GLN 12 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ux2 h GLN 12 Cb 0.75 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1ux2 h GLN 12 CO 0.06 0.56 -0.07 0.25 -0.95 0.00 0.00 178.83 178.67 1ux2 n THR 13 N -3.27 0.00 -2.16 -0.54 -2.24 -0.85 -5.01 114.28 100.21 1ux2 n THR 13 Ca 0.01 -0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 1ux2 n THR 13 Cb 0.74 0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.65 6.82 -0.55 3.42 0.15 0.33 -4.98 113.70 118.25 1ux2 s SER 14 Ca 0.00 2.40 -0.04 0.00 0.70 0.00 0.00 55.95 59.00 1ux2 s SER 14 Cb 0.00 -2.60 0.14 0.00 -1.71 0.00 0.00 66.02 61.86 1ux2 s SER 14 CO 0.00 -0.63 0.38 -0.13 1.20 0.00 0.00 173.24 174.06 1ux2 s ARG 15 N 0.58 2.45 0.48 5.44 0.52 -1.26 -4.95 118.95 122.21 1ux2 s ARG 15 Ca 0.62 -2.21 0.32 0.00 -0.52 0.00 0.00 55.73 53.94 1ux2 s ARG 15 Cb -0.38 -3.76 1.37 0.00 0.52 0.00 0.00 34.95 32.71 1ux2 s ARG 15 CO 0.34 -1.15 1.94 -1.35 0.02 0.00 0.00 175.30 175.10 1ux2 h PRO 16 N 7.58 0.00 -0.00 3.54 0.11 -1.83 -1.58 132.00 139.81 1ux2 h PRO 16 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1ux2 h PRO 16 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1ux2 h PRO 16 CO 0.73 0.00 -0.05 -0.40 -0.21 0.00 0.00 178.00 178.07 1ux2 n ASP 17 N -2.84 0.13 -4.33 -2.05 5.68 -1.26 -4.00 116.55 107.88 1ux2 n ASP 17 Ca 0.01 -0.10 -0.39 0.00 -0.50 0.00 0.00 54.79 53.81 1ux2 n ASP 17 Cb 0.25 -0.25 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 1ux2 n ASP 17 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ux2 s VAL 18 N -2.67 4.14 0.19 2.12 1.01 -0.60 -5.07 120.40 119.52 1ux2 s VAL 18 Ca 0.24 -0.91 -0.32 0.00 0.00 0.00 0.00 61.98 61.00 1ux2 s VAL 18 Cb 0.20 -3.28 -0.11 0.00 0.00 0.00 0.00 36.38 33.19 1ux2 s VAL 18 CO 0.49 -0.13 1.74 -0.51 0.00 0.00 0.00 175.10 176.69 1ux2 s ILE 19 N 1.49 2.18 -1.18 2.22 2.07 -1.26 -4.83 121.20 121.88 1ux2 s ILE 19 Ca 0.01 0.05 -0.16 0.00 -1.41 0.00 0.00 60.65 59.13 1ux2 s ILE 19 Cb -0.19 -3.03 -0.05 0.00 0.13 0.00 0.00 42.46 39.32 1ux2 s ILE 19 CO 0.04 0.00 2.16 -0.81 -1.91 0.00 0.00 174.94 174.42 1ux2 n PRO 20 N 4.40 2.35 -2.88 3.50 -0.04 -1.26 -4.94 135.00 136.13 1ux2 n PRO 20 Ca 0.16 -2.22 -0.41 0.00 -0.04 0.00 0.00 63.50 61.00 1ux2 n PRO 20 Cb 0.36 -3.07 -0.04 0.00 -0.04 0.00 0.00 33.50 30.71 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 3.83 4.81 -0.18 0.52 -4.23 -1.26 -4.72 115.64 114.40 1ux2 s THR 21 Ca 0.52 1.78 0.01 0.00 -1.18 0.00 0.00 61.69 62.82 1ux2 s THR 21 Cb 0.14 -4.19 0.03 0.00 1.34 0.00 0.00 72.50 69.82 1ux2 s THR 21 CO -0.01 0.27 -0.18 -1.58 -0.54 0.00 0.00 174.62 172.58 1ux2 s GLN 22 N 0.48 2.78 -1.63 3.99 0.74 -1.26 -4.67 119.66 120.10 1ux2 s GLN 22 Ca 0.44 -0.84 -0.14 0.00 0.05 0.00 0.00 55.36 54.86 1ux2 s GLN 22 Cb -0.20 -2.53 0.12 0.00 1.10 0.00 0.00 33.01 31.49 1ux2 s GLN 22 CO 0.24 -0.26 0.70 0.54 -0.55 0.00 0.00 175.29 175.97 1ux2 n ARG 23 N 4.62 -3.28 -1.83 1.67 5.12 -1.26 -2.15 116.66 119.55 1ux2 n ARG 23 Ca -0.20 0.39 -0.20 0.00 -1.93 0.00 0.00 57.85 55.91 1ux2 n ARG 23 Cb 0.49 -4.96 -0.06 0.00 -1.16 0.00 0.00 32.46 26.77 1ux2 n ARG 23 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1ux2 n ASP 24 N -2.74 -5.43 -4.90 0.55 2.03 -1.26 -5.00 116.55 99.80 1ux2 n ASP 24 Ca -0.02 0.35 -0.29 0.00 0.52 0.00 0.00 54.79 55.35 1ux2 n ASP 24 Cb 0.54 -4.72 -0.03 0.00 -0.72 0.00 0.00 41.12 36.19 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 -4.11 3.63 0.59 -0.67 0.52 -0.91 -4.98 118.95 113.01 1ux2 s ARG 25 Ca 0.00 -0.02 -0.18 0.00 -0.52 0.00 0.00 55.73 55.00 1ux2 s ARG 25 Cb 0.00 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 1ux2 s ARG 25 CO 0.00 0.26 1.15 -1.25 0.02 0.00 0.00 175.30 175.49 1ux2 s PRO 26 N -3.40 3.09 0.03 3.54 0.04 -1.15 -3.98 135.00 133.17 1ux2 s PRO 26 Ca 0.43 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.81 1ux2 s PRO 26 Cb -0.11 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.41 1ux2 s PRO 26 CO 0.29 -1.07 1.29 0.08 0.04 0.00 0.00 177.00 177.63 1ux2 s VAL 27 N -1.82 3.86 -0.47 -0.36 1.01 0.28 -4.78 120.40 118.12 1ux2 s VAL 27 Ca 0.73 1.29 -0.23 0.00 0.00 0.00 0.00 61.98 63.78 1ux2 s VAL 27 Cb -0.25 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1ux2 s VAL 27 CO 0.32 0.05 0.77 0.00 0.00 0.00 0.00 175.10 176.25 1ux2 s ALA 28 N 1.64 3.29 -0.26 5.51 0.00 -1.26 -1.30 121.76 129.38 1ux2 s ALA 28 Ca 0.61 -1.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.35 1ux2 s ALA 28 Cb -0.30 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 1ux2 s ALA 28 CO 0.27 -1.98 0.08 0.08 0.00 0.00 0.00 175.76 174.21 1ux2 s VAL 29 N 3.26 4.35 -0.10 0.00 1.01 -0.24 -4.44 120.40 124.24 1ux2 s VAL 29 Ca 0.27 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 1ux2 s VAL 29 Cb -0.13 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1ux2 s VAL 29 CO 0.21 0.29 0.48 -0.44 0.00 0.00 0.00 175.10 175.64 1ux2 s SER 30 N 1.61 6.72 -0.08 3.32 0.01 0.39 -0.65 113.70 125.02 1ux2 s SER 30 Ca 0.06 0.85 0.02 0.00 1.31 0.00 0.00 55.95 58.19 1ux2 s SER 30 Cb -0.15 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 63.80 1ux2 s SER 30 CO 0.04 0.03 -0.12 -0.69 0.41 0.00 0.00 173.24 172.90 1ux2 s VAL 31 N 0.46 1.21 -0.08 3.43 1.01 -0.88 -1.69 120.40 123.86 1ux2 s VAL 31 Ca 0.26 -0.49 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 1ux2 s VAL 31 Cb -0.15 -1.12 0.04 0.00 0.00 0.00 0.00 36.38 35.15 1ux2 s VAL 31 CO 0.11 0.38 0.15 -0.55 0.00 0.00 0.00 175.10 175.19 1ux2 s SER 32 N 0.87 0.40 -0.13 3.32 0.15 -0.14 -3.61 113.70 114.56 1ux2 s SER 32 Ca -0.10 0.32 -0.16 0.00 0.70 0.00 0.00 55.95 56.70 1ux2 s SER 32 Cb -0.15 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1ux2 s SER 32 CO 0.01 -0.21 0.38 -0.76 1.20 0.00 0.00 173.24 173.87 1ux2 s LEU 33 N 1.83 4.27 -0.31 3.45 1.43 -1.26 -1.08 118.68 127.00 1ux2 s LEU 33 Ca -0.02 0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 53.72 1ux2 s LEU 33 Cb -0.12 -2.53 0.05 0.00 0.03 0.00 0.00 46.19 43.63 1ux2 s LEU 33 CO -0.06 0.07 0.03 -0.54 0.23 0.00 0.00 176.35 176.08 1ux2 s LYS 34 N 0.46 2.40 0.11 1.70 -0.14 -0.21 -4.97 119.74 119.10 1ux2 s LYS 34 Ca 0.21 -1.31 -0.30 0.00 -1.36 0.00 0.00 55.97 53.20 1ux2 s LYS 34 Cb -0.14 -3.25 -0.07 0.00 -1.68 0.00 0.00 37.83 32.69 1ux2 s LYS 34 CO 0.07 -0.67 1.19 -0.06 -0.76 0.00 0.00 175.35 175.12 1ux2 s PHE 35 N 1.26 3.46 -0.11 3.18 0.08 -1.26 -0.42 117.98 124.16 1ux2 s PHE 35 Ca -0.03 1.38 0.02 0.00 0.12 0.00 0.00 56.93 58.41 1ux2 s PHE 35 Cb -0.20 -3.40 -0.08 0.00 -0.57 0.00 0.00 43.02 38.77 1ux2 s PHE 35 CO -0.01 -1.17 -0.08 -0.89 -0.10 0.00 0.00 175.22 172.97 1ux2 n ILE 36 N 3.28 0.65 -3.63 0.64 2.08 0.46 -3.29 119.36 119.56 1ux2 n ILE 36 Ca 0.07 -0.27 -0.15 0.00 0.56 0.00 0.00 62.75 62.96 1ux2 n ILE 36 Cb 0.46 -0.89 -0.07 0.00 -0.75 0.00 0.00 39.64 38.39 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 -4.98 -0.41 -0.21 4.38 3.84 -0.92 -0.02 114.94 116.62 1ux2 s ASN 37 Ca -0.14 0.28 0.02 0.00 0.21 0.00 0.00 52.86 53.22 1ux2 s ASN 37 Cb 0.04 0.44 0.04 0.00 -0.55 0.00 0.00 41.25 41.22 1ux2 s ASN 37 CO 0.28 -0.60 -0.14 -0.63 -2.79 0.00 0.00 177.10 173.22 1ux2 s ILE 38 N -1.77 1.97 -0.22 -5.21 1.01 -1.26 -0.68 121.20 115.03 1ux2 s ILE 38 Ca -0.09 -1.19 0.06 0.00 0.00 0.00 0.00 60.65 59.43 1ux2 s ILE 38 Cb -0.02 -1.95 -0.20 0.00 0.01 0.00 0.00 42.46 40.30 1ux2 s ILE 38 CO 0.03 0.24 -0.07 0.18 0.00 0.00 0.00 174.94 175.32 1ux2 n LEU 39 N 4.58 2.05 -3.69 2.97 4.77 0.45 -4.59 117.00 123.54 1ux2 n LEU 39 Ca -0.17 -0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 55.65 1ux2 n LEU 39 Cb 0.46 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 1ux2 n LEU 39 CO 0.23 0.79 0.16 -0.70 -1.33 0.00 0.00 177.39 176.54 1ux2 s GLU 40 N -2.52 0.54 0.00 3.23 2.12 -1.15 -4.99 118.70 115.93 1ux2 s GLU 40 Ca -0.26 0.82 0.03 0.00 0.36 0.00 0.00 54.97 55.92 1ux2 s GLU 40 Cb 0.08 0.15 -0.01 0.00 0.26 0.00 0.00 34.13 34.61 1ux2 s GLU 40 CO 0.69 -0.12 -0.10 0.08 -0.54 0.00 0.00 175.26 175.27 1ux2 s VAL 41 N 0.91 0.81 -0.23 3.70 1.01 -1.26 -0.30 120.40 125.03 1ux2 s VAL 41 Ca -0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1ux2 s VAL 41 Cb -0.06 -0.70 0.08 0.00 0.00 0.00 0.00 36.38 35.71 1ux2 s VAL 41 CO -0.08 0.16 0.09 0.21 0.00 0.00 0.00 175.10 175.48 1ux2 s ASN 42 N -0.43 3.05 0.38 3.32 3.84 -0.58 -5.02 114.94 119.50 1ux2 s ASN 42 Ca 0.03 -1.00 0.19 0.00 0.21 0.00 0.00 52.86 52.30 1ux2 s ASN 42 Cb -0.05 -0.42 0.65 0.00 -0.55 0.00 0.00 41.25 40.88 1ux2 s ASN 42 CO -0.00 -0.38 1.71 -0.08 -2.79 0.00 0.00 177.10 175.56 1ux2 h GLU 43 N 8.34 0.00 -0.03 0.43 4.81 -1.88 0.56 114.58 126.82 1ux2 h GLU 43 Ca -0.17 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1ux2 h GLU 43 Cb 1.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1ux2 h GLU 43 CO 0.37 0.36 -0.03 0.82 -0.73 0.00 0.00 179.01 179.80 1ux2 h ILE 44 N 0.00 1.37 -0.00 2.32 1.08 -1.97 -3.32 117.51 116.99 1ux2 h ILE 44 Ca -0.00 -1.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.33 1ux2 h ILE 44 Cb 0.93 2.06 0.00 0.00 -3.07 0.00 0.00 36.82 36.75 1ux2 h ILE 44 CO 0.05 0.30 -0.47 0.35 -0.69 0.00 0.00 178.15 177.69 1ux2 n THR 45 N -4.80 0.00 -3.45 -0.27 -2.24 -1.19 -4.98 114.28 97.34 1ux2 n THR 45 Ca -0.08 -0.02 -0.18 0.00 -2.27 0.00 0.00 64.05 61.51 1ux2 n THR 45 Cb 0.26 0.28 0.08 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.37 -2.39 -4.09 3.42 3.02 0.16 -4.94 115.26 109.08 1ux2 n ASN 46 Ca 0.07 -0.66 -0.22 0.00 -0.03 0.00 0.00 54.58 53.73 1ux2 n ASN 46 Cb 0.34 -4.97 -0.15 0.00 -0.61 0.00 0.00 39.78 34.39 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 -5.36 1.15 0.05 3.52 2.02 -1.05 -1.98 118.70 117.06 1ux2 s GLU 47 Ca 0.05 -0.47 0.07 0.00 0.02 0.00 0.00 54.97 54.64 1ux2 s GLU 47 Cb -0.01 -1.09 -0.03 0.00 0.10 0.00 0.00 34.13 33.11 1ux2 s GLU 47 CO 0.74 0.26 -0.19 0.14 0.02 0.00 0.00 175.26 176.23 1ux2 s VAL 48 N -0.19 1.54 -0.21 2.63 -7.23 -0.24 -1.52 120.40 115.18 1ux2 s VAL 48 Ca 0.03 -1.22 -0.02 0.00 -1.81 0.00 0.00 61.98 58.95 1ux2 s VAL 48 Cb -0.06 -1.37 0.00 0.00 0.56 0.00 0.00 36.38 35.51 1ux2 s VAL 48 CO -0.00 0.10 -0.09 -0.62 -0.31 0.00 0.00 175.10 174.19 1ux2 s ASP 49 N -1.31 3.98 0.09 4.85 -1.08 0.59 -0.51 116.67 123.27 1ux2 s ASP 49 Ca 0.06 -0.49 0.04 0.00 -0.52 0.00 0.00 52.55 51.64 1ux2 s ASP 49 Cb -0.09 -1.66 -0.03 0.00 -1.46 0.00 0.00 42.92 39.67 1ux2 s ASP 49 CO 0.02 -0.02 -0.10 0.54 0.52 0.00 0.00 175.17 176.13 1ux2 s VAL 50 N 1.42 0.92 -0.12 1.11 0.11 -0.70 -0.41 120.40 122.73 1ux2 s VAL 50 Ca 0.05 -1.53 0.03 0.00 -2.93 0.00 0.00 61.98 57.61 1ux2 s VAL 50 Cb -0.14 -1.23 0.01 0.00 -1.53 0.00 0.00 36.38 33.48 1ux2 s VAL 50 CO -0.06 -0.49 -0.22 -0.69 -3.33 0.00 0.00 175.10 170.31 1ux2 s VAL 51 N -2.16 2.00 0.00 2.04 1.01 0.14 -1.83 120.40 121.62 1ux2 s VAL 51 Ca 0.03 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 1ux2 s VAL 51 Cb -0.05 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1ux2 s VAL 51 CO 0.00 0.54 0.18 0.72 0.00 0.00 0.00 175.10 176.55 1ux2 s PHE 52 N 0.60 -0.01 -0.22 5.22 -0.12 -0.46 -0.40 117.98 122.60 1ux2 s PHE 52 Ca -0.13 -0.06 -0.24 0.00 -0.05 0.00 0.00 56.93 56.45 1ux2 s PHE 52 Cb -0.17 -0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.20 1ux2 s PHE 52 CO 0.03 -0.33 0.80 -1.58 -0.05 0.00 0.00 175.22 174.09 1ux2 s TRP 53 N -1.50 3.35 -0.97 3.49 0.51 0.44 -0.38 118.94 123.88 1ux2 s TRP 53 Ca -0.14 1.13 -0.13 0.00 -2.12 0.00 0.00 56.10 54.84 1ux2 s TRP 53 Cb -0.06 -3.00 0.21 0.00 -0.81 0.00 0.00 33.47 29.81 1ux2 s TRP 53 CO 0.02 -0.33 1.01 -1.14 -0.51 0.00 0.00 176.95 176.00 1ux2 s GLN 54 N 2.53 3.83 -0.40 4.98 0.74 -0.59 -1.04 119.66 129.70 1ux2 s GLN 54 Ca 0.35 -2.56 -0.29 0.00 0.05 0.00 0.00 55.36 52.91 1ux2 s GLN 54 Cb -0.16 -4.63 0.01 0.00 1.10 0.00 0.00 33.01 29.33 1ux2 s GLN 54 CO 0.09 -1.42 1.35 -1.14 -0.55 0.00 0.00 175.29 173.62 1ux2 s GLN 55 N 0.39 3.67 -0.13 1.67 0.74 -0.24 -3.89 119.66 121.87 1ux2 s GLN 55 Ca 0.27 0.96 0.02 0.00 0.05 0.00 0.00 55.36 56.66 1ux2 s GLN 55 Cb -0.08 -3.98 0.01 0.00 1.10 0.00 0.00 33.01 30.06 1ux2 s GLN 55 CO -0.08 -1.44 -0.20 0.99 -0.55 0.00 0.00 175.29 174.01 1ux2 s THR 56 N 5.07 1.87 0.08 -0.34 2.01 0.08 -0.97 115.64 123.44 1ux2 s THR 56 Ca 0.58 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.78 1ux2 s THR 56 Cb -0.13 -1.67 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 1ux2 s THR 56 CO 0.30 0.51 -0.16 0.42 -0.69 0.00 0.00 174.62 175.00 1ux2 s THR 57 N 0.91 1.28 0.13 -0.82 -4.23 -0.68 -0.27 115.64 111.96 1ux2 s THR 57 Ca -0.06 -1.37 -0.25 0.00 -1.18 0.00 0.00 61.69 58.83 1ux2 s THR 57 Cb -0.15 -1.21 0.07 0.00 1.34 0.00 0.00 72.50 72.55 1ux2 s THR 57 CO -0.03 -0.17 0.82 -1.66 -0.54 0.00 0.00 174.62 173.04 1ux2 s TRP 58 N -1.24 -0.29 -0.13 3.99 -2.14 -0.89 -0.46 118.94 117.78 1ux2 s TRP 58 Ca 0.00 0.03 -0.06 0.00 2.66 0.00 0.00 56.10 58.74 1ux2 s TRP 58 Cb -0.10 0.61 -0.04 0.00 -3.10 0.00 0.00 33.47 30.84 1ux2 s TRP 58 CO 0.03 -0.83 0.09 0.45 -2.66 0.00 0.00 176.95 174.03 1ux2 s SER 59 N -2.76 5.92 -0.31 -2.66 0.15 -1.26 -0.02 113.70 112.76 1ux2 s SER 59 Ca 0.07 0.29 -0.02 0.00 0.70 0.00 0.00 55.95 57.00 1ux2 s SER 59 Cb -0.02 -1.89 0.10 0.00 -1.71 0.00 0.00 66.02 62.50 1ux2 s SER 59 CO -0.03 0.34 0.12 -0.62 1.20 0.00 0.00 173.24 174.24 1ux2 s ASP 60 N -0.63 3.80 0.29 5.45 -1.08 0.19 -4.89 116.67 119.81 1ux2 s ASP 60 Ca 0.12 -1.53 0.25 0.00 -0.52 0.00 0.00 52.55 50.87 1ux2 s ASP 60 Cb -0.12 -0.65 1.03 0.00 -1.46 0.00 0.00 42.92 41.73 1ux2 s ASP 60 CO 0.02 -0.42 1.74 0.03 0.52 0.00 0.00 175.17 177.07 1ux2 h ARG 61 N 8.17 0.00 0.00 4.34 -0.00 -1.85 -2.09 114.38 122.94 1ux2 h ARG 61 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.33 1ux2 h ARG 61 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.98 1ux2 h ARG 61 CO 0.45 0.00 0.00 0.25 0.00 0.00 0.00 179.97 180.67 1ux2 n THR 62 N -2.34 0.39 0.39 2.04 -2.24 -1.26 -2.86 114.28 108.39 1ux2 n THR 62 Ca 0.02 0.10 0.11 0.00 -2.27 0.00 0.00 64.05 62.01 1ux2 n THR 62 Cb 0.23 -0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 67.68 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 -1.35 0.51 -4.74 3.22 4.77 -0.79 -4.88 117.00 113.75 1ux2 n LEU 63 Ca 0.09 -0.02 -0.37 0.00 -0.03 0.00 0.00 56.01 55.68 1ux2 n LEU 63 Cb 0.20 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1ux2 n LEU 63 CO 0.18 0.02 0.93 0.00 -1.33 0.00 0.00 177.39 177.19 1ux2 s ALA 64 N -3.29 2.54 0.06 -1.18 0.00 -1.14 -4.76 121.76 114.00 1ux2 s ALA 64 Ca 0.00 1.26 -0.03 0.00 0.00 0.00 0.00 51.96 53.19 1ux2 s ALA 64 Cb 0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1ux2 s ALA 64 CO 0.84 -1.52 0.03 1.67 0.00 0.00 0.00 175.76 176.78 1ux2 s TRP 65 N -1.36 0.42 -0.45 0.00 -2.14 -0.62 -4.97 118.94 109.81 1ux2 s TRP 65 Ca 0.79 -0.93 -0.29 0.00 2.66 0.00 0.00 56.10 58.33 1ux2 s TRP 65 Cb -0.39 -0.30 0.01 0.00 -3.10 0.00 0.00 33.47 29.70 1ux2 s TRP 65 CO 0.43 -0.43 1.40 1.21 -2.66 0.00 0.00 176.95 176.90 1ux2 s ASN 66 N -2.90 6.30 -0.30 -2.66 3.84 -1.26 -4.68 114.94 113.27 1ux2 s ASN 66 Ca 0.06 0.69 0.10 0.00 0.21 0.00 0.00 52.86 53.92 1ux2 s ASN 66 Cb 0.07 -2.54 0.60 0.00 -0.55 0.00 0.00 41.25 38.83 1ux2 s ASN 66 CO -0.10 -1.49 1.62 -1.54 -2.79 0.00 0.00 177.10 172.80 1ux2 n SER 67 N 8.95 3.59 0.13 -4.21 3.41 -1.26 -4.61 113.62 119.62 1ux2 n SER 67 Ca 0.15 -3.45 0.03 0.00 -0.26 0.00 0.00 58.87 55.34 1ux2 n SER 67 Cb 0.48 -0.68 0.41 0.00 -0.26 0.00 0.00 64.21 64.16 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 1.58 0.21 -0.08 4.04 4.64 -1.95 -3.09 113.55 118.90 1ux2 h SER 68 Ca 0.26 -0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 61.40 1ux2 h SER 68 Cb 2.00 -0.05 -0.25 0.00 -0.31 0.00 0.00 62.40 63.79 1ux2 h SER 68 CO 0.57 0.36 -0.84 1.41 -0.87 0.00 0.00 176.83 177.46 1ux2 n HIS 69 N -4.29 0.25 -4.09 4.77 8.25 -1.26 -5.08 115.22 113.77 1ux2 n HIS 69 Ca -0.01 -1.09 -0.08 0.00 -0.26 0.00 0.00 57.72 56.28 1ux2 n HIS 69 Cb 0.26 -0.20 -0.10 0.00 1.12 0.00 0.00 29.99 31.07 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 -2.68 0.41 0.31 0.41 0.01 -1.17 -2.87 113.70 108.11 1ux2 s SER 70 Ca 0.36 -1.05 -0.27 0.00 1.31 0.00 0.00 55.95 56.30 1ux2 s SER 70 Cb 0.38 0.24 -0.13 0.00 0.21 0.00 0.00 66.02 66.72 1ux2 s SER 70 CO -0.11 -0.65 1.03 -2.65 0.41 0.00 0.00 173.24 171.26 1ux2 n PRO 71 N 0.03 1.41 -0.13 12.44 -0.02 -1.26 -4.76 135.00 142.72 1ux2 n PRO 71 Ca -0.11 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 61.98 1ux2 n PRO 71 Cb 0.62 -1.91 0.18 0.00 -0.02 0.00 0.00 33.50 32.37 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 1.10 3.34 -3.78 2.55 3.85 -1.26 -4.82 116.55 117.52 1ux2 n ASP 72 Ca 0.09 -2.00 -0.13 0.00 -0.71 0.00 0.00 54.79 52.04 1ux2 n ASP 72 Cb 0.33 -0.17 -0.11 0.00 -1.35 0.00 0.00 41.12 39.82 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 -1.66 0.34 0.07 0.11 -0.21 -1.26 0.04 119.66 117.09 1ux2 s GLN 73 Ca 0.35 0.33 0.00 0.00 0.02 0.00 0.00 55.36 56.07 1ux2 s GLN 73 Cb 0.22 0.17 -0.04 0.00 1.00 0.00 0.00 33.01 34.36 1ux2 s GLN 73 CO 0.31 -0.05 -0.05 0.14 -2.12 0.00 0.00 175.29 173.53 1ux2 s VAL 74 N 0.03 0.41 -0.14 1.09 -7.23 -0.37 -5.00 120.40 109.20 1ux2 s VAL 74 Ca -0.01 -1.79 -0.14 0.00 -1.81 0.00 0.00 61.98 58.23 1ux2 s VAL 74 Cb -0.02 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.38 1ux2 s VAL 74 CO 0.01 -0.90 0.31 -0.44 -0.31 0.00 0.00 175.10 173.76 1ux2 s SER 75 N -2.85 6.49 -0.03 4.85 0.01 -1.26 -0.68 113.70 120.23 1ux2 s SER 75 Ca 0.07 0.58 0.03 0.00 1.31 0.00 0.00 55.95 57.94 1ux2 s SER 75 Cb 0.05 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 64.10 1ux2 s SER 75 CO -0.07 0.14 -0.11 -0.69 0.41 0.00 0.00 173.24 172.92 1ux2 s VAL 76 N 0.20 0.96 0.34 3.43 1.01 0.47 -4.94 120.40 121.88 1ux2 s VAL 76 Ca 0.18 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 1ux2 s VAL 76 Cb -0.13 -0.84 -0.11 0.00 0.00 0.00 0.00 36.38 35.29 1ux2 s VAL 76 CO 0.05 0.29 1.53 -2.65 0.00 0.00 0.00 175.10 174.32 1ux2 n PRO 77 N 3.26 2.68 0.31 2.72 -0.02 -1.26 -0.23 135.00 142.47 1ux2 n PRO 77 Ca -0.18 0.94 0.20 0.00 -2.02 0.00 0.00 63.50 62.44 1ux2 n PRO 77 Cb 0.54 -2.69 1.02 0.00 -0.02 0.00 0.00 33.50 32.34 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 3.10 0.05 0.00 4.25 3.07 -1.74 -0.86 117.51 125.39 1ux2 h ILE 78 Ca -0.49 -0.20 -0.01 0.00 1.55 0.00 0.00 64.86 65.71 1ux2 h ILE 78 Cb 1.24 1.18 -0.00 0.00 -0.27 0.00 0.00 36.82 38.97 1ux2 h ILE 78 CO 0.70 0.01 -0.07 0.77 -1.05 0.00 0.00 178.15 178.51 1ux2 h SER 79 N 0.00 0.00 -0.09 2.16 4.64 -1.89 -1.34 113.55 117.03 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 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1ux2 h SER 79 CO 0.00 0.07 0.00 -1.20 -0.87 0.00 0.00 176.83 174.83 1ux2 n SER 80 N -3.54 1.74 -4.18 4.97 7.64 -0.33 -4.87 113.62 115.06 1ux2 n SER 80 Ca -0.02 -1.63 -0.19 0.00 1.01 0.00 0.00 58.87 58.04 1ux2 n SER 80 Cb 0.19 -0.05 -0.12 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.80 2.28 0.22 -3.43 1.43 -0.51 -4.62 118.68 112.25 1ux2 s LEU 81 Ca 0.35 -0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 1ux2 s LEU 81 Cb 0.20 -0.54 -0.09 0.00 0.03 0.00 0.00 46.19 45.79 1ux2 s LEU 81 CO 0.30 -0.07 1.24 0.86 0.23 0.00 0.00 176.35 178.92 1ux2 s TRP 82 N -1.26 3.34 0.01 0.29 -0.00 -1.26 -4.67 118.94 115.40 1ux2 s TRP 82 Ca -0.01 1.38 0.05 0.00 -0.00 0.00 0.00 56.10 57.51 1ux2 s TRP 82 Cb -0.10 -3.51 -0.02 0.00 -0.00 0.00 0.00 33.47 29.85 1ux2 s TRP 82 CO 0.02 -1.46 -0.16 0.08 -0.00 0.00 0.00 176.95 175.44 1ux2 s VAL 83 N -0.23 1.23 0.31 5.86 1.01 -1.26 -5.05 120.40 122.27 1ux2 s VAL 83 Ca 0.53 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 1ux2 s VAL 83 Cb -0.35 -1.05 -0.11 0.00 0.00 0.00 0.00 36.38 34.86 1ux2 s VAL 83 CO 0.39 0.24 1.59 -0.81 0.00 0.00 0.00 175.10 176.51 1ux2 n PRO 84 N 2.39 2.74 -0.93 2.72 -0.04 -1.26 -4.87 135.00 135.75 1ux2 n PRO 84 Ca -0.16 0.97 -0.24 0.00 -0.04 0.00 0.00 63.50 64.04 1ux2 n PRO 84 Cb 0.55 -2.76 -0.06 0.00 -0.04 0.00 0.00 33.50 31.19 1ux2 n PRO 84 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ux2 n ASP 85 N 1.93 5.89 -4.78 3.54 5.75 -1.26 -4.95 116.55 122.66 1ux2 n ASP 85 Ca 0.07 -2.38 -0.37 0.00 -0.01 0.00 0.00 54.79 52.11 1ux2 n ASP 85 Cb 0.37 -1.24 -0.06 0.00 -1.03 0.00 0.00 41.12 39.16 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 0.09 4.31 -0.06 -2.12 1.43 -1.26 -0.71 118.68 120.36 1ux2 s LEU 86 Ca 0.53 1.89 -0.06 0.00 -1.03 0.00 0.00 54.13 55.46 1ux2 s LEU 86 Cb 0.17 -4.03 0.02 0.00 0.03 0.00 0.00 46.19 42.38 1ux2 s LEU 86 CO -0.03 -0.14 0.16 0.00 0.23 0.00 0.00 176.35 176.56 1ux2 s ALA 87 N -1.61 -0.39 -0.22 4.21 0.00 0.53 -4.85 121.76 119.43 1ux2 s ALA 87 Ca 0.51 0.43 -0.29 0.00 0.00 0.00 0.00 51.96 52.61 1ux2 s ALA 87 Cb -0.20 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1ux2 s ALA 87 CO 0.25 -0.08 1.04 0.00 0.00 0.00 0.00 175.76 176.97 1ux2 s ALA 88 N 0.03 3.66 0.34 0.00 0.00 -1.26 -1.91 121.76 122.63 1ux2 s ALA 88 Ca -0.01 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.18 1ux2 s ALA 88 Cb -0.01 -3.54 0.60 0.00 0.00 0.00 0.00 23.12 20.16 1ux2 s ALA 88 CO 0.00 -1.01 1.93 1.88 0.00 0.00 0.00 175.76 178.56 1ux2 h TYR 89 N 7.43 0.70 -0.60 0.00 0.05 -0.68 -2.86 116.97 121.00 1ux2 h TYR 89 Ca -0.20 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.55 1ux2 h TYR 89 Cb 1.07 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.59 1ux2 h TYR 89 CO 0.75 0.54 0.00 0.27 -1.05 0.00 0.00 178.16 178.67 1ux2 n ASN 90 N -4.36 4.71 -4.77 3.88 6.94 -1.26 -4.97 115.26 115.44 1ux2 n ASN 90 Ca 0.04 -2.51 -0.40 0.00 -0.02 0.00 0.00 54.58 51.68 1ux2 n ASN 90 Cb 0.15 -0.57 -0.03 0.00 -2.36 0.00 0.00 39.78 36.97 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 -1.96 3.41 -0.16 -2.53 0.00 -1.08 -1.59 121.76 117.85 1ux2 s ALA 91 Ca 0.50 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.54 1ux2 s ALA 91 Cb 0.33 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 20.08 1ux2 s ALA 91 CO 0.22 -0.43 0.88 0.44 0.00 0.00 0.00 175.76 176.88 1ux2 n ILE 92 N 0.85 0.68 -4.13 0.00 -5.35 -0.42 -4.87 119.36 106.12 1ux2 n ILE 92 Ca 0.00 -0.84 -0.09 0.00 -0.27 0.00 0.00 62.75 61.55 1ux2 n ILE 92 Cb 0.44 0.67 -0.10 0.00 -1.74 0.00 0.00 39.64 38.90 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 -0.73 0.39 0.41 7.28 1.04 -1.23 -4.95 113.70 115.90 1ux2 s SER 93 Ca 0.03 -1.12 -0.24 0.00 0.48 0.00 0.00 55.95 55.09 1ux2 s SER 93 Cb 0.02 0.26 -0.09 0.00 0.10 0.00 0.00 66.02 66.31 1ux2 s SER 93 CO 0.02 -0.68 1.10 -0.54 0.98 0.00 0.00 173.24 174.13 1ux2 s LYS 94 N -4.00 4.07 0.03 4.02 1.02 -1.26 -4.67 119.74 118.96 1ux2 s LYS 94 Ca 0.17 1.65 -0.30 0.00 0.02 0.00 0.00 55.97 57.51 1ux2 s LYS 94 Cb 0.08 -2.57 -0.08 0.00 -0.52 0.00 0.00 37.83 34.74 1ux2 s LYS 94 CO -0.03 -0.25 1.70 -1.25 -0.92 0.00 0.00 175.35 174.59 1ux2 s PRO 95 N -2.45 4.19 -0.46 -1.68 0.04 -1.26 -4.80 135.00 128.58 1ux2 s PRO 95 Ca 0.58 2.33 -0.18 0.00 0.04 0.00 0.00 61.00 63.77 1ux2 s PRO 95 Cb -0.26 -3.78 0.04 0.00 0.04 0.00 0.00 34.50 30.54 1ux2 s PRO 95 CO 0.32 -0.80 0.53 -2.00 0.04 0.00 0.00 177.00 175.09 1ux2 s GLU 96 N 3.28 3.12 -0.21 4.56 2.12 -0.44 -4.96 118.70 126.16 1ux2 s GLU 96 Ca 0.76 -0.82 -0.25 0.00 0.36 0.00 0.00 54.97 55.02 1ux2 s GLU 96 Cb -0.38 -4.03 -0.01 0.00 0.26 0.00 0.00 34.13 29.97 1ux2 s GLU 96 CO 0.33 -1.02 0.85 0.08 -0.54 0.00 0.00 175.26 174.95 1ux2 s VAL 97 N 2.35 4.84 -0.39 3.70 1.01 -1.26 -0.18 120.40 130.46 1ux2 s VAL 97 Ca 0.14 1.63 0.23 0.00 0.00 0.00 0.00 61.98 63.98 1ux2 s VAL 97 Cb -0.18 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1ux2 s VAL 97 CO 0.13 -0.04 1.07 0.18 0.00 0.00 0.00 175.10 176.43 1ux2 n LEU 98 N 5.73 0.71 -4.71 3.92 4.77 0.14 -4.97 117.00 122.59 1ux2 n LEU 98 Ca 0.06 0.21 -0.23 0.00 -0.03 0.00 0.00 56.01 56.02 1ux2 n LEU 98 Cb 0.48 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 1ux2 n LEU 98 CO 0.48 -0.10 -0.25 0.42 -1.33 0.00 0.00 177.39 176.61 1ux2 s THR 99 N -3.29 3.53 0.30 -5.08 -4.23 -1.25 -4.99 115.64 100.62 1ux2 s THR 99 Ca 0.01 -1.74 -0.29 0.00 -1.18 0.00 0.00 61.69 58.49 1ux2 s THR 99 Cb 0.12 -3.00 -0.13 0.00 1.34 0.00 0.00 72.50 70.83 1ux2 s THR 99 CO 0.78 -0.31 1.34 -2.65 -0.54 0.00 0.00 174.62 173.24 1ux2 n PRO 100 N -1.03 2.08 -2.19 3.99 -0.02 -1.26 -4.86 135.00 131.71 1ux2 n PRO 100 Ca -0.06 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 1ux2 n PRO 100 Cb 0.59 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 1.20 3.62 -5.04 -0.52 6.02 -1.26 -4.90 117.38 116.50 1ux2 n GLN 101 Ca 0.08 -3.36 -0.29 0.00 -0.01 0.00 0.00 57.00 53.41 1ux2 n GLN 101 Cb 0.34 -2.94 -0.15 0.00 1.02 0.00 0.00 30.24 28.51 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 -0.03 2.10 0.30 1.08 1.43 -1.26 -2.01 118.68 120.29 1ux2 s LEU 102 Ca 0.43 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 53.11 1ux2 s LEU 102 Cb 0.11 -1.22 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 1ux2 s LEU 102 CO -0.02 0.27 0.16 0.00 0.23 0.00 0.00 176.35 176.99 1ux2 s ALA 103 N -0.67 3.53 -0.18 4.21 0.00 0.69 -4.71 121.76 124.62 1ux2 s ALA 103 Ca 0.10 -1.65 -0.06 0.00 0.00 0.00 0.00 51.96 50.34 1ux2 s ALA 103 Cb -0.09 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1ux2 s ALA 103 CO 0.00 0.13 0.04 0.50 0.00 0.00 0.00 175.76 176.43 1ux2 s ARG 104 N -3.84 3.86 -0.12 0.00 6.06 0.01 -0.39 118.95 124.52 1ux2 s ARG 104 Ca 0.36 -0.40 0.03 0.00 -2.50 0.00 0.00 55.73 53.22 1ux2 s ARG 104 Cb -0.05 -3.16 0.00 0.00 0.06 0.00 0.00 34.95 31.80 1ux2 s ARG 104 CO 0.23 0.21 -0.22 0.08 -2.50 0.00 0.00 175.30 173.10 1ux2 s VAL 105 N 0.52 2.13 0.13 7.11 1.01 0.14 -0.21 120.40 131.22 1ux2 s VAL 105 Ca 0.02 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 1ux2 s VAL 105 Cb -0.13 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1ux2 s VAL 105 CO 0.01 0.55 0.36 -0.69 0.00 0.00 0.00 175.10 175.34 1ux2 s VAL 106 N 0.60 5.18 -0.18 2.92 1.01 -0.05 -1.23 120.40 128.64 1ux2 s VAL 106 Ca -0.12 0.04 0.18 0.00 0.00 0.00 0.00 61.98 62.08 1ux2 s VAL 106 Cb -0.17 -3.62 0.18 0.00 0.00 0.00 0.00 36.38 32.77 1ux2 s VAL 106 CO 0.03 0.08 1.51 -1.54 0.00 0.00 0.00 175.10 175.18 1ux2 n SER 107 N 0.20 0.46 -0.73 3.32 3.41 0.11 -0.50 113.62 119.89 1ux2 n SER 107 Ca -0.03 0.68 0.11 0.00 -0.26 0.00 0.00 58.87 59.37 1ux2 n SER 107 Cb 0.52 -0.72 0.31 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.15 2.19 0.00 4.04 5.75 -1.26 -1.60 116.55 123.53 1ux2 n ASP 108 Ca -0.01 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1ux2 n ASP 108 Cb 0.11 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 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 1.23 0.84 3.73 6.12 0.00 0.34 -4.74 105.19 112.72 1ux2 n GLY 109 Ca 0.17 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1ux2 n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ux2 s GLU 110 N -0.68 4.51 -0.08 1.61 2.56 -1.22 0.58 118.70 125.98 1ux2 s GLU 110 Ca 0.00 1.11 0.02 0.00 0.00 0.00 0.00 54.97 56.10 1ux2 s GLU 110 Cb 0.00 -3.39 -0.02 0.00 2.00 0.00 0.00 34.13 32.72 1ux2 s GLU 110 CO 0.00 0.21 -0.15 0.08 -0.56 0.00 0.00 175.26 174.84 1ux2 s VAL 111 N 0.20 2.97 -0.25 3.70 1.01 0.97 -0.87 120.40 128.13 1ux2 s VAL 111 Ca 0.41 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1ux2 s VAL 111 Cb -0.20 -2.19 0.07 0.00 0.00 0.00 0.00 36.38 34.06 1ux2 s VAL 111 CO 0.23 0.57 -0.02 -0.76 0.00 0.00 0.00 175.10 175.12 1ux2 s LEU 112 N -0.29 2.58 -0.21 3.92 1.43 0.70 -2.10 118.68 124.71 1ux2 s LEU 112 Ca 0.02 -1.28 0.02 0.00 -1.03 0.00 0.00 54.13 51.86 1ux2 s LEU 112 Cb -0.13 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 45.00 1ux2 s LEU 112 CO 0.03 -0.28 -0.16 -0.47 0.23 0.00 0.00 176.35 175.70 1ux2 s TYR 113 N 1.42 2.97 -0.57 0.29 5.04 0.62 -0.81 117.35 126.32 1ux2 s TYR 113 Ca -0.02 -1.89 0.06 0.00 -2.44 0.00 0.00 57.07 52.78 1ux2 s TYR 113 Cb -0.19 -1.93 0.20 0.00 0.35 0.00 0.00 41.96 40.40 1ux2 s TYR 113 CO -0.09 -0.83 0.53 -0.12 -1.34 0.00 0.00 175.55 173.70 1ux2 n MET 114 N 4.55 1.43 -2.25 4.97 0.00 -1.26 -0.74 117.12 123.83 1ux2 n MET 114 Ca -0.18 -4.01 -0.37 0.00 -0.00 0.00 0.00 57.70 53.14 1ux2 n MET 114 Cb 0.47 -1.95 -0.01 0.00 0.00 0.00 0.00 33.22 31.74 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 -1.33 3.66 -0.12 2.12 0.04 -1.25 -4.76 135.00 133.37 1ux2 s PRO 115 Ca 0.32 1.75 -0.20 0.00 0.04 0.00 0.00 61.00 62.92 1ux2 s PRO 115 Cb 0.06 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1ux2 s PRO 115 CO -0.13 -0.63 0.57 0.45 0.04 0.00 0.00 177.00 177.30 1ux2 s SER 116 N -1.43 6.77 -0.03 6.66 0.15 -1.26 -1.55 113.70 123.00 1ux2 s SER 116 Ca 0.66 0.92 0.04 0.00 0.70 0.00 0.00 55.95 58.27 1ux2 s SER 116 Cb -0.28 -2.33 -0.01 0.00 -1.71 0.00 0.00 66.02 61.69 1ux2 s SER 116 CO 0.33 -0.08 -0.16 -0.63 1.20 0.00 0.00 173.24 173.90 1ux2 s ILE 117 N 0.93 1.31 -0.17 6.45 1.01 0.49 0.23 121.20 131.45 1ux2 s ILE 117 Ca 0.30 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 1ux2 s ILE 117 Cb -0.16 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 1ux2 s ILE 117 CO 0.13 0.38 0.01 -0.60 0.00 0.00 0.00 174.94 174.85 1ux2 s ARG 118 N -0.08 3.79 -0.07 2.79 3.52 0.74 -1.35 118.95 128.30 1ux2 s ARG 118 Ca -0.00 -0.45 -0.21 0.00 -0.13 0.00 0.00 55.73 54.94 1ux2 s ARG 118 Cb -0.10 -3.05 0.05 0.00 -1.56 0.00 0.00 34.95 30.29 1ux2 s ARG 118 CO 0.01 0.24 0.48 -1.14 -0.81 0.00 0.00 175.30 174.08 1ux2 s GLN 119 N 0.41 0.78 0.01 5.12 0.74 -0.76 -1.33 119.66 124.63 1ux2 s GLN 119 Ca -0.01 0.17 -0.02 0.00 0.05 0.00 0.00 55.36 55.56 1ux2 s GLN 119 Cb -0.13 0.36 -0.04 0.00 1.10 0.00 0.00 33.01 34.30 1ux2 s GLN 119 CO 0.02 -0.21 0.18 1.03 -0.55 0.00 0.00 175.29 175.76 1ux2 s ARG 120 N -0.90 3.39 0.04 1.67 0.52 -1.26 -1.72 118.95 120.70 1ux2 s ARG 120 Ca -0.09 -0.37 0.03 0.00 -0.52 0.00 0.00 55.73 54.77 1ux2 s ARG 120 Cb -0.03 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 32.36 1ux2 s ARG 120 CO 0.05 0.66 -0.09 -0.06 0.02 0.00 0.00 175.30 175.88 1ux2 s PHE 121 N -1.36 0.77 -0.33 -0.53 0.08 0.33 -1.31 117.98 115.64 1ux2 s PHE 121 Ca 0.29 -0.43 -0.15 0.00 0.12 0.00 0.00 56.93 56.76 1ux2 s PHE 121 Cb -0.13 -0.46 -0.02 0.00 -0.57 0.00 0.00 43.02 41.85 1ux2 s PHE 121 CO 0.20 -0.04 0.34 0.45 -0.10 0.00 0.00 175.22 176.07 1ux2 s SER 122 N -1.38 6.16 0.33 1.36 0.15 -0.62 -1.08 113.70 118.62 1ux2 s SER 122 Ca -0.06 -0.18 -0.18 0.00 0.70 0.00 0.00 55.95 56.22 1ux2 s SER 122 Cb -0.09 -2.19 0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1ux2 s SER 122 CO 0.01 -0.29 0.78 0.00 1.20 0.00 0.00 173.24 174.94 1ux2 s ASP 124 N -3.03 6.02 0.00 0.00 -1.08 -1.26 -4.34 116.67 112.98 1ux2 s ASP 124 Ca 0.14 1.27 0.18 0.00 -0.52 0.00 0.00 52.55 53.62 1ux2 s ASP 124 Cb -0.05 -2.53 0.02 0.00 -1.46 0.00 0.00 42.92 38.90 1ux2 s ASP 124 CO 0.09 -1.61 0.93 0.52 0.52 0.00 0.00 175.17 175.62 1ux2 n VAL 125 N 7.26 0.00 -1.76 1.11 0.31 -1.26 -3.80 118.33 120.19 1ux2 n VAL 125 Ca 0.21 -0.35 -0.41 0.00 -0.01 0.00 0.00 64.34 63.78 1ux2 n VAL 125 Cb 0.47 1.23 -0.01 0.00 -0.91 0.00 0.00 33.84 34.61 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 0.06 3.88 0.00 4.52 3.41 -1.26 -2.24 113.62 122.00 1ux2 n SER 126 Ca 0.08 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.85 1ux2 n SER 126 Cb 0.38 -1.61 0.00 0.00 -0.26 0.00 0.00 64.21 62.72 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 1.72 0.79 0.38 5.00 0.00 -1.26 -4.17 105.19 107.65 1ux2 n GLY 127 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 0.80 -0.94 1.61 3.04 -1.66 -1.13 116.25 117.98 1ux2 h VAL 128 Ca 0.00 -0.17 -0.45 0.00 -1.01 0.00 0.00 66.70 65.06 1ux2 h VAL 128 Cb 0.00 0.25 -0.27 0.00 -2.01 0.00 0.00 31.29 29.26 1ux2 h VAL 128 CO 0.00 0.09 0.57 -0.67 -1.01 0.00 0.00 177.57 176.55 1ux2 n ASP 129 N -4.51 3.93 -4.69 3.17 2.03 -1.26 -1.28 116.55 113.95 1ux2 n ASP 129 Ca 0.16 -3.54 -0.26 0.00 0.52 0.00 0.00 54.79 51.66 1ux2 n ASP 129 Cb 0.52 -0.82 -0.09 0.00 -0.72 0.00 0.00 41.12 40.01 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 -3.24 2.12 0.27 5.18 -4.23 -0.43 -4.98 115.64 110.32 1ux2 s THR 130 Ca 0.56 -1.84 -0.01 0.00 -1.18 0.00 0.00 61.69 59.22 1ux2 s THR 130 Cb 0.47 -2.95 0.12 0.00 1.34 0.00 0.00 72.50 71.48 1ux2 s THR 130 CO 0.11 0.00 1.77 -0.33 -0.54 0.00 0.00 174.62 175.63 1ux2 h GLU 131 N 1.56 0.77 -0.02 3.99 5.08 -1.91 -2.64 114.58 121.42 1ux2 h GLU 131 Ca -0.43 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 57.63 1ux2 h GLU 131 Cb 1.25 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1ux2 h GLU 131 CO 0.75 0.78 -0.43 0.77 -1.00 0.00 0.00 179.01 179.88 1ux2 h SER 132 N 0.72 0.04 -4.05 1.42 0.02 -1.96 -3.49 113.55 106.24 1ux2 h SER 132 Ca 0.14 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1ux2 h SER 132 Cb 0.44 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1ux2 h SER 132 CO 0.02 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.79 1ux2 n GLY 133 N -0.27 -1.26 3.92 -3.77 0.00 -1.00 -4.82 105.19 97.98 1ux2 n GLY 133 Ca -0.02 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.15 3.78 -0.32 4.61 0.00 0.60 -4.41 121.76 124.87 1ux2 s ALA 134 Ca 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1ux2 s ALA 134 Cb 0.00 -2.08 0.09 0.00 0.00 0.00 0.00 23.12 21.13 1ux2 s ALA 134 CO 0.00 0.45 0.01 0.99 0.00 0.00 0.00 175.76 177.20 1ux2 s THR 135 N -1.87 2.37 -0.28 0.00 2.01 -1.25 -1.18 115.64 115.44 1ux2 s THR 135 Ca 0.40 -2.05 -0.13 0.00 0.31 0.00 0.00 61.69 60.22 1ux2 s THR 135 Cb -0.11 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 1ux2 s THR 135 CO 0.28 -0.40 0.29 0.00 -0.69 0.00 0.00 174.62 174.11 1ux2 s ARG 137 N 1.93 4.04 -0.18 0.00 0.52 -1.26 -0.27 118.95 123.73 1ux2 s ARG 137 Ca 0.11 -0.29 -0.01 0.00 -0.52 0.00 0.00 55.73 55.02 1ux2 s ARG 137 Cb -0.16 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 31.87 1ux2 s ARG 137 CO 0.11 0.12 -0.13 0.42 0.02 0.00 0.00 175.30 175.83 1ux2 s ILE 138 N 0.87 2.76 -0.25 1.52 1.01 0.20 -4.86 121.20 122.45 1ux2 s ILE 138 Ca 0.07 -0.72 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 1ux2 s ILE 138 Cb -0.13 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1ux2 s ILE 138 CO 0.03 0.49 0.12 -0.54 0.00 0.00 0.00 174.94 175.04 1ux2 s LYS 139 N 1.15 3.84 -0.13 2.79 1.02 -1.26 -0.45 119.74 126.70 1ux2 s LYS 139 Ca 0.01 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.64 1ux2 s LYS 139 Cb -0.14 -3.44 0.01 0.00 -0.52 0.00 0.00 37.83 33.74 1ux2 s LYS 139 CO -0.05 -0.09 -0.21 0.42 -0.92 0.00 0.00 175.35 174.50 1ux2 s ILE 140 N 1.43 1.94 0.31 2.17 1.01 -0.28 0.14 121.20 127.91 1ux2 s ILE 140 Ca 0.06 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.72 1ux2 s ILE 140 Cb -0.15 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.61 1ux2 s ILE 140 CO 0.06 0.53 0.51 -0.83 0.00 0.00 0.00 174.94 175.20 1ux2 s GLY 141 N 0.83 0.99 0.20 6.18 0.00 -0.80 -0.82 107.32 113.89 1ux2 s GLY 141 Ca -0.08 -1.18 -0.31 0.00 0.00 0.00 0.00 44.72 43.15 1ux2 s GLY 141 CO -0.01 -0.78 1.45 -0.45 0.00 0.00 0.00 173.10 173.31 1ux2 s SER 142 N -3.13 6.69 0.23 1.64 0.15 -1.26 -0.35 113.70 117.67 1ux2 s SER 142 Ca 0.26 2.56 0.00 0.00 0.70 0.00 0.00 55.95 59.47 1ux2 s SER 142 Cb -0.01 -2.61 0.23 0.00 -1.71 0.00 0.00 66.02 61.92 1ux2 s SER 142 CO 0.15 -0.71 1.58 -0.25 1.20 0.00 0.00 173.24 175.20 1ux2 h TRP 143 N 5.90 0.55 0.00 3.44 2.91 -1.25 -3.39 115.95 124.12 1ux2 h TRP 143 Ca -0.44 -0.18 0.00 0.00 1.13 0.00 0.00 58.89 59.40 1ux2 h TRP 143 Cb 1.21 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 1ux2 h TRP 143 CO 0.63 0.85 0.00 0.25 -1.03 0.00 0.00 178.44 179.14 1ux2 n THR 144 N -3.98 0.00 -4.09 2.65 -2.24 -1.26 -5.02 114.28 100.33 1ux2 n THR 144 Ca -0.02 -0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.14 1ux2 n THR 144 Cb 0.55 1.21 -0.13 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.30 2.98 0.61 4.78 3.76 -1.26 -5.11 115.29 120.75 1ux2 s HIS 145 Ca 0.00 -0.68 -0.08 0.00 -0.15 0.00 0.00 55.06 54.14 1ux2 s HIS 145 Cb 0.00 -2.06 0.14 0.00 1.11 0.00 0.00 32.58 31.76 1ux2 s HIS 145 CO 0.00 -0.37 0.83 -2.39 -0.85 0.00 0.00 174.74 171.96 1ux2 n HIS 146 N 4.38 -3.79 0.29 1.40 1.44 -1.26 -4.48 115.22 113.20 1ux2 n HIS 146 Ca -0.18 -0.86 0.16 0.00 -2.01 0.00 0.00 57.72 54.83 1ux2 n HIS 146 Cb 0.51 -0.63 0.88 0.00 0.12 0.00 0.00 29.99 30.88 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 -0.98 0.00 1.10 4.39 4.64 -0.50 0.56 113.55 122.76 1ux2 h SER 147 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1ux2 h SER 147 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1ux2 h SER 147 CO 0.21 0.05 0.00 0.54 -0.87 0.00 0.00 176.83 176.76 1ux2 n ARG 148 N -3.52 0.08 -0.04 4.77 1.74 -1.26 -4.21 116.66 114.23 1ux2 n ARG 148 Ca -0.02 0.09 -0.06 0.00 -0.77 0.00 0.00 57.85 57.09 1ux2 n ARG 148 Cb 0.17 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 29.98 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 -1.74 0.19 -4.02 5.56 1.02 0.01 -2.96 120.64 118.71 1ux2 n GLU 149 Ca 0.06 0.05 -0.25 0.00 -0.02 0.00 0.00 57.16 57.00 1ux2 n GLU 149 Cb 0.35 -1.08 -0.17 0.00 -0.02 0.00 0.00 31.44 30.52 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 -2.15 0.91 0.00 -3.67 1.01 -0.18 -0.56 121.20 116.56 1ux2 s ILE 150 Ca -0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 1ux2 s ILE 150 Cb 0.03 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 1ux2 s ILE 150 CO 0.17 0.34 0.12 -0.94 0.00 0.00 0.00 174.94 174.63 1ux2 s SER 151 N 1.51 5.91 -0.21 3.58 1.04 -0.42 -4.10 113.70 121.02 1ux2 s SER 151 Ca 0.01 0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.65 1ux2 s SER 151 Cb -0.13 -1.75 0.04 0.00 0.10 0.00 0.00 66.02 64.28 1ux2 s SER 151 CO -0.05 0.26 -0.13 -0.69 0.98 0.00 0.00 173.24 173.60 1ux2 s VAL 152 N -1.26 1.92 -0.27 5.02 1.01 -1.26 -1.07 120.40 124.48 1ux2 s VAL 152 Ca 0.25 -1.17 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1ux2 s VAL 152 Cb -0.12 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1ux2 s VAL 152 CO 0.17 0.23 0.41 -0.62 0.00 0.00 0.00 175.10 175.28 1ux2 s ASP 153 N 1.28 6.29 -0.01 3.32 3.68 0.17 -4.75 116.67 126.65 1ux2 s ASP 153 Ca -0.02 0.31 -0.27 0.00 2.13 0.00 0.00 52.55 54.70 1ux2 s ASP 153 Cb -0.16 -2.23 -0.04 0.00 -1.45 0.00 0.00 42.92 39.04 1ux2 s ASP 153 CO -0.09 -0.22 0.86 -2.16 0.13 0.00 0.00 175.17 173.69 1ux2 s PRO 154 N 2.13 4.52 -0.07 4.34 0.04 -1.26 -2.07 135.00 142.63 1ux2 s PRO 154 Ca 0.16 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.39 1ux2 s PRO 154 Cb -0.16 -3.44 0.03 0.00 0.04 0.00 0.00 34.50 30.97 1ux2 s PRO 154 CO 0.10 0.04 -0.00 0.99 0.04 0.00 0.00 177.00 178.16 1ux2 s THR 155 N 0.78 0.41 -0.22 1.26 2.01 -1.24 -4.99 115.64 113.65 1ux2 s THR 155 Ca 0.45 0.09 -0.13 0.00 0.31 0.00 0.00 61.69 62.42 1ux2 s THR 155 Cb -0.20 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 1ux2 s THR 155 CO 0.24 0.26 0.25 -0.89 -0.69 0.00 0.00 174.62 173.79 1ux2 s THR 156 N 1.86 5.30 0.00 -0.82 2.01 -1.26 -4.66 115.64 118.07 1ux2 s THR 156 Ca 0.03 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.43 1ux2 s THR 156 Cb -0.12 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.80 1ux2 s THR 156 CO -0.05 0.32 0.00 -0.62 -0.69 0.00 0.00 174.62 173.58 1ux2 n GLU 157 N 4.25 0.00 -1.81 4.92 4.71 -1.26 -5.03 120.64 126.42 1ux2 n GLU 157 Ca -0.12 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.73 1ux2 n GLU 157 Cb 0.52 0.00 0.13 0.00 -1.01 0.00 0.00 31.44 31.08 1ux2 n GLU 157 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1ux2 s ASN 158 N -1.29 3.74 0.00 1.62 0.01 -1.26 -5.08 114.94 112.68 1ux2 s ASN 158 Ca 0.00 0.65 0.00 0.00 -0.71 0.00 0.00 52.86 52.80 1ux2 s ASN 158 Cb 0.00 -1.01 0.00 0.00 0.41 0.00 0.00 41.25 40.65 1ux2 s ASN 158 CO 0.00 -2.38 0.00 -1.54 -1.51 0.00 0.00 177.10 171.67 1ux2 n SER 159 N -3.60 0.00 -2.83 -1.22 3.41 -1.26 -4.85 113.62 103.27 1ux2 n SER 159 Ca 0.10 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.67 1ux2 n SER 159 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1ux2 n SER 159 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ux2 n ASP 160 N 0.00 -7.83 0.09 4.04 2.03 -1.26 -4.82 116.55 108.80 1ux2 n ASP 160 Ca 0.00 1.02 0.08 0.00 0.52 0.00 0.00 54.79 56.41 1ux2 n ASP 160 Cb 0.00 -4.96 0.39 0.00 -0.72 0.00 0.00 41.12 35.82 1ux2 n ASP 160 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ux2 n ASP 161 N 0.39 0.37 -0.48 1.67 8.00 -1.26 -2.14 116.55 123.09 1ux2 n ASP 161 Ca 0.04 0.63 0.05 0.00 0.71 0.00 0.00 54.79 56.21 1ux2 n ASP 161 Cb 0.21 -0.69 0.09 0.00 -0.02 0.00 0.00 41.12 40.71 1ux2 n ASP 161 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ux2 n SER 162 N -1.95 2.35 -0.19 -2.24 7.64 -1.26 -4.70 113.62 113.27 1ux2 n SER 162 Ca 0.01 -1.72 -0.02 0.00 1.01 0.00 0.00 58.87 58.14 1ux2 n SER 162 Cb 0.12 -0.11 0.05 0.00 -1.01 0.00 0.00 64.21 63.25 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 1.85 -0.04 -0.15 1.43 4.81 -1.75 -2.73 114.58 118.00 1ux2 h GLU 163 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ux2 h GLU 163 Cb 0.57 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1ux2 h GLU 163 CO 0.00 -0.03 0.00 0.66 -0.73 0.00 0.00 179.01 178.91 1ux2 n TYR 164 N -5.42 0.18 -2.44 0.92 4.01 -1.26 -4.99 117.16 108.16 1ux2 n TYR 164 Ca 0.06 -0.16 -0.41 0.00 -0.16 0.00 0.00 57.90 57.23 1ux2 n TYR 164 Cb 0.32 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.31 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 -1.08 3.51 0.14 -0.72 5.36 -1.03 -4.54 117.98 119.62 1ux2 s PHE 165 Ca 0.20 1.55 -0.31 0.00 -0.96 0.00 0.00 56.93 57.40 1ux2 s PHE 165 Cb 0.12 -3.35 -0.10 0.00 -0.34 0.00 0.00 43.02 39.35 1ux2 s PHE 165 CO 0.17 -0.86 1.69 0.45 -1.46 0.00 0.00 175.22 175.22 1ux2 s SER 166 N -0.22 6.50 0.09 6.13 0.15 0.98 -4.88 113.70 122.45 1ux2 s SER 166 Ca 0.49 2.68 0.18 0.00 0.70 0.00 0.00 55.95 60.01 1ux2 s SER 166 Cb -0.32 -2.58 0.77 0.00 -1.71 0.00 0.00 66.02 62.19 1ux2 s SER 166 CO 0.38 -0.92 1.58 0.00 1.20 0.00 0.00 173.24 175.47 1ux2 n GLN 167 N 4.82 0.07 0.00 5.44 10.64 -1.26 -3.10 117.38 133.98 1ux2 n GLN 167 Ca 0.16 0.29 0.11 0.00 -1.83 0.00 0.00 57.00 55.73 1ux2 n GLN 167 Cb 0.38 -1.63 -0.01 0.00 -0.86 0.00 0.00 30.24 28.13 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 -1.75 0.00 -1.71 2.61 4.01 -1.26 -4.94 117.16 114.12 1ux2 n TYR 168 Ca 0.03 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.39 1ux2 n TYR 168 Cb 0.21 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.29 1ux2 n TYR 168 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1ux2 n SER 169 N -0.05 2.04 0.22 7.72 2.88 -1.18 -4.89 113.62 120.36 1ux2 n SER 169 Ca 0.09 0.89 0.16 0.00 -1.33 0.00 0.00 58.87 58.68 1ux2 n SER 169 Cb 0.47 -1.52 0.71 0.00 -0.75 0.00 0.00 64.21 63.11 1ux2 n SER 169 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ux2 h ARG 170 N 0.94 0.00 -6.19 -1.46 3.08 -1.92 -3.45 114.38 105.37 1ux2 h ARG 170 Ca -0.50 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 58.99 1ux2 h ARG 170 Cb 1.33 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.29 1ux2 h ARG 170 CO 0.54 0.00 -0.64 -0.06 -1.07 0.00 0.00 179.97 178.75 1ux2 s PHE 171 N -3.63 2.69 0.10 3.04 0.08 -1.26 -1.36 117.98 117.64 1ux2 s PHE 171 Ca 0.00 -0.24 0.07 0.00 0.12 0.00 0.00 56.93 56.88 1ux2 s PHE 171 Cb 0.09 -1.23 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 1ux2 s PHE 171 CO 0.41 0.60 -0.17 -1.83 -0.10 0.00 0.00 175.22 174.12 1ux2 s GLU 172 N -3.69 1.01 -0.13 0.44 -1.05 0.18 -4.83 118.70 110.63 1ux2 s GLU 172 Ca 0.32 -1.11 -0.20 0.00 -0.15 0.00 0.00 54.97 53.83 1ux2 s GLU 172 Cb -0.06 -1.11 -0.04 0.00 -0.44 0.00 0.00 34.13 32.48 1ux2 s GLU 172 CO 0.20 0.25 0.54 0.42 0.95 0.00 0.00 175.26 177.62 1ux2 s ILE 173 N -1.39 5.13 -0.13 1.83 1.01 -1.26 -1.58 121.20 124.81 1ux2 s ILE 173 Ca 0.04 1.07 -0.03 0.00 0.00 0.00 0.00 60.65 61.73 1ux2 s ILE 173 Cb -0.09 -3.88 -0.25 0.00 0.01 0.00 0.00 42.46 38.26 1ux2 s ILE 173 CO 0.03 0.27 0.30 0.18 0.00 0.00 0.00 174.94 175.73 1ux2 n LEU 174 N 3.98 2.48 -3.63 2.97 4.77 0.57 -4.92 117.00 123.23 1ux2 n LEU 174 Ca -0.05 0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 1ux2 n LEU 174 Cb 0.51 -0.94 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 1ux2 n LEU 174 CO 0.44 0.82 0.71 -0.62 -1.33 0.00 0.00 177.39 177.41 1ux2 s ASP 175 N -6.85 -0.47 -0.10 -1.43 -1.08 -1.06 -5.02 116.67 100.65 1ux2 s ASP 175 Ca -0.22 0.84 -0.00 0.00 -0.52 0.00 0.00 52.55 52.65 1ux2 s ASP 175 Cb 0.07 0.83 0.02 0.00 -1.46 0.00 0.00 42.92 42.39 1ux2 s ASP 175 CO 0.75 -0.20 -0.07 -0.69 0.52 0.00 0.00 175.17 175.48 1ux2 s VAL 176 N 0.01 0.95 0.15 1.11 1.01 -1.26 -1.32 120.40 121.05 1ux2 s VAL 176 Ca 0.02 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1ux2 s VAL 176 Cb -0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1ux2 s VAL 176 CO -0.04 0.35 -0.16 0.42 0.00 0.00 0.00 175.10 175.67 1ux2 s THR 177 N 1.66 1.59 -0.01 3.92 -4.23 -0.93 -4.99 115.64 112.65 1ux2 s THR 177 Ca 0.04 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1ux2 s THR 177 Cb -0.13 -1.73 -0.01 0.00 1.34 0.00 0.00 72.50 71.98 1ux2 s THR 177 CO -0.07 -0.39 -0.12 -1.10 -0.54 0.00 0.00 174.62 172.40 1ux2 s GLN 178 N -2.83 0.96 0.05 3.99 -0.21 -1.26 -0.62 119.66 119.74 1ux2 s GLN 178 Ca 0.13 -0.42 -0.01 0.00 0.02 0.00 0.00 55.36 55.09 1ux2 s GLN 178 Cb -0.05 -0.93 -0.04 0.00 1.00 0.00 0.00 33.01 32.99 1ux2 s GLN 178 CO 0.05 0.25 -0.03 -1.59 -2.12 0.00 0.00 175.29 171.84 1ux2 s LYS 179 N -0.26 0.61 -0.24 2.91 -2.85 -0.31 -4.92 119.74 114.69 1ux2 s LYS 179 Ca 0.04 -1.17 -0.07 0.00 -1.00 0.00 0.00 55.97 53.77 1ux2 s LYS 179 Cb -0.05 0.15 -0.03 0.00 -2.06 0.00 0.00 37.83 35.84 1ux2 s LYS 179 CO -0.00 -0.09 0.07 0.21 0.10 0.00 0.00 175.35 175.63 1ux2 s LYS 180 N -3.66 3.71 0.10 1.78 2.36 -1.26 -0.53 119.74 122.25 1ux2 s LYS 180 Ca 0.05 -0.45 0.05 0.00 -2.55 0.00 0.00 55.97 53.07 1ux2 s LYS 180 Cb 0.06 -3.31 -0.04 0.00 -1.05 0.00 0.00 37.83 33.49 1ux2 s LYS 180 CO -0.08 -0.11 -0.00 -0.80 1.55 0.00 0.00 175.35 175.91 1ux2 s ASN 181 N 1.40 4.97 -0.21 1.43 0.01 -0.35 -5.00 114.94 117.19 1ux2 s ASN 181 Ca 0.05 -0.21 -0.04 0.00 -0.71 0.00 0.00 52.86 51.95 1ux2 s ASN 181 Cb -0.15 -1.16 0.07 0.00 0.41 0.00 0.00 41.25 40.42 1ux2 s ASN 181 CO 0.04 0.16 0.08 -0.55 -1.51 0.00 0.00 177.10 175.32 1ux2 s SER 182 N -2.40 2.92 -0.01 -1.22 0.15 -1.26 -0.79 113.70 111.09 1ux2 s SER 182 Ca 0.26 -0.91 0.08 0.00 0.70 0.00 0.00 55.95 56.07 1ux2 s SER 182 Cb -0.11 -0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 63.74 1ux2 s SER 182 CO 0.18 -0.36 -0.25 -0.69 1.20 0.00 0.00 173.24 173.32 1ux2 s VAL 183 N 1.99 1.96 -0.35 4.45 1.01 -0.61 -4.88 120.40 123.98 1ux2 s VAL 183 Ca 0.03 -1.10 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 1ux2 s VAL 183 Cb -0.16 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1ux2 s VAL 183 CO -0.16 0.52 0.18 -0.89 0.00 0.00 0.00 175.10 174.75 1ux2 s THR 184 N -0.62 4.53 0.47 3.92 2.01 -1.26 -0.54 115.64 124.16 1ux2 s THR 184 Ca 0.10 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.44 1ux2 s THR 184 Cb -0.10 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 68.98 1ux2 s THR 184 CO -0.00 -0.12 0.65 -0.31 -0.69 0.00 0.00 174.62 174.15 1ux2 s TYR 185 N 1.57 2.87 0.26 4.92 2.02 -1.26 -5.03 117.35 122.70 1ux2 s TYR 185 Ca 0.03 -0.20 -0.03 0.00 -0.37 0.00 0.00 57.07 56.50 1ux2 s TYR 185 Cb -0.18 -2.51 0.33 0.00 -0.40 0.00 0.00 41.96 39.20 1ux2 s TYR 185 CO 0.06 -0.58 1.83 0.77 -1.57 0.00 0.00 175.55 176.06 1ux2 h SER 186 N 0.41 0.91 -0.80 2.29 0.02 -1.99 -3.14 113.55 111.25 1ux2 h SER 186 Ca -0.42 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.40 1ux2 h SER 186 Cb 1.28 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.55 1ux2 h SER 186 CO 0.49 0.82 0.52 0.00 -1.14 0.00 0.00 176.83 177.52 1ux2 n PRO 189 N 2.35 1.09 -4.65 0.00 -0.04 -1.26 -4.41 135.00 128.07 1ux2 n PRO 189 Ca -0.16 -0.13 -0.29 0.00 -0.04 0.00 0.00 63.50 62.88 1ux2 n PRO 189 Cb 0.56 -1.33 -0.10 0.00 -0.04 0.00 0.00 33.50 32.58 1ux2 n PRO 189 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ux2 s GLU 190 N -1.98 2.02 -0.11 0.54 0.41 -1.26 -5.09 118.70 113.23 1ux2 s GLU 190 Ca 0.31 -2.20 -0.09 0.00 -0.41 0.00 0.00 54.97 52.58 1ux2 s GLU 190 Cb 0.15 -1.50 -0.04 0.00 -1.78 0.00 0.00 34.13 30.95 1ux2 s GLU 190 CO 0.24 -0.19 0.20 0.00 -0.49 0.00 0.00 175.26 175.03 1ux2 s ALA 191 N -2.83 3.81 -0.13 5.21 0.00 -1.26 -4.41 121.76 122.15 1ux2 s ALA 191 Ca 0.24 -0.56 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 1ux2 s ALA 191 Cb 0.07 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.08 1ux2 s ALA 191 CO 0.12 0.52 -0.13 0.71 0.00 0.00 0.00 175.76 176.98 1ux2 s TYR 192 N -0.81 2.81 0.19 0.00 2.02 0.30 0.09 117.35 121.95 1ux2 s TYR 192 Ca 0.16 -0.65 -0.17 0.00 -0.37 0.00 0.00 57.07 56.04 1ux2 s TYR 192 Cb -0.13 -1.85 -0.08 0.00 -0.40 0.00 0.00 41.96 39.51 1ux2 s TYR 192 CO 0.05 -0.22 0.64 -1.21 -1.57 0.00 0.00 175.55 173.24 1ux2 s GLU 193 N 0.36 4.11 0.05 -0.62 2.02 -1.26 -1.57 118.70 121.79 1ux2 s GLU 193 Ca -0.11 0.68 -0.03 0.00 0.02 0.00 0.00 54.97 55.53 1ux2 s GLU 193 Cb -0.16 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 1ux2 s GLU 193 CO 0.06 0.43 0.03 0.16 0.02 0.00 0.00 175.26 175.95 1ux2 s ASP 194 N -1.70 0.35 -0.23 -0.19 -4.77 0.03 -4.03 116.67 106.14 1ux2 s ASP 194 Ca 0.41 -0.81 -0.09 0.00 -3.30 0.00 0.00 52.55 48.75 1ux2 s ASP 194 Cb -0.16 0.22 -0.04 0.00 -1.09 0.00 0.00 42.92 41.85 1ux2 s ASP 194 CO 0.20 -0.58 0.12 -0.69 0.70 0.00 0.00 175.17 174.92 1ux2 s VAL 195 N -3.45 5.05 -0.31 2.11 1.01 0.00 -1.21 120.40 123.60 1ux2 s VAL 195 Ca 0.02 0.07 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 1ux2 s VAL 195 Cb 0.04 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1ux2 s VAL 195 CO -0.08 0.37 0.26 -0.70 0.00 0.00 0.00 175.10 174.94 1ux2 s GLU 196 N 0.99 3.72 -0.30 2.72 2.12 0.31 -1.12 118.70 127.13 1ux2 s GLU 196 Ca 0.06 -0.42 -0.13 0.00 0.36 0.00 0.00 54.97 54.84 1ux2 s GLU 196 Cb -0.14 -3.74 -0.03 0.00 0.26 0.00 0.00 34.13 30.48 1ux2 s GLU 196 CO 0.04 -0.35 0.26 0.08 -0.54 0.00 0.00 175.26 174.75 1ux2 s VAL 197 N 1.82 5.26 -0.34 3.70 1.01 0.41 -1.16 120.40 131.09 1ux2 s VAL 197 Ca 0.08 0.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.06 1ux2 s VAL 197 Cb -0.17 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1ux2 s VAL 197 CO 0.11 0.12 0.36 -0.44 0.00 0.00 0.00 175.10 175.25 1ux2 s SER 198 N 1.72 6.17 -0.45 3.32 0.01 0.21 -0.63 113.70 124.06 1ux2 s SER 198 Ca 0.09 -0.25 -0.14 0.00 1.31 0.00 0.00 55.95 56.96 1ux2 s SER 198 Cb -0.16 -2.19 0.07 0.00 0.21 0.00 0.00 66.02 63.94 1ux2 s SER 198 CO 0.11 -0.34 0.35 -0.22 0.41 0.00 0.00 173.24 173.55 1ux2 s LEU 199 N 2.00 5.43 -0.33 2.44 2.96 0.63 -2.19 118.68 129.62 1ux2 s LEU 199 Ca 0.11 -1.29 -0.18 0.00 -0.22 0.00 0.00 54.13 52.55 1ux2 s LEU 199 Cb -0.17 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.38 1ux2 s LEU 199 CO 0.12 -0.59 0.53 0.21 -1.32 0.00 0.00 176.35 175.30 1ux2 s ASN 200 N 2.35 6.35 0.11 3.68 2.47 -0.43 -0.29 114.94 129.17 1ux2 s ASN 200 Ca 0.04 0.10 -0.07 0.00 0.42 0.00 0.00 52.86 53.35 1ux2 s ASN 200 Cb -0.23 -2.28 -0.01 0.00 -1.45 0.00 0.00 41.25 37.28 1ux2 s ASN 200 CO 0.06 -0.46 0.17 0.72 -3.72 0.00 0.00 177.10 173.87 1ux2 s PHE 201 N 2.43 0.34 0.07 0.43 -0.12 -0.33 -0.31 117.98 120.49 1ux2 s PHE 201 Ca 0.20 -0.77 -0.11 0.00 -0.05 0.00 0.00 56.93 56.20 1ux2 s PHE 201 Cb -0.15 -0.15 0.01 0.00 -0.63 0.00 0.00 43.02 42.10 1ux2 s PHE 201 CO 0.13 -0.56 0.25 -0.98 -0.05 0.00 0.00 175.22 174.01 1ux2 s ARG 202 N -3.92 0.84 0.27 1.99 1.70 -0.61 -0.29 118.95 118.92 1ux2 s ARG 202 Ca 0.10 -0.73 -0.30 0.00 -0.47 0.00 0.00 55.73 54.33 1ux2 s ARG 202 Cb 0.05 0.35 -0.10 0.00 -0.57 0.00 0.00 34.95 34.69 1ux2 s ARG 202 CO -0.07 -0.27 1.33 0.21 -1.08 0.00 0.00 175.30 175.42 1ux2 s LYS 203 N -3.25 4.36 0.47 3.89 2.20 -0.40 -0.65 119.74 126.36 1ux2 s LYS 203 Ca 0.00 2.17 -0.23 0.00 -0.36 0.00 0.00 55.97 57.55 1ux2 s LYS 203 Cb 0.02 -3.12 -0.07 0.00 -1.51 0.00 0.00 37.83 33.14 1ux2 s LYS 203 CO -0.08 -0.24 1.23 0.15 -0.36 0.00 0.00 175.35 176.04 1ux2 s LYS 204 N -0.90 3.64 0.00 4.03 1.02 -0.47 -4.84 119.74 122.22 1ux2 s LYS 204 Ca 0.54 1.92 0.27 0.00 0.02 0.00 0.00 55.97 58.72 1ux2 s LYS 204 Cb -0.39 -2.41 0.84 0.00 -0.52 0.00 0.00 37.83 35.34 1ux2 s LYS 204 CO 0.45 -0.69 1.62 0.41 -0.92 0.00 0.00 175.35 176.22