#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fqw s SER 2 N 0.00 5.94 0.08 1.61 0.01 -1.26 -3.71 113.70 116.37 3fqw s SER 2 Ca 0.00 1.40 -0.06 0.00 1.31 0.00 0.00 55.95 58.60 3fqw s SER 2 Cb 0.00 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 3fqw s SER 2 CO 0.00 -1.05 0.11 -1.00 0.41 0.00 0.00 173.24 171.71 3fqw s HIS 3 N -3.19 0.29 0.05 2.43 0.09 -0.32 -4.97 115.29 109.68 3fqw s HIS 3 Ca 0.56 -0.76 -0.05 0.00 -0.00 0.00 0.00 55.06 54.81 3fqw s HIS 3 Cb -0.11 -0.18 -0.01 0.00 -0.00 0.00 0.00 32.58 32.27 3fqw s HIS 3 CO 0.54 -0.49 0.09 -1.54 -0.00 0.00 0.00 174.74 173.34 3fqw s SER 4 N -2.89 0.23 -0.06 1.40 1.04 -1.26 -0.04 113.70 112.12 3fqw s SER 4 Ca 0.06 -0.66 0.04 0.00 0.48 0.00 0.00 55.95 55.87 3fqw s SER 4 Cb 0.06 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3fqw s SER 4 CO -0.10 -0.58 -0.18 -0.32 0.98 0.00 0.00 173.24 173.04 3fqw s MET 5 N -3.16 2.07 0.01 4.02 1.75 -0.49 -0.96 119.30 122.53 3fqw s MET 5 Ca -0.00 -0.65 0.01 0.00 -1.25 0.00 0.00 55.69 53.80 3fqw s MET 5 Cb 0.02 -1.72 -0.01 0.00 2.84 0.00 0.00 34.83 35.97 3fqw s MET 5 CO -0.07 0.20 -0.04 1.03 -0.65 0.00 0.00 175.02 175.49 3fqw s ARG 6 N 0.20 0.30 -0.03 4.11 0.52 -0.33 -1.67 118.95 122.06 3fqw s ARG 6 Ca -0.09 -0.24 0.07 0.00 -0.52 0.00 0.00 55.73 54.95 3fqw s ARG 6 Cb -0.14 -0.23 -0.02 0.00 0.52 0.00 0.00 34.95 35.08 3fqw s ARG 6 CO 0.04 0.06 -0.23 0.71 0.02 0.00 0.00 175.30 175.89 3fqw s TYR 7 N -0.37 2.42 -0.09 -0.53 2.02 0.03 -0.28 117.35 120.55 3fqw s TYR 7 Ca -0.02 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.31 3fqw s TYR 7 Cb -0.03 -1.54 0.01 0.00 -0.40 0.00 0.00 41.96 40.00 3fqw s TYR 7 CO -0.00 -0.01 -0.17 -0.06 -1.57 0.00 0.00 175.55 173.75 3fqw s PHE 8 N -0.60 1.92 -0.07 2.71 0.08 -0.20 -1.83 117.98 119.99 3fqw s PHE 8 Ca 0.09 -0.78 0.03 0.00 0.12 0.00 0.00 56.93 56.38 3fqw s PHE 8 Cb -0.10 -1.35 0.01 0.00 -0.57 0.00 0.00 43.02 41.01 3fqw s PHE 8 CO -0.00 -0.37 -0.14 -0.06 -0.10 0.00 0.00 175.22 174.55 3fqw s PHE 9 N 0.63 1.61 -0.09 0.36 0.08 0.71 -1.39 117.98 119.88 3fqw s PHE 9 Ca -0.14 -0.60 0.02 0.00 0.12 0.00 0.00 56.93 56.32 3fqw s PHE 9 Cb -0.16 -1.16 0.02 0.00 -0.57 0.00 0.00 43.02 41.15 3fqw s PHE 9 CO 0.04 -0.29 -0.13 0.99 -0.10 0.00 0.00 175.22 175.73 3fqw s THR 10 N 0.61 1.27 -0.08 0.64 2.01 -0.25 -0.85 115.64 118.99 3fqw s THR 10 Ca -0.15 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.38 3fqw s THR 10 Cb -0.16 -1.18 -0.00 0.00 0.01 0.00 0.00 72.50 71.17 3fqw s THR 10 CO 0.04 0.39 -0.24 -0.44 -0.69 0.00 0.00 174.62 173.69 3fqw s SER 11 N 0.97 3.05 -0.16 3.53 0.01 -0.09 -1.18 113.70 119.82 3fqw s SER 11 Ca -0.08 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.65 3fqw s SER 11 Cb -0.15 -1.12 0.03 0.00 0.21 0.00 0.00 66.02 64.99 3fqw s SER 11 CO -0.00 0.20 -0.11 -0.69 0.41 0.00 0.00 173.24 173.05 3fqw s VAL 12 N 0.10 1.44 0.50 3.43 1.01 0.13 -1.21 120.40 125.81 3fqw s VAL 12 Ca -0.12 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 3fqw s VAL 12 Cb -0.16 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 3fqw s VAL 12 CO 0.06 0.32 1.20 -0.94 0.00 0.00 0.00 175.10 175.74 3fqw s SER 13 N 1.52 5.84 -0.59 3.32 1.04 -0.44 -1.20 113.70 123.19 3fqw s SER 13 Ca 0.03 2.37 0.04 0.00 0.48 0.00 0.00 55.95 58.87 3fqw s SER 13 Cb -0.14 -2.60 0.16 0.00 0.10 0.00 0.00 66.02 63.54 3fqw s SER 13 CO -0.09 -1.15 0.41 -0.13 0.98 0.00 0.00 173.24 173.26 3fqw s ARG 14 N -2.89 1.91 0.54 4.02 0.52 -1.26 -4.32 118.95 117.47 3fqw s ARG 14 Ca 0.68 -2.85 0.25 0.00 -0.52 0.00 0.00 55.73 53.29 3fqw s ARG 14 Cb -0.30 -2.80 1.41 0.00 0.52 0.00 0.00 34.95 33.78 3fqw s ARG 14 CO 0.35 -1.29 2.01 -1.35 0.02 0.00 0.00 175.30 175.05 3fqw h PRO 15 N 5.67 0.00 -0.41 3.54 0.11 -1.85 -2.74 132.00 136.32 3fqw h PRO 15 Ca 0.14 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.15 3fqw h PRO 15 Cb 0.82 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 3fqw h PRO 15 CO 0.60 0.00 -0.17 0.78 -0.21 0.00 0.00 178.00 179.00 3fqw h GLY 16 N 0.00 0.85 -5.95 -0.55 0.00 -1.91 -3.46 103.07 92.04 3fqw h GLY 16 Ca 0.22 -0.69 0.13 0.00 0.00 0.00 0.00 47.33 47.00 3fqw h GLY 16 CO -0.00 0.63 0.57 -1.60 0.00 0.00 0.00 176.54 176.14 3fqw s ARG 17 N -4.69 0.29 0.82 4.80 3.52 -1.03 -5.17 118.95 117.48 3fqw s ARG 17 Ca -0.09 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 55.92 3fqw s ARG 17 Cb 0.13 0.10 0.00 0.00 -1.56 0.00 0.00 34.95 33.62 3fqw s ARG 17 CO 0.83 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 175.68 3fqw n GLY 18 N 2.74 -1.88 3.98 8.12 0.00 -1.26 -4.83 105.19 112.06 3fqw n GLY 18 Ca -0.15 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.05 3fqw n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fqw s GLU 19 N 0.00 2.75 0.59 1.61 2.02 -1.26 -4.68 118.70 119.73 3fqw s GLU 19 Ca 0.00 -0.91 -0.20 0.00 0.02 0.00 0.00 54.97 53.89 3fqw s GLU 19 Cb 0.00 -2.61 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 3fqw s GLU 19 CO 0.00 -0.45 1.28 -2.14 0.02 0.00 0.00 175.26 173.97 3fqw s PRO 20 N -4.56 2.94 0.18 0.39 0.02 -1.26 -4.49 135.00 128.22 3fqw s PRO 20 Ca 0.54 2.02 -0.30 0.00 0.02 0.00 0.00 61.00 63.29 3fqw s PRO 20 Cb -0.10 -2.03 -0.08 0.00 0.02 0.00 0.00 34.50 32.30 3fqw s PRO 20 CO 0.36 -1.29 1.29 0.50 -0.33 0.00 0.00 177.00 177.54 3fqw s ARG 21 N -3.17 4.40 -0.07 5.54 6.06 -0.34 -4.82 118.95 126.54 3fqw s ARG 21 Ca 0.77 2.01 0.01 0.00 -2.50 0.00 0.00 55.73 56.01 3fqw s ARG 21 Cb -0.36 -3.22 0.02 0.00 0.06 0.00 0.00 34.95 31.46 3fqw s ARG 21 CO 0.40 -0.24 -0.07 0.12 -2.50 0.00 0.00 175.30 173.00 3fqw s PHE 22 N 0.24 1.14 -0.06 5.12 5.36 -1.26 -0.70 117.98 127.83 3fqw s PHE 22 Ca 0.57 -0.45 0.01 0.00 -0.96 0.00 0.00 56.93 56.10 3fqw s PHE 22 Cb -0.35 -0.96 0.02 0.00 -0.34 0.00 0.00 43.02 41.39 3fqw s PHE 22 CO 0.37 -0.33 -0.05 0.42 -1.46 0.00 0.00 175.22 174.17 3fqw s ILE 23 N 1.23 0.63 -0.02 3.12 1.01 -0.33 -0.72 121.20 126.12 3fqw s ILE 23 Ca -0.05 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.52 3fqw s ILE 23 Cb -0.14 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 3fqw s ILE 23 CO -0.02 0.26 -0.21 0.00 0.00 0.00 0.00 174.94 174.97 3fqw s ALA 24 N 1.16 1.73 0.02 9.38 0.00 -0.03 -1.09 121.76 132.94 3fqw s ALA 24 Ca -0.07 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.03 3fqw s ALA 24 Cb -0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 3fqw s ALA 24 CO -0.01 0.41 -0.09 0.14 0.00 0.00 0.00 175.76 176.21 3fqw s VAL 25 N -0.43 0.65 0.01 0.00 -7.23 -0.49 -0.73 120.40 112.18 3fqw s VAL 25 Ca 0.07 -0.75 0.08 0.00 -1.81 0.00 0.00 61.98 59.56 3fqw s VAL 25 Cb -0.09 -0.62 -0.03 0.00 0.56 0.00 0.00 36.38 36.21 3fqw s VAL 25 CO -0.00 -0.10 -0.24 -0.83 -0.31 0.00 0.00 175.10 173.62 3fqw s GLY 26 N -0.94 1.39 0.04 2.32 0.00 -0.77 -1.03 107.32 108.32 3fqw s GLY 26 Ca -0.03 -1.19 0.06 0.00 0.00 0.00 0.00 44.72 43.57 3fqw s GLY 26 CO 0.00 -1.04 -0.17 -0.19 0.00 0.00 0.00 173.10 171.70 3fqw s TYR 27 N -0.75 1.53 -0.20 1.90 1.51 0.62 -0.67 117.35 121.28 3fqw s TYR 27 Ca 0.11 -0.36 -0.02 0.00 -1.01 0.00 0.00 57.07 55.79 3fqw s TYR 27 Cb -0.10 -0.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.83 3fqw s TYR 27 CO 0.01 0.06 -0.08 0.08 -1.11 0.00 0.00 175.55 174.51 3fqw s VAL 28 N -0.79 3.13 0.00 0.71 1.01 -0.14 -1.18 120.40 123.14 3fqw s VAL 28 Ca 0.05 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.44 3fqw s VAL 28 Cb -0.08 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3fqw s VAL 28 CO 0.01 0.46 0.00 0.47 0.00 0.00 0.00 175.10 176.04 3fqw n ASP 29 N 4.52 0.00 -2.02 3.32 8.00 -0.14 -0.84 116.55 129.39 3fqw n ASP 29 Ca -0.19 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.23 3fqw n ASP 29 Cb 0.51 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.90 3fqw n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3fqw n ASP 30 N 3.82 4.70 -4.21 -2.24 8.00 -1.26 -4.88 116.55 120.48 3fqw n ASP 30 Ca 0.00 -3.23 -0.35 0.00 0.71 0.00 0.00 54.79 51.92 3fqw n ASP 30 Cb 0.00 -0.76 -0.14 0.00 -0.02 0.00 0.00 41.12 40.21 3fqw n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3fqw s THR 31 N -2.95 3.04 0.26 -3.53 2.01 -0.02 -5.00 115.64 109.44 3fqw s THR 31 Ca 0.54 -1.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 3fqw s THR 31 Cb 0.44 -2.59 -0.09 0.00 0.01 0.00 0.00 72.50 70.26 3fqw s THR 31 CO 0.13 0.12 1.30 -1.58 -0.69 0.00 0.00 174.62 173.91 3fqw s GLN 32 N 1.33 4.39 0.00 4.92 0.74 -1.26 -0.96 119.66 128.82 3fqw s GLN 32 Ca -0.01 2.11 0.00 0.00 0.05 0.00 0.00 55.36 57.52 3fqw s GLN 32 Cb -0.17 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.79 3fqw s GLN 32 CO -0.03 -0.21 0.00 1.97 -0.55 0.00 0.00 175.29 176.48 3fqw n PHE 33 N 1.85 0.00 -3.97 1.67 -1.74 0.15 -4.35 117.46 111.07 3fqw n PHE 33 Ca 0.03 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.83 3fqw n PHE 33 Cb 0.42 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.34 3fqw n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3fqw s VAL 34 N -1.12 0.12 0.06 1.97 -7.23 -1.21 -0.08 120.40 112.90 3fqw s VAL 34 Ca 0.00 -1.44 -0.19 0.00 -1.81 0.00 0.00 61.98 58.53 3fqw s VAL 34 Cb 0.00 -1.66 0.04 0.00 0.56 0.00 0.00 36.38 35.32 3fqw s VAL 34 CO 0.00 -0.52 0.45 0.00 -0.31 0.00 0.00 175.10 174.72 3fqw s ARG 35 N -3.94 0.99 -0.03 4.82 1.04 -0.61 -1.85 118.95 119.36 3fqw s ARG 35 Ca 0.13 -0.37 0.01 0.00 -1.04 0.00 0.00 55.73 54.46 3fqw s ARG 35 Cb 0.05 0.44 0.02 0.00 -2.04 0.00 0.00 34.95 33.43 3fqw s ARG 35 CO -0.05 -0.35 -0.01 0.12 -0.04 0.00 0.00 175.30 174.97 3fqw s PHE 36 N -2.67 0.38 -0.10 5.89 5.36 0.09 -0.61 117.98 126.31 3fqw s PHE 36 Ca -0.04 -0.04 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 3fqw s PHE 36 Cb -0.00 -0.43 0.02 0.00 -0.34 0.00 0.00 43.02 42.27 3fqw s PHE 36 CO -0.04 -0.13 -0.08 0.34 -1.46 0.00 0.00 175.22 173.85 3fqw s ASP 37 N 0.92 2.09 0.59 6.13 -1.08 -1.26 -0.85 116.67 123.21 3fqw s ASP 37 Ca -0.10 -0.30 0.32 0.00 -0.52 0.00 0.00 52.55 51.95 3fqw s ASP 37 Cb -0.13 -0.83 1.83 0.00 -1.46 0.00 0.00 42.92 42.33 3fqw s ASP 37 CO -0.01 -0.09 2.23 0.77 0.52 0.00 0.00 175.17 178.59 3fqw h SER 38 N 7.96 0.00 1.18 -0.34 4.64 -1.32 -1.09 113.55 124.59 3fqw h SER 38 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3fqw h SER 38 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3fqw h SER 38 CO 0.42 0.03 -0.11 0.47 -0.87 0.00 0.00 176.83 176.77 3fqw n ASP 39 N -3.67 0.52 -4.88 4.97 9.92 -1.26 -4.90 116.55 117.25 3fqw n ASP 39 Ca -0.03 0.44 -0.30 0.00 -0.53 0.00 0.00 54.79 54.37 3fqw n ASP 39 Cb 0.12 -0.51 0.03 0.00 -0.64 0.00 0.00 41.12 40.12 3fqw n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fqw s ALA 40 N -3.07 3.00 0.15 2.24 0.00 -0.41 -5.00 121.76 118.67 3fqw s ALA 40 Ca 0.11 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.78 3fqw s ALA 40 Cb 0.15 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 3fqw s ALA 40 CO 0.60 -0.97 1.35 0.00 0.00 0.00 0.00 175.76 176.74 3fqw h ALA 41 N -0.50 0.47 -0.36 0.00 0.00 -1.90 -3.34 119.26 113.63 3fqw h ALA 41 Ca -0.45 -0.73 -0.11 0.00 0.00 0.00 0.00 54.91 53.62 3fqw h ALA 41 Cb 1.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3fqw h ALA 41 CO 0.63 0.91 -0.22 0.66 0.00 0.00 0.00 179.25 181.23 3fqw h SER 42 N 0.12 0.70 -4.79 0.00 4.64 -1.94 -3.46 113.55 108.82 3fqw h SER 42 Ca -0.05 -0.24 -0.40 0.00 -0.47 0.00 0.00 61.79 60.62 3fqw h SER 42 Cb 1.54 -0.19 0.03 0.00 -0.31 0.00 0.00 62.40 63.48 3fqw h SER 42 CO 0.14 0.91 -0.61 0.00 -0.87 0.00 0.00 176.83 176.40 3fqw n GLN 43 N -4.12 -4.80 -4.17 4.77 1.13 -1.26 -5.00 117.38 103.94 3fqw n GLN 43 Ca 0.00 0.81 -0.14 0.00 -1.94 0.00 0.00 57.00 55.73 3fqw n GLN 43 Cb 0.42 -5.66 -0.11 0.00 0.11 0.00 0.00 30.24 25.00 3fqw n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3fqw s ARG 44 N -5.82 0.83 0.26 -1.09 0.52 -1.26 -5.03 118.95 107.36 3fqw s ARG 44 Ca 0.35 -1.14 -0.30 0.00 -0.52 0.00 0.00 55.73 54.11 3fqw s ARG 44 Cb -0.16 -0.51 -0.11 0.00 0.52 0.00 0.00 34.95 34.69 3fqw s ARG 44 CO 0.43 0.08 1.58 1.41 0.02 0.00 0.00 175.30 178.81 3fqw s MET 45 N -2.76 4.16 0.08 3.54 -2.45 -1.26 -4.66 119.30 115.94 3fqw s MET 45 Ca 0.05 2.51 0.09 0.00 -1.25 0.00 0.00 55.69 57.09 3fqw s MET 45 Cb -0.03 -3.06 -0.03 0.00 1.25 0.00 0.00 34.83 32.96 3fqw s MET 45 CO -0.00 -0.60 -0.24 -1.21 1.05 0.00 0.00 175.02 174.01 3fqw s GLU 46 N -0.14 1.46 0.40 4.11 2.02 0.21 -4.90 118.70 121.87 3fqw s GLU 46 Ca 0.64 -1.14 -0.25 0.00 0.02 0.00 0.00 54.97 54.24 3fqw s GLU 46 Cb -0.47 -1.73 -0.09 0.00 0.10 0.00 0.00 34.13 31.95 3fqw s GLU 46 CO 0.44 0.43 1.12 -1.25 0.02 0.00 0.00 175.26 176.01 3fqw s PRO 47 N -1.57 4.09 0.00 0.39 0.04 -1.26 -1.58 135.00 135.11 3fqw s PRO 47 Ca 0.10 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.85 3fqw s PRO 47 Cb -0.10 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3fqw s PRO 47 CO 0.03 -0.25 0.71 0.54 0.04 0.00 0.00 177.00 178.07 3fqw n ARG 48 N 0.01 1.27 -3.83 4.56 5.12 0.88 -4.85 116.66 119.82 3fqw n ARG 48 Ca 0.05 -0.92 -0.12 0.00 -1.93 0.00 0.00 57.85 54.93 3fqw n ARG 48 Cb 0.48 -0.71 -0.10 0.00 -1.16 0.00 0.00 32.46 30.96 3fqw n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fqw s ALA 49 N -0.42 -0.46 0.31 7.54 0.00 -1.22 -4.68 121.76 122.82 3fqw s ALA 49 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.18 3fqw s ALA 49 Cb 0.00 -0.07 0.54 0.00 0.00 0.00 0.00 23.12 23.60 3fqw s ALA 49 CO 0.00 -0.17 1.93 -1.35 0.00 0.00 0.00 175.76 176.16 3fqw h PRO 50 N 4.81 0.98 0.00 0.00 0.11 -1.96 -2.83 132.00 133.11 3fqw h PRO 50 Ca -0.29 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3fqw h PRO 50 Cb 1.19 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3fqw h PRO 50 CO 0.39 0.65 0.00 -2.67 -0.21 0.00 0.00 178.00 176.16 3fqw n TRP 51 N -4.47 0.75 0.09 0.65 4.27 -1.26 -2.16 117.44 115.30 3fqw n TRP 51 Ca 0.13 0.28 0.09 0.00 -3.89 0.00 0.00 57.50 54.10 3fqw n TRP 51 Cb 0.17 -0.95 -0.02 0.00 -1.36 0.00 0.00 31.31 29.16 3fqw n TRP 51 CO 0.00 0.00 0.00 0.97 -2.29 0.00 0.00 177.69 176.37 3fqw h ILE 52 N 0.00 0.13 0.00 -1.67 6.09 -1.85 -3.39 117.51 116.83 3fqw h ILE 52 Ca 0.00 -1.26 -0.01 0.00 -1.37 0.00 0.00 64.86 62.22 3fqw h ILE 52 Cb 0.42 1.65 -0.00 0.00 0.47 0.00 0.00 36.82 39.36 3fqw h ILE 52 CO 0.00 0.07 -0.05 -0.33 -3.07 0.00 0.00 178.15 174.78 3fqw h GLU 53 N 0.00 0.00 0.00 2.19 5.08 -1.50 -1.03 114.58 119.33 3fqw h GLU 53 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3fqw h GLU 53 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3fqw h GLU 53 CO 0.01 0.05 0.00 -0.56 -1.00 0.00 0.00 179.01 177.51 3fqw h GLN 54 N 0.00 0.00 -6.98 2.33 3.07 -1.75 -3.44 115.11 108.34 3fqw h GLN 54 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 58.20 3fqw h GLN 54 Cb 0.10 0.00 0.11 0.00 0.08 0.00 0.00 27.48 27.77 3fqw h GLN 54 CO 0.01 0.00 0.69 -1.21 0.09 0.00 0.00 178.83 178.41 3fqw s GLU 55 N -3.44 3.77 0.88 0.06 0.41 -0.39 -4.99 118.70 115.00 3fqw s GLU 55 Ca 0.02 2.38 -0.11 0.00 -0.41 0.00 0.00 54.97 56.86 3fqw s GLU 55 Cb 0.09 -2.70 0.19 0.00 -1.78 0.00 0.00 34.13 29.93 3fqw s GLU 55 CO 0.36 -0.74 1.20 0.41 -0.49 0.00 0.00 175.26 176.00 3fqw n GLY 56 N 0.59 -0.73 0.34 -1.39 0.00 -1.26 -4.85 105.19 97.90 3fqw n GLY 56 Ca 0.04 -1.83 0.03 0.00 0.00 0.00 0.00 46.02 44.27 3fqw n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fqw h PRO 57 N 0.00 0.83 -0.88 1.61 0.11 -1.98 -1.60 132.00 130.09 3fqw h PRO 57 Ca -0.39 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3fqw h PRO 57 Cb 1.18 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 3fqw h PRO 57 CO 0.32 0.55 0.49 0.93 -0.21 0.00 0.00 178.00 180.08 3fqw h GLU 58 N 0.85 1.22 0.62 1.05 5.08 -1.99 -0.12 114.58 121.29 3fqw h GLU 58 Ca 0.27 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3fqw h GLU 58 Cb 0.02 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3fqw h GLU 58 CO -0.07 0.88 -0.32 -0.92 -1.00 0.00 0.00 179.01 177.58 3fqw h TYR 59 N 1.22 -0.84 -0.70 4.33 5.03 -1.66 -1.55 116.97 122.80 3fqw h TYR 59 Ca 0.31 -0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.55 3fqw h TYR 59 Cb 0.01 0.28 -0.03 0.00 1.55 0.00 0.00 36.73 38.54 3fqw h TYR 59 CO 0.01 -0.51 0.21 -1.49 -1.32 0.00 0.00 178.16 175.06 3fqw h TRP 60 N -0.87 1.12 -0.12 -3.82 4.06 -1.22 0.39 115.95 115.50 3fqw h TRP 60 Ca -0.08 -0.11 -0.00 0.00 2.06 0.00 0.00 58.89 60.76 3fqw h TRP 60 Cb 0.68 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 3fqw h TRP 60 CO -0.05 0.89 0.06 0.22 -3.56 0.00 0.00 178.44 176.00 3fqw h ASP 61 N 1.04 0.15 -0.56 -3.49 3.58 -1.03 -1.13 116.42 114.98 3fqw h ASP 61 Ca 0.23 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 3fqw h ASP 61 Cb 0.30 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 3fqw h ASP 61 CO -0.01 0.20 0.33 1.23 -2.88 0.00 0.00 179.24 178.12 3fqw h GLY 62 N 0.08 0.81 1.25 -0.78 0.00 -0.85 -0.48 103.07 103.11 3fqw h GLY 62 Ca 0.04 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 3fqw h GLY 62 CO -0.01 0.33 -0.14 0.83 0.00 0.00 0.00 176.54 177.56 3fqw h GLU 63 N 0.75 0.88 -0.10 4.80 4.39 -0.84 -1.53 114.58 122.92 3fqw h GLU 63 Ca 0.20 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 3fqw h GLU 63 Cb -0.01 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3fqw h GLU 63 CO -0.04 0.96 0.02 1.15 -1.16 0.00 0.00 179.01 179.94 3fqw h THR 64 N 0.78 1.21 -0.49 1.13 2.02 -0.97 -1.09 112.91 115.50 3fqw h THR 64 Ca 0.12 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.69 3fqw h THR 64 Cb 0.66 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 3fqw h THR 64 CO 0.05 0.19 0.27 -0.09 0.37 0.00 0.00 175.52 176.30 3fqw h ARG 65 N -0.05 0.52 -0.43 6.66 2.43 -0.96 -0.83 114.38 121.71 3fqw h ARG 65 Ca 0.03 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 3fqw h ARG 65 Cb 0.27 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3fqw h ARG 65 CO 0.00 0.34 -0.17 0.87 -1.51 0.00 0.00 179.97 179.51 3fqw h LYS 66 N 0.53 0.87 -0.10 0.20 1.57 -1.17 -1.65 116.57 116.82 3fqw h LYS 66 Ca 0.21 -0.36 -0.14 0.00 -1.87 0.00 0.00 60.65 58.48 3fqw h LYS 66 Cb 0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3fqw h LYS 66 CO -0.12 1.01 -0.55 -0.39 -0.57 0.00 0.00 179.45 178.82 3fqw h VAL 67 N 0.70 1.36 -0.77 0.50 -1.51 -1.01 -1.21 116.25 114.30 3fqw h VAL 67 Ca 0.10 -1.85 -0.05 0.00 -1.23 0.00 0.00 66.70 63.68 3fqw h VAL 67 Cb 0.72 1.88 -0.03 0.00 -2.13 0.00 0.00 31.29 31.73 3fqw h VAL 67 CO 0.05 0.55 0.29 0.11 -1.23 0.00 0.00 177.57 177.35 3fqw h LYS 68 N 0.24 1.17 -0.86 5.19 1.57 -1.04 -1.16 116.57 121.68 3fqw h LYS 68 Ca 0.00 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 3fqw h LYS 68 Cb 1.04 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.13 3fqw h LYS 68 CO 0.09 0.96 0.44 0.00 -0.57 0.00 0.00 179.45 180.36 3fqw h ALA 69 N 1.15 1.10 -0.77 3.86 0.00 -0.89 -1.79 119.26 121.93 3fqw h ALA 69 Ca 0.26 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.08 3fqw h ALA 69 Cb 0.24 -0.34 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3fqw h ALA 69 CO -0.02 0.64 0.46 0.45 0.00 0.00 0.00 179.25 180.79 3fqw h HIS 70 N 1.21 0.84 -0.61 0.00 3.86 -0.80 -0.57 115.15 119.09 3fqw h HIS 70 Ca 0.30 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.56 3fqw h HIS 70 Cb 0.08 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.25 3fqw h HIS 70 CO 0.01 0.41 0.38 1.03 0.86 0.00 0.00 177.93 180.63 3fqw h SER 71 N 0.83 0.63 -0.21 2.45 0.87 -0.41 -1.19 113.55 116.52 3fqw h SER 71 Ca 0.34 -0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.74 3fqw h SER 71 Cb 0.19 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3fqw h SER 71 CO -0.18 0.45 -0.45 1.56 -0.53 0.00 0.00 176.83 177.68 3fqw h GLN 72 N 0.76 0.77 -0.37 2.24 1.08 -0.98 -1.24 115.11 117.37 3fqw h GLN 72 Ca 0.24 -0.43 0.04 0.00 -1.45 0.00 0.00 58.65 57.05 3fqw h GLN 72 Cb -0.01 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 3fqw h GLN 72 CO -0.09 1.06 0.14 1.15 -0.95 0.00 0.00 178.83 180.14 3fqw h THR 73 N 0.62 0.92 -0.72 -0.54 2.02 -0.81 -1.66 112.91 112.73 3fqw h THR 73 Ca 0.04 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 3fqw h THR 73 Cb 1.01 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 3fqw h THR 73 CO 0.10 0.06 0.28 0.45 0.37 0.00 0.00 175.52 176.77 3fqw h HIS 74 N 0.31 1.09 -0.23 3.16 3.86 -1.06 -0.35 115.15 121.92 3fqw h HIS 74 Ca 0.16 -0.08 0.04 0.00 -1.16 0.00 0.00 60.37 59.33 3fqw h HIS 74 Cb 0.12 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.23 3fqw h HIS 74 CO -0.13 0.83 0.01 -0.09 0.86 0.00 0.00 177.93 179.41 3fqw h ARG 75 N 1.04 0.09 -0.55 2.45 2.43 -0.75 -0.15 114.38 118.94 3fqw h ARG 75 Ca 0.24 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3fqw h ARG 75 Cb 0.21 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3fqw h ARG 75 CO -0.02 0.06 0.28 0.28 -1.51 0.00 0.00 179.97 179.05 3fqw h VAL 76 N 0.09 1.20 -0.60 0.20 2.07 -1.05 -2.95 116.25 115.21 3fqw h VAL 76 Ca 0.11 -0.55 0.07 0.00 0.82 0.00 0.00 66.70 67.16 3fqw h VAL 76 Cb 0.13 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.38 3fqw h VAL 76 CO -0.17 0.22 0.27 0.44 0.02 0.00 0.00 177.57 178.35 3fqw h ASP 77 N 0.75 0.34 -0.97 0.57 3.32 -0.60 -0.32 116.42 119.50 3fqw h ASP 77 Ca 0.19 0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.40 3fqw h ASP 77 Cb 0.10 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.58 3fqw h ASP 77 CO -0.03 0.21 0.62 -0.07 -1.72 0.00 0.00 179.24 178.26 3fqw h LEU 78 N 0.49 0.92 -0.09 1.55 3.38 -0.87 0.39 115.31 121.08 3fqw h LEU 78 Ca 0.29 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3fqw h LEU 78 Cb 0.28 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3fqw h LEU 78 CO -0.24 0.53 0.02 1.23 0.09 0.00 0.00 178.44 180.06 3fqw h GLY 79 N 1.01 0.17 0.91 0.83 0.00 -1.12 -1.80 103.07 103.06 3fqw h GLY 79 Ca 0.46 -0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.69 3fqw h GLY 79 CO -0.21 0.10 0.23 -0.84 0.00 0.00 0.00 176.54 175.82 3fqw h THR 80 N -0.08 1.04 -0.67 4.70 2.02 -0.10 -2.47 112.91 117.35 3fqw h THR 80 Ca 0.03 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 3fqw h THR 80 Cb 0.28 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3fqw h THR 80 CO 0.00 0.09 0.17 -0.07 0.37 0.00 0.00 175.52 176.08 3fqw h LEU 81 N 0.47 0.99 -1.05 2.58 3.38 -0.28 -0.02 115.31 121.39 3fqw h LEU 81 Ca 0.16 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.00 3fqw h LEU 81 Cb 0.01 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.43 3fqw h LEU 81 CO -0.07 0.95 0.63 -0.09 0.09 0.00 0.00 178.44 179.95 3fqw h ARG 82 N 1.01 1.08 -0.10 1.13 2.43 -1.05 -0.68 114.38 118.20 3fqw h ARG 82 Ca 0.21 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 3fqw h ARG 82 Cb 0.34 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3fqw h ARG 82 CO -0.00 0.71 -0.35 0.78 -1.51 0.00 0.00 179.97 179.60 3fqw h GLY 83 N 1.11 0.45 0.33 2.80 0.00 -0.93 0.23 103.07 107.06 3fqw h GLY 83 Ca 0.43 -0.60 0.11 0.00 0.00 0.00 0.00 47.33 47.27 3fqw h GLY 83 CO -0.18 0.54 0.33 -0.97 0.00 0.00 0.00 176.54 176.26 3fqw h TYR 84 N -0.03 0.57 -0.21 5.60 0.05 -0.62 -1.68 116.97 120.66 3fqw h TYR 84 Ca -0.02 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3fqw h TYR 84 Cb 0.98 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.58 3fqw h TYR 84 CO 0.12 0.15 0.00 0.66 -1.05 0.00 0.00 178.16 178.04 3fqw n TYR 85 N -4.93 0.26 -3.62 4.88 4.01 -0.30 -4.95 117.16 112.52 3fqw n TYR 85 Ca 0.12 -0.13 -0.24 0.00 -0.16 0.00 0.00 57.90 57.49 3fqw n TYR 85 Cb 0.33 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.44 3fqw n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3fqw n ASN 86 N 0.76 -5.83 -4.94 7.72 5.15 -0.50 -4.98 115.26 112.65 3fqw n ASN 86 Ca 0.17 -0.57 -0.25 0.00 -0.60 0.00 0.00 54.58 53.32 3fqw n ASN 86 Cb 0.44 -4.91 -0.02 0.00 -0.53 0.00 0.00 39.78 34.75 3fqw n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3fqw s GLN 87 N -6.27 3.51 0.72 1.20 -0.21 0.70 -5.02 119.66 114.28 3fqw s GLN 87 Ca 0.54 -0.36 -0.15 0.00 0.02 0.00 0.00 55.36 55.41 3fqw s GLN 87 Cb -0.24 -2.77 0.03 0.00 1.00 0.00 0.00 33.01 31.03 3fqw s GLN 87 CO 0.74 0.31 1.17 0.45 -2.12 0.00 0.00 175.29 175.84 3fqw s SER 88 N -3.55 4.43 0.00 5.90 0.15 -1.26 -4.78 113.70 114.59 3fqw s SER 88 Ca 0.39 2.22 0.26 0.00 0.70 0.00 0.00 55.95 59.52 3fqw s SER 88 Cb -0.10 -2.57 1.26 0.00 -1.71 0.00 0.00 66.02 62.90 3fqw s SER 88 CO 0.31 -2.10 1.88 -0.62 1.20 0.00 0.00 173.24 173.91 3fqw n GLU 89 N -2.73 0.25 0.11 5.44 1.02 -1.26 -3.97 120.64 119.50 3fqw n GLU 89 Ca 0.12 0.04 -0.01 0.00 -0.02 0.00 0.00 57.16 57.29 3fqw n GLU 89 Cb 0.51 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.40 3fqw n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fqw h ALA 90 N 3.13 0.56 -2.46 0.62 0.00 -1.95 -3.44 119.26 115.73 3fqw h ALA 90 Ca 0.00 -0.64 -0.52 0.00 0.00 0.00 0.00 54.91 53.74 3fqw h ALA 90 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3fqw h ALA 90 CO 0.00 0.87 -0.16 0.20 0.00 0.00 0.00 179.25 180.15 3fqw s GLY 91 N -4.57 1.91 0.10 0.00 0.00 -1.25 -4.73 107.32 98.77 3fqw s GLY 91 Ca 0.03 -0.56 -0.22 0.00 0.00 0.00 0.00 44.72 43.97 3fqw s GLY 91 CO 0.77 -0.46 0.65 -0.45 0.00 0.00 0.00 173.10 173.62 3fqw s SER 92 N -3.06 7.18 0.18 1.64 0.15 -1.26 -4.70 113.70 113.83 3fqw s SER 92 Ca 0.44 1.40 0.01 0.00 0.70 0.00 0.00 55.95 58.50 3fqw s SER 92 Cb -0.11 -2.41 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 3fqw s SER 92 CO 0.29 0.23 0.02 -1.00 1.20 0.00 0.00 173.24 173.98 3fqw s HIS 93 N -1.02 1.22 -0.04 3.44 3.76 -1.26 -4.95 115.29 116.44 3fqw s HIS 93 Ca 0.32 -1.07 0.04 0.00 -0.15 0.00 0.00 55.06 54.20 3fqw s HIS 93 Cb -0.21 -0.69 -0.00 0.00 1.11 0.00 0.00 32.58 32.79 3fqw s HIS 93 CO 0.22 -0.27 -0.14 0.99 -0.85 0.00 0.00 174.74 174.69 3fqw s THR 94 N -3.72 1.19 -0.09 1.30 2.01 -1.26 -1.33 115.64 113.74 3fqw s THR 94 Ca 0.26 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.70 3fqw s THR 94 Cb 0.06 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 3fqw s THR 94 CO 0.05 0.35 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.51 3fqw s VAL 95 N 0.12 3.06 0.03 3.82 1.01 -0.35 -0.14 120.40 127.96 3fqw s VAL 95 Ca -0.04 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.30 3fqw s VAL 95 Cb -0.11 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3fqw s VAL 95 CO 0.02 0.56 -0.17 -1.10 0.00 0.00 0.00 175.10 174.41 3fqw s GLN 96 N -0.24 1.19 -0.01 2.72 -0.21 -0.47 -0.91 119.66 121.73 3fqw s GLN 96 Ca 0.01 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 54.59 3fqw s GLN 96 Cb -0.13 -1.23 0.01 0.00 1.00 0.00 0.00 33.01 32.65 3fqw s GLN 96 CO 0.03 0.32 0.03 0.50 -2.12 0.00 0.00 175.29 174.04 3fqw s ARG 97 N -1.00 0.03 -0.01 2.91 3.52 -0.03 -0.70 118.95 123.67 3fqw s ARG 97 Ca 0.05 0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.71 3fqw s ARG 97 Cb -0.08 -0.01 0.01 0.00 -1.56 0.00 0.00 34.95 33.32 3fqw s ARG 97 CO 0.01 -0.02 0.00 1.41 -0.81 0.00 0.00 175.30 175.90 3fqw s MET 98 N 0.11 0.09 0.11 5.12 -2.45 -0.21 -0.21 119.30 121.85 3fqw s MET 98 Ca -0.01 0.05 -0.10 0.00 -1.25 0.00 0.00 55.69 54.38 3fqw s MET 98 Cb -0.01 -0.20 0.00 0.00 1.25 0.00 0.00 34.83 35.87 3fqw s MET 98 CO -0.00 -0.06 0.24 1.52 1.05 0.00 0.00 175.02 177.77 3fqw s TYR 99 N 0.46 0.16 -2.69 4.11 -0.85 -0.76 -0.75 117.35 117.04 3fqw s TYR 99 Ca -0.04 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 55.95 3fqw s TYR 99 Cb -0.06 -0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.26 3fqw s TYR 99 CO -0.01 -0.61 0.00 0.41 -1.52 0.00 0.00 175.55 173.82 3fqw n GLY 100 N -0.12 -1.89 2.98 5.49 0.00 -0.79 -0.79 105.19 110.07 3fqw n GLY 100 Ca -0.13 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 44.65 3fqw n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fqw s ASP 102 N -1.37 4.32 0.15 0.00 1.01 0.04 -1.39 116.67 119.44 3fqw s ASP 102 Ca -0.14 -0.15 0.10 0.00 0.71 0.00 0.00 52.55 53.06 3fqw s ASP 102 Cb -0.09 -0.97 -0.04 0.00 1.01 0.00 0.00 42.92 42.83 3fqw s ASP 102 CO -0.01 0.33 -0.21 0.68 0.21 0.00 0.00 175.17 176.17 3fqw s VAL 103 N -0.83 1.99 0.18 -1.27 -7.23 0.94 -0.35 120.40 113.84 3fqw s VAL 103 Ca 0.13 -1.84 -0.03 0.00 -1.81 0.00 0.00 61.98 58.43 3fqw s VAL 103 Cb -0.11 -1.87 0.04 0.00 0.56 0.00 0.00 36.38 35.00 3fqw s VAL 103 CO 0.03 -0.15 0.25 0.61 -0.31 0.00 0.00 175.10 175.52 3fqw n GLY 104 N 0.54 -1.01 0.29 2.32 0.00 -0.54 -1.17 105.19 105.62 3fqw n GLY 104 Ca -0.15 -1.71 0.11 0.00 0.00 0.00 0.00 46.02 44.28 3fqw n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3fqw h SER 105 N -0.31 0.00 -0.29 1.61 0.02 -1.91 0.61 113.55 113.28 3fqw h SER 105 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3fqw h SER 105 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3fqw h SER 105 CO 0.06 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 174.85 3fqw n ASP 106 N -4.36 1.66 -1.07 3.07 5.68 -1.26 -4.91 116.55 115.36 3fqw n ASP 106 Ca -0.01 -1.94 -0.14 0.00 -0.50 0.00 0.00 54.79 52.20 3fqw n ASP 106 Cb 0.18 -0.19 -0.06 0.00 -1.14 0.00 0.00 41.12 39.91 3fqw n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3fqw n TRP 107 N 0.39 0.00 -3.20 2.11 7.02 0.21 -4.99 117.44 118.98 3fqw n TRP 107 Ca 0.12 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.28 3fqw n TRP 107 Cb 0.27 -2.88 -0.05 0.00 -2.42 0.00 0.00 31.31 26.23 3fqw n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3fqw s ARG 108 N -3.14 3.87 0.10 -0.99 3.00 -1.26 -4.76 118.95 115.78 3fqw s ARG 108 Ca 0.00 0.46 -0.36 0.00 0.00 0.00 0.00 55.73 55.83 3fqw s ARG 108 Cb 0.00 -2.51 -0.16 0.00 0.00 0.00 0.00 34.95 32.28 3fqw s ARG 108 CO 0.00 0.18 1.36 0.34 0.00 0.00 0.00 175.30 177.18 3fqw n PHE 109 N -0.49 1.62 -0.06 -0.53 7.35 -1.26 -1.47 117.46 122.61 3fqw n PHE 109 Ca 0.02 0.59 -0.14 0.00 -0.76 0.00 0.00 57.45 57.16 3fqw n PHE 109 Cb 0.53 -2.36 -0.05 0.00 0.35 0.00 0.00 39.48 37.95 3fqw n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3fqw n LEU 110 N 2.61 1.03 -3.47 -2.13 7.94 0.53 -4.78 117.00 118.72 3fqw n LEU 110 Ca 0.18 0.17 -0.11 0.00 -1.11 0.00 0.00 56.01 55.14 3fqw n LEU 110 Cb 0.21 -0.42 -0.03 0.00 0.53 0.00 0.00 43.42 43.71 3fqw n LEU 110 CO 0.62 0.21 0.54 0.00 -1.11 0.00 0.00 177.39 177.66 3fqw s ARG 111 N -2.27 1.03 0.17 1.96 1.70 -1.15 -4.99 118.95 115.40 3fqw s ARG 111 Ca -0.19 -0.29 0.05 0.00 -0.47 0.00 0.00 55.73 54.82 3fqw s ARG 111 Cb 0.07 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.88 3fqw s ARG 111 CO 0.24 -0.43 -0.08 0.20 -1.08 0.00 0.00 175.30 174.15 3fqw s GLY 112 N -2.39 1.23 0.04 3.88 0.00 -1.26 -0.78 107.32 108.03 3fqw s GLY 112 Ca 0.01 -1.58 -0.18 0.00 0.00 0.00 0.00 44.72 42.97 3fqw s GLY 112 CO -0.08 -1.63 0.42 -2.52 0.00 0.00 0.00 173.10 169.29 3fqw s TYR 113 N -3.32 -0.28 -0.30 1.90 1.13 -0.45 -4.80 117.35 111.23 3fqw s TYR 113 Ca 0.20 0.25 -0.01 0.00 -1.41 0.00 0.00 57.07 56.10 3fqw s TYR 113 Cb 0.03 0.23 0.19 0.00 -1.10 0.00 0.00 41.96 41.31 3fqw s TYR 113 CO 0.03 -0.58 0.59 -1.58 -2.51 0.00 0.00 175.55 171.51 3fqw s HIS 114 N -2.46 -1.59 0.10 -3.49 2.46 -1.26 -1.89 115.29 107.17 3fqw s HIS 114 Ca -0.05 1.64 0.04 0.00 0.47 0.00 0.00 55.06 57.15 3fqw s HIS 114 Cb -0.01 0.53 -0.04 0.00 -0.13 0.00 0.00 32.58 32.93 3fqw s HIS 114 CO -0.02 -0.89 -0.10 1.14 -2.47 0.00 0.00 174.74 172.40 3fqw s GLN 115 N 2.84 0.86 -0.01 2.88 -2.07 0.08 -1.19 119.66 123.05 3fqw s GLN 115 Ca 0.20 -1.18 0.01 0.00 -1.82 0.00 0.00 55.36 52.57 3fqw s GLN 115 Cb -0.15 -0.54 0.00 0.00 -1.09 0.00 0.00 33.01 31.24 3fqw s GLN 115 CO -0.21 0.08 -0.03 -0.47 -1.32 0.00 0.00 175.29 173.33 3fqw s TYR 116 N -2.53 0.36 0.03 9.60 5.04 -0.23 -1.05 117.35 128.57 3fqw s TYR 116 Ca 0.06 -0.06 0.03 0.00 -2.44 0.00 0.00 57.07 54.66 3fqw s TYR 116 Cb -0.02 -0.26 -0.02 0.00 0.35 0.00 0.00 41.96 42.01 3fqw s TYR 116 CO -0.00 -0.03 -0.09 0.00 -1.34 0.00 0.00 175.55 174.09 3fqw s ALA 117 N 0.06 0.72 -0.13 3.97 0.00 0.12 -1.44 121.76 125.07 3fqw s ALA 117 Ca -0.00 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3fqw s ALA 117 Cb -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 3fqw s ALA 117 CO -0.00 0.09 -0.17 -0.47 0.00 0.00 0.00 175.76 175.20 3fqw s TYR 118 N -0.87 2.72 -1.60 0.00 5.04 -0.88 -1.36 117.35 120.39 3fqw s TYR 118 Ca -0.03 -0.90 -0.13 0.00 -2.44 0.00 0.00 57.07 53.56 3fqw s TYR 118 Cb -0.07 -1.82 0.11 0.00 0.35 0.00 0.00 41.96 40.53 3fqw s TYR 118 CO 0.01 -0.36 0.74 -0.25 -1.34 0.00 0.00 175.55 174.35 3fqw n ASP 119 N 3.70 -2.92 0.00 4.32 8.00 0.80 -2.22 116.55 128.23 3fqw n ASP 119 Ca -0.19 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.35 3fqw n ASP 119 Cb 0.52 -3.05 0.00 0.00 -0.02 0.00 0.00 41.12 38.57 3fqw n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fqw n GLY 120 N -1.59 0.62 3.35 0.44 0.00 -1.26 -5.00 105.19 101.75 3fqw n GLY 120 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 3fqw n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fqw s LYS 121 N -0.03 1.32 0.16 1.61 1.02 -0.94 -5.10 119.74 117.78 3fqw s LYS 121 Ca 0.00 -1.27 -0.33 0.00 0.02 0.00 0.00 55.97 54.39 3fqw s LYS 121 Cb 0.00 -1.72 -0.16 0.00 -0.52 0.00 0.00 37.83 35.43 3fqw s LYS 121 CO 0.00 0.41 1.23 -0.25 -0.92 0.00 0.00 175.35 175.81 3fqw n ASP 122 N 1.01 1.58 0.00 2.83 8.00 -1.26 -2.08 116.55 126.63 3fqw n ASP 122 Ca -0.18 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.45 3fqw n ASP 122 Cb 0.53 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 3fqw n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fqw n TYR 123 N 1.76 0.00 -3.91 1.24 9.36 -0.52 -4.72 117.16 120.37 3fqw n TYR 123 Ca 0.15 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.26 3fqw n TYR 123 Cb 0.24 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.82 3fqw n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3fqw s ILE 124 N -0.97 0.05 -0.01 2.97 2.07 -1.02 -1.55 121.20 122.74 3fqw s ILE 124 Ca 0.00 -0.25 -0.02 0.00 -1.41 0.00 0.00 60.65 58.97 3fqw s ILE 124 Cb 0.00 -0.09 -0.00 0.00 0.13 0.00 0.00 42.46 42.49 3fqw s ILE 124 CO 0.00 -0.12 0.05 0.00 -1.91 0.00 0.00 174.94 172.96 3fqw s ALA 125 N -0.38 -0.11 0.12 1.50 0.00 -0.21 -1.07 121.76 121.61 3fqw s ALA 125 Ca -0.04 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 3fqw s ALA 125 Cb -0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 23.12 23.01 3fqw s ALA 125 CO -0.00 -0.09 1.24 -1.17 0.00 0.00 0.00 175.76 175.74 3fqw s LEU 126 N -0.54 4.40 0.82 0.00 2.96 -0.33 -0.23 118.68 125.75 3fqw s LEU 126 Ca -0.06 2.17 -0.12 0.00 -0.22 0.00 0.00 54.13 55.90 3fqw s LEU 126 Cb -0.04 -3.59 0.08 0.00 0.50 0.00 0.00 46.19 43.14 3fqw s LEU 126 CO 0.00 -0.48 1.12 -0.54 -1.32 0.00 0.00 176.35 175.13 3fqw s LYS 127 N 0.61 1.91 0.60 1.98 1.02 0.56 -4.56 119.74 121.85 3fqw s LYS 127 Ca 0.58 0.47 0.35 0.00 0.02 0.00 0.00 55.97 57.39 3fqw s LYS 127 Cb -0.32 -1.91 1.93 0.00 -0.52 0.00 0.00 37.83 37.01 3fqw s LYS 127 CO 0.32 -1.71 2.25 1.49 -0.92 0.00 0.00 175.35 176.78 3fqw h GLU 128 N -1.15 0.00 0.00 1.68 4.81 -1.89 0.95 114.58 118.99 3fqw h GLU 128 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3fqw h GLU 128 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3fqw h GLU 128 CO 0.61 0.02 0.00 -0.40 -0.73 0.00 0.00 179.01 178.52 3fqw n ASP 129 N -3.50 0.13 -2.24 1.04 5.75 -1.26 -4.78 116.55 111.68 3fqw n ASP 129 Ca -0.03 0.53 -0.19 0.00 -0.01 0.00 0.00 54.79 55.10 3fqw n ASP 129 Cb 0.12 -0.56 -0.02 0.00 -1.03 0.00 0.00 41.12 39.63 3fqw n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3fqw n LEU 130 N -1.64 -1.66 0.00 -2.12 4.77 0.33 -4.78 117.00 111.90 3fqw n LEU 130 Ca 0.03 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 3fqw n LEU 130 Cb 0.16 -2.71 0.00 0.00 -2.33 0.00 0.00 43.42 38.55 3fqw n LEU 130 CO 0.13 -0.35 -0.27 0.54 -1.33 0.00 0.00 177.39 176.11 3fqw n ARG 131 N -2.82 2.12 -4.18 3.23 1.74 -1.26 -4.57 116.66 110.92 3fqw n ARG 131 Ca -0.21 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.63 3fqw n ARG 131 Cb 0.66 -0.77 -0.07 0.00 -1.02 0.00 0.00 32.46 31.25 3fqw n ARG 131 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3fqw s SER 132 N -2.15 4.62 -0.04 0.55 0.01 -1.26 -4.89 113.70 110.54 3fqw s SER 132 Ca 0.00 -0.74 0.06 0.00 1.31 0.00 0.00 55.95 56.58 3fqw s SER 132 Cb 0.00 -0.77 -0.01 0.00 0.21 0.00 0.00 66.02 65.45 3fqw s SER 132 CO 0.00 -0.20 -0.21 0.26 0.41 0.00 0.00 173.24 173.50 3fqw s TRP 133 N -2.40 2.01 -0.43 2.43 0.52 -1.26 -0.33 118.94 119.48 3fqw s TRP 133 Ca 0.35 -0.51 -0.15 0.00 0.02 0.00 0.00 56.10 55.81 3fqw s TRP 133 Cb -0.04 -1.32 0.04 0.00 -1.15 0.00 0.00 33.47 31.01 3fqw s TRP 133 CO 0.22 -0.13 0.33 0.99 0.02 0.00 0.00 176.95 178.38 3fqw s THR 134 N -0.23 5.23 -0.22 2.01 2.01 0.68 -4.92 115.64 120.19 3fqw s THR 134 Ca 0.01 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 3fqw s THR 134 Cb -0.11 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 3fqw s THR 134 CO 0.01 -0.40 0.08 0.00 -0.69 0.00 0.00 174.62 173.63 3fqw s ALA 135 N 1.66 3.35 -0.03 7.40 0.00 -1.26 -1.04 121.76 131.83 3fqw s ALA 135 Ca 0.05 -0.91 0.11 0.00 0.00 0.00 0.00 51.96 51.20 3fqw s ALA 135 Cb -0.21 -2.05 -0.06 0.00 0.00 0.00 0.00 23.12 20.80 3fqw s ALA 135 CO 0.09 -0.13 1.37 0.00 0.00 0.00 0.00 175.76 177.08 3fqw h ALA 136 N 7.41 0.53 -2.80 0.00 0.00 -1.57 -3.45 119.26 119.38 3fqw h ALA 136 Ca -0.37 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 53.84 3fqw h ALA 136 Cb 1.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3fqw h ALA 136 CO 0.64 0.91 -0.02 -0.40 0.00 0.00 0.00 179.25 180.38 3fqw n ASP 137 N -3.28 -0.19 0.11 0.00 5.68 -1.26 -5.04 116.55 112.57 3fqw n ASP 137 Ca 0.01 -1.27 -0.03 0.00 -0.50 0.00 0.00 54.79 53.00 3fqw n ASP 137 Cb 0.83 0.35 0.07 0.00 -1.14 0.00 0.00 41.12 41.23 3fqw n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3fqw h MET 138 N 0.00 0.00 -0.04 0.11 2.86 -1.99 -0.09 114.93 115.79 3fqw h MET 138 Ca -0.04 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3fqw h MET 138 Cb 0.17 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 3fqw h MET 138 CO 0.05 0.74 0.02 0.00 1.06 0.00 0.00 176.91 178.79 3fqw h ALA 139 N 1.26 0.06 -0.23 6.32 0.00 -1.97 -1.92 119.26 122.76 3fqw h ALA 139 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3fqw h ALA 139 Cb 1.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3fqw h ALA 139 CO 0.10 -0.39 0.11 0.00 0.00 0.00 0.00 179.25 179.07 3fqw h ALA 140 N 0.92 1.76 -0.81 0.00 0.00 -1.80 -1.06 119.26 118.27 3fqw h ALA 140 Ca 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3fqw h ALA 140 Cb 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3fqw h ALA 140 CO -0.00 0.20 0.35 0.37 0.00 0.00 0.00 179.25 180.17 3fqw h GLN 141 N 0.32 1.20 -0.30 0.00 5.75 -0.72 0.24 115.11 121.59 3fqw h GLN 141 Ca 0.08 -0.20 0.02 0.00 -0.15 0.00 0.00 58.65 58.40 3fqw h GLN 141 Cb 0.04 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 3fqw h GLN 141 CO -0.01 0.95 0.17 1.15 -2.65 0.00 0.00 178.83 178.44 3fqw h THR 142 N 1.17 1.01 -0.96 2.39 2.02 -0.42 -1.72 112.91 116.41 3fqw h THR 142 Ca 0.27 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.37 3fqw h THR 142 Cb 0.18 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 3fqw h THR 142 CO -0.03 0.06 0.63 0.74 0.37 0.00 0.00 175.52 177.30 3fqw h THR 143 N 0.34 1.18 -0.62 3.16 2.02 -0.93 -2.49 112.91 115.57 3fqw h THR 143 Ca 0.12 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 3fqw h THR 143 Cb 0.02 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.24 3fqw h THR 143 CO -0.07 0.23 0.24 0.50 0.37 0.00 0.00 175.52 176.78 3fqw h LYS 144 N 1.24 0.94 -0.77 6.66 3.64 0.17 0.57 116.57 129.01 3fqw h LYS 144 Ca 0.38 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3fqw h LYS 144 Cb -0.03 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.60 3fqw h LYS 144 CO -0.11 0.81 0.40 0.45 -2.27 0.00 0.00 179.45 178.72 3fqw h HIS 145 N 0.88 1.08 -0.53 1.91 3.86 -1.15 0.43 115.15 121.63 3fqw h HIS 145 Ca 0.21 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3fqw h HIS 145 Cb 0.23 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 3fqw h HIS 145 CO 0.01 0.77 0.28 -0.22 0.86 0.00 0.00 177.93 179.63 3fqw h LYS 146 N 1.09 0.75 0.00 2.45 3.64 -0.92 -1.84 116.57 121.74 3fqw h LYS 146 Ca 0.27 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 3fqw h LYS 146 Cb 0.07 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3fqw h LYS 146 CO -0.04 0.59 -0.73 -1.49 -2.27 0.00 0.00 179.45 175.52 3fqw h TRP 147 N 0.71 0.00 0.17 1.91 4.06 -0.48 -1.86 115.95 120.46 3fqw h TRP 147 Ca 0.18 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.13 3fqw h TRP 147 Cb 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 3fqw h TRP 147 CO -0.01 0.73 -0.08 0.93 -3.56 0.00 0.00 178.44 176.45 3fqw h GLU 148 N 0.00 -0.22 -0.21 0.49 5.08 -0.81 -1.70 114.58 117.20 3fqw h GLU 148 Ca -0.01 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3fqw h GLU 148 Cb 1.34 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 3fqw h GLU 148 CO 0.09 -0.02 0.16 0.00 -1.00 0.00 0.00 179.01 178.24 3fqw h ALA 149 N 0.41 2.16 -0.59 3.43 0.00 -1.15 -2.24 119.26 121.28 3fqw h ALA 149 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fqw h ALA 149 Cb 0.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3fqw h ALA 149 CO 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.02 3fqw n ALA 150 N -2.56 2.75 -2.90 0.00 0.00 -0.71 -4.94 120.51 112.15 3fqw n ALA 150 Ca 0.02 -1.24 -0.20 0.00 0.00 0.00 0.00 53.44 52.02 3fqw n ALA 150 Cb 0.30 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.77 3fqw n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3fqw n HIS 151 N 1.12 -1.66 -0.18 0.00 -0.00 -0.84 -4.87 115.22 108.79 3fqw n HIS 151 Ca 0.22 0.31 -0.08 0.00 -0.00 0.00 0.00 57.72 58.17 3fqw n HIS 151 Cb 0.67 -3.57 0.01 0.00 -0.00 0.00 0.00 29.99 27.10 3fqw n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3fqw h VAL 152 N -0.75 1.22 -0.57 1.59 2.07 -1.57 -2.84 116.25 115.39 3fqw h VAL 152 Ca -0.44 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 3fqw h VAL 152 Cb 1.31 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 3fqw h VAL 152 CO 0.51 0.26 0.29 0.00 0.02 0.00 0.00 177.57 178.65 3fqw h ALA 153 N 1.04 1.44 -0.46 1.67 0.00 -1.90 -1.81 119.26 119.25 3fqw h ALA 153 Ca 0.17 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3fqw h ALA 153 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3fqw h ALA 153 CO -0.01 0.45 0.30 0.93 0.00 0.00 0.00 179.25 180.92 3fqw h GLU 154 N 0.80 0.60 -0.51 0.00 5.08 -1.78 0.98 114.58 119.76 3fqw h GLU 154 Ca 0.20 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 3fqw h GLU 154 Cb 0.05 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3fqw h GLU 154 CO -0.03 0.40 -0.04 1.96 -1.00 0.00 0.00 179.01 180.30 3fqw h GLN 155 N 0.62 0.92 -0.35 2.33 4.20 -1.37 -1.54 115.11 119.92 3fqw h GLN 155 Ca 0.17 -0.31 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 3fqw h GLN 155 Cb -0.07 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 3fqw h GLN 155 CO -0.04 0.97 0.05 -0.07 -0.67 0.00 0.00 178.83 179.07 3fqw h LEU 156 N 0.79 0.55 -0.74 1.46 3.38 -1.08 -2.12 115.31 117.56 3fqw h LEU 156 Ca 0.14 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 57.91 3fqw h LEU 156 Cb 0.58 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 3fqw h LEU 156 CO 0.03 0.67 0.43 -0.09 0.09 0.00 0.00 178.44 179.58 3fqw h ARG 157 N 0.41 0.76 -0.55 1.13 2.43 -0.69 0.12 114.38 117.99 3fqw h ARG 157 Ca 0.11 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3fqw h ARG 157 Cb 0.36 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3fqw h ARG 157 CO 0.01 0.51 0.30 0.00 -1.51 0.00 0.00 179.97 179.27 3fqw h ALA 158 N 1.37 0.71 -0.15 2.80 0.00 -1.13 -1.65 119.26 121.21 3fqw h ALA 158 Ca 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3fqw h ALA 158 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fqw h ALA 158 CO -0.18 0.24 0.05 -0.92 0.00 0.00 0.00 179.25 178.44 3fqw h TYR 159 N 0.74 0.23 -0.33 0.00 3.20 -0.74 -0.82 116.97 119.26 3fqw h TYR 159 Ca 0.19 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 3fqw h TYR 159 Cb 0.06 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3fqw h TYR 159 CO -0.01 0.32 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.60 3fqw h LEU 160 N 0.07 0.58 0.00 2.82 3.38 -0.63 0.26 115.31 121.80 3fqw h LEU 160 Ca 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3fqw h LEU 160 Cb 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fqw h LEU 160 CO -0.00 0.77 -0.89 -0.62 0.09 0.00 0.00 178.44 177.78 3fqw n GLU 161 N -4.16 0.42 0.00 1.13 1.02 -0.64 -3.91 120.64 114.51 3fqw n GLU 161 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3fqw n GLU 161 Cb 0.37 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 3fqw n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fqw n GLY 162 N 1.28 0.41 0.30 0.62 0.00 -0.32 -4.64 105.19 102.85 3fqw n GLY 162 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 3fqw n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3fqw h THR 163 N 0.00 0.48 0.04 2.61 2.02 -1.59 0.26 112.91 116.72 3fqw h THR 163 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3fqw h THR 163 Cb 0.00 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 3fqw h THR 163 CO 0.00 0.07 -0.06 0.00 0.37 0.00 0.00 175.52 175.90 3fqw h VAL 165 N -0.12 1.42 -0.33 0.00 -1.51 -1.38 -1.67 116.25 112.67 3fqw h VAL 165 Ca 0.01 -2.23 -0.04 0.00 -1.23 0.00 0.00 66.70 63.20 3fqw h VAL 165 Cb 0.12 2.18 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 3fqw h VAL 165 CO -0.03 0.66 0.04 -0.33 -1.23 0.00 0.00 177.57 176.68 3fqw h GLU 166 N 0.17 0.56 0.01 5.19 5.08 -0.78 -1.64 114.58 123.17 3fqw h GLU 166 Ca -0.02 -0.16 -0.19 0.00 -1.00 0.00 0.00 59.36 57.98 3fqw h GLU 166 Cb 1.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3fqw h GLU 166 CO 0.11 0.66 -0.87 -1.49 -1.00 0.00 0.00 179.01 176.42 3fqw h TRP 167 N 0.39 0.21 -0.37 4.33 4.06 -1.23 -2.00 115.95 121.34 3fqw h TRP 167 Ca 0.10 -0.12 0.06 0.00 2.06 0.00 0.00 58.89 60.99 3fqw h TRP 167 Cb 0.39 -0.02 -0.06 0.00 -1.00 0.00 0.00 29.16 28.47 3fqw h TRP 167 CO 0.03 0.94 0.03 1.25 -3.56 0.00 0.00 178.44 177.13 3fqw h LEU 168 N 0.08 -0.09 -0.66 -4.49 5.85 -1.22 0.12 115.31 114.89 3fqw h LEU 168 Ca -0.04 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3fqw h LEU 168 Cb 1.51 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.63 3fqw h LEU 168 CO 0.13 -0.01 0.39 0.03 -0.34 0.00 0.00 178.44 178.64 3fqw h ARG 169 N 0.14 0.91 -0.29 1.25 3.08 -1.13 0.58 114.38 118.91 3fqw h ARG 169 Ca 0.18 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 60.18 3fqw h ARG 169 Cb 0.24 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 3fqw h ARG 169 CO -0.28 0.66 0.05 -0.09 -1.07 0.00 0.00 179.97 179.25 3fqw h ARG 170 N 0.90 0.16 -0.36 0.04 2.43 -0.90 -1.64 114.38 115.01 3fqw h ARG 170 Ca 0.24 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 3fqw h ARG 170 Cb -0.00 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3fqw h ARG 170 CO -0.04 0.10 0.17 1.88 -1.51 0.00 0.00 179.97 180.57 3fqw h TYR 171 N 0.16 0.51 -0.47 2.20 0.05 -0.16 -0.56 116.97 118.70 3fqw h TYR 171 Ca 0.13 -0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.95 3fqw h TYR 171 Cb 0.14 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 3fqw h TYR 171 CO -0.17 0.44 0.32 -0.07 -1.05 0.00 0.00 178.16 177.63 3fqw h LEU 172 N 0.44 0.36 0.09 3.88 3.38 -0.70 0.17 115.31 122.93 3fqw h LEU 172 Ca 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3fqw h LEU 172 Cb 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3fqw h LEU 172 CO -0.02 0.23 -0.04 -0.08 0.09 0.00 0.00 178.44 178.62 3fqw h GLU 173 N 0.41 -0.12 -0.25 1.13 4.57 -0.90 -2.77 114.58 116.64 3fqw h GLU 173 Ca 0.20 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.33 3fqw h GLU 173 Cb 0.29 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3fqw h GLU 173 CO -0.05 0.40 -0.12 -0.91 -1.18 0.00 0.00 179.01 177.15 3fqw h ASN 174 N -0.77 0.40 -0.76 1.04 2.35 -0.71 -2.56 115.58 114.57 3fqw h ASN 174 Ca -0.01 -0.10 -0.32 0.00 -0.55 0.00 0.00 56.30 55.32 3fqw h ASN 174 Cb 0.57 -0.11 -0.19 0.00 0.05 0.00 0.00 38.32 38.65 3fqw h ASN 174 CO 0.02 0.56 0.36 0.61 -1.65 0.00 0.00 177.43 177.33 3fqw n GLY 175 N -0.72 4.22 0.29 2.83 0.00 0.56 -4.75 105.19 107.62 3fqw n GLY 175 Ca 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 46.02 45.00 3fqw n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3fqw h LYS 176 N 1.68 0.36 -0.11 1.61 2.10 -1.15 0.24 116.57 121.30 3fqw h LYS 176 Ca 0.40 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 59.06 3fqw h LYS 176 Cb 2.41 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 33.66 3fqw h LYS 176 CO 0.81 0.25 0.08 0.93 -2.00 0.00 0.00 179.45 179.52 3fqw h GLU 177 N 0.37 0.00 0.00 0.07 4.39 -1.86 -2.39 114.58 115.17 3fqw h GLU 177 Ca 0.10 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.64 3fqw h GLU 177 Cb -0.02 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 3fqw h GLU 177 CO -0.02 0.00 -1.58 0.25 -1.16 0.00 0.00 179.01 176.50 3fqw n THR 178 N -4.41 0.58 0.15 1.13 -2.24 -0.81 -4.44 114.28 104.24 3fqw n THR 178 Ca -0.00 -0.20 0.03 0.00 -2.27 0.00 0.00 64.05 61.61 3fqw n THR 178 Cb 0.20 -1.12 0.41 0.00 -2.10 0.00 0.00 70.33 67.71 3fqw n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3fqw h LEU 179 N -0.13 0.16 -3.15 3.22 3.38 -0.61 -2.46 115.31 115.72 3fqw h LEU 179 Ca -0.24 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3fqw h LEU 179 Cb 1.31 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3fqw h LEU 179 CO -0.08 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.79 3fqw n GLN 180 N -4.26 3.55 -4.29 1.13 6.02 -0.90 -4.91 117.38 113.72 3fqw n GLN 180 Ca -0.01 -2.78 -0.34 0.00 -0.01 0.00 0.00 57.00 53.85 3fqw n GLN 180 Cb 0.28 -1.82 -0.10 0.00 1.02 0.00 0.00 30.24 29.62 3fqw n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3fqw s ARG 181 N -1.95 3.42 -0.11 -1.09 3.52 -0.93 -5.02 118.95 116.79 3fqw s ARG 181 Ca 0.46 -0.42 -0.06 0.00 -0.13 0.00 0.00 55.73 55.58 3fqw s ARG 181 Cb 0.31 -2.93 -0.04 0.00 -1.56 0.00 0.00 34.95 30.73 3fqw s ARG 181 CO 0.20 0.48 0.12 0.95 -0.81 0.00 0.00 175.30 176.24 3fqw s THR 182 N -0.25 5.33 -0.37 4.11 -4.23 -1.26 -4.83 115.64 114.14 3fqw s THR 182 Ca 0.06 0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.62 3fqw s THR 182 Cb -0.12 -3.32 0.05 0.00 1.34 0.00 0.00 72.50 70.45 3fqw s THR 182 CO 0.02 0.60 0.16 -1.81 -0.54 0.00 0.00 174.62 173.05 3fqw s ASP 183 N -1.07 5.44 0.54 3.99 1.01 0.38 -4.94 116.67 122.01 3fqw s ASP 183 Ca 0.15 -1.28 -0.22 0.00 0.71 0.00 0.00 52.55 51.92 3fqw s ASP 183 Cb -0.12 -1.91 -0.05 0.00 1.01 0.00 0.00 42.92 41.85 3fqw s ASP 183 CO 0.05 -0.40 1.30 0.00 0.21 0.00 0.00 175.17 176.32 3fqw s ALA 184 N 1.41 2.81 0.22 5.23 0.00 -1.26 -1.15 121.76 129.01 3fqw s ALA 184 Ca 0.01 1.21 -0.31 0.00 0.00 0.00 0.00 51.96 52.87 3fqw s ALA 184 Cb -0.21 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.29 3fqw s ALA 184 CO 0.03 -1.21 1.58 -2.14 0.00 0.00 0.00 175.76 174.02 3fqw s PRO 185 N -2.92 4.19 -0.23 0.00 0.02 -1.26 -4.58 135.00 130.22 3fqw s PRO 185 Ca 0.71 2.44 -0.27 0.00 0.02 0.00 0.00 61.00 63.90 3fqw s PRO 185 Cb -0.37 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.05 3fqw s PRO 185 CO 0.43 -0.60 0.94 0.15 -0.33 0.00 0.00 177.00 177.59 3fqw s LYS 186 N 0.52 4.23 0.12 5.54 1.02 0.06 -4.81 119.74 126.43 3fqw s LYS 186 Ca 0.67 1.17 0.08 0.00 0.02 0.00 0.00 55.97 57.91 3fqw s LYS 186 Cb -0.45 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.18 3fqw s LYS 186 CO 0.37 -0.57 -0.13 0.95 -0.92 0.00 0.00 175.35 175.06 3fqw s THR 187 N 2.99 3.15 0.17 2.17 -4.23 -1.26 -0.78 115.64 117.85 3fqw s THR 187 Ca 0.40 -1.43 -0.24 0.00 -1.18 0.00 0.00 61.69 59.24 3fqw s THR 187 Cb -0.15 -2.48 0.06 0.00 1.34 0.00 0.00 72.50 71.26 3fqw s THR 187 CO 0.07 0.06 0.79 -1.38 -0.54 0.00 0.00 174.62 173.62 3fqw s HIS 188 N -1.29 -0.28 -0.05 3.99 -3.43 -0.95 -5.00 115.29 108.30 3fqw s HIS 188 Ca 0.21 -0.03 0.05 0.00 -0.80 0.00 0.00 55.06 54.49 3fqw s HIS 188 Cb -0.10 0.63 -0.01 0.00 -1.43 0.00 0.00 32.58 31.67 3fqw s HIS 188 CO 0.13 -0.91 -0.19 1.41 -2.00 0.00 0.00 174.74 173.17 3fqw s MET 189 N -3.56 1.95 0.32 -0.38 1.75 -1.26 -0.36 119.30 117.75 3fqw s MET 189 Ca 0.08 -0.68 0.08 0.00 -1.25 0.00 0.00 55.69 53.92 3fqw s MET 189 Cb -0.03 -1.69 -0.04 0.00 2.84 0.00 0.00 34.83 35.91 3fqw s MET 189 CO -0.02 0.28 0.11 0.95 -0.65 0.00 0.00 175.02 175.70 3fqw s THR 190 N -0.03 3.22 -0.07 10.11 -4.23 0.07 -4.91 115.64 119.80 3fqw s THR 190 Ca -0.03 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 58.75 3fqw s THR 190 Cb -0.12 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 70.77 3fqw s THR 190 CO 0.02 -0.24 -0.06 -2.28 -0.54 0.00 0.00 174.62 171.52 3fqw s HIS 191 N -2.38 1.03 -0.21 3.99 5.65 -1.26 -1.32 115.29 120.79 3fqw s HIS 191 Ca 0.36 -0.38 -0.02 0.00 0.25 0.00 0.00 55.06 55.27 3fqw s HIS 191 Cb -0.04 -0.89 0.06 0.00 -1.18 0.00 0.00 32.58 30.54 3fqw s HIS 191 CO 0.22 -0.30 0.03 -1.01 -0.65 0.00 0.00 174.74 173.04 3fqw s HIS 192 N 1.19 1.17 0.31 3.88 3.76 0.25 -4.98 115.29 120.88 3fqw s HIS 192 Ca -0.06 -0.99 -0.29 0.00 -0.15 0.00 0.00 55.06 53.56 3fqw s HIS 192 Cb -0.14 -1.12 -0.12 0.00 1.11 0.00 0.00 32.58 32.32 3fqw s HIS 192 CO -0.02 -0.65 1.51 0.00 -0.85 0.00 0.00 174.74 174.74 3fqw n ALA 193 N 5.01 2.20 0.18 -1.40 0.00 -1.26 -0.36 120.51 124.88 3fqw n ALA 193 Ca -0.09 0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.78 3fqw n ALA 193 Cb 0.46 -2.41 -0.08 0.00 0.00 0.00 0.00 19.45 17.43 3fqw n ALA 193 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fqw n VAL 194 N 1.48 0.00 -3.67 0.00 0.31 -0.12 -4.84 118.33 111.49 3fqw n VAL 194 Ca 0.07 -0.25 -0.01 0.00 -0.01 0.00 0.00 64.34 64.14 3fqw n VAL 194 Cb 0.37 0.52 0.01 0.00 -0.91 0.00 0.00 33.84 33.82 3fqw n VAL 194 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3fqw n SER 195 N -1.66 -0.70 -0.07 4.52 3.41 -1.07 -4.96 113.62 113.09 3fqw n SER 195 Ca -0.01 -1.35 0.05 0.00 -0.26 0.00 0.00 58.87 57.31 3fqw n SER 195 Cb 0.25 1.14 0.29 0.00 -0.26 0.00 0.00 64.21 65.63 3fqw n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3fqw n ASP 196 N -0.83 0.20 -0.10 4.04 3.85 -1.26 -3.79 116.55 118.66 3fqw n ASP 196 Ca -0.01 -1.70 0.00 0.00 -0.71 0.00 0.00 54.79 52.37 3fqw n ASP 196 Cb 0.25 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.00 3fqw n ASP 196 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3fqw n HIS 197 N -0.53 0.00 -3.88 2.11 1.44 -1.26 -4.96 115.22 108.14 3fqw n HIS 197 Ca 0.08 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.68 3fqw n HIS 197 Cb 0.07 0.06 -0.11 0.00 0.12 0.00 0.00 29.99 30.12 3fqw n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3fqw s GLU 198 N 0.00 0.29 0.00 -1.40 2.02 -1.25 -0.20 118.70 118.17 3fqw s GLU 198 Ca 0.00 -0.21 -0.11 0.00 0.02 0.00 0.00 54.97 54.68 3fqw s GLU 198 Cb 0.00 0.12 0.01 0.00 0.10 0.00 0.00 34.13 34.36 3fqw s GLU 198 CO 0.00 -0.06 0.21 0.00 0.02 0.00 0.00 175.26 175.44 3fqw s ALA 199 N -0.77 -0.51 -0.15 5.21 0.00 -0.16 -0.94 121.76 124.44 3fqw s ALA 199 Ca -0.09 0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.72 3fqw s ALA 199 Cb -0.05 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3fqw s ALA 199 CO 0.00 -0.26 0.45 0.99 0.00 0.00 0.00 175.76 176.95 3fqw s THR 200 N -1.57 5.19 -0.17 0.00 2.01 0.51 -0.54 115.64 121.06 3fqw s THR 200 Ca -0.13 0.87 -0.10 0.00 0.31 0.00 0.00 61.69 62.64 3fqw s THR 200 Cb -0.06 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 3fqw s THR 200 CO 0.02 0.29 0.16 -0.76 -0.69 0.00 0.00 174.62 173.64 3fqw s LEU 201 N 0.92 4.26 -0.15 4.42 1.43 -0.09 -0.58 118.68 128.89 3fqw s LEU 201 Ca 0.23 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.68 3fqw s LEU 201 Cb -0.15 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 43.96 3fqw s LEU 201 CO 0.09 0.23 -0.17 -0.60 0.23 0.00 0.00 176.35 176.12 3fqw s ARG 202 N 0.02 2.63 -0.27 1.70 3.52 -0.43 -1.27 118.95 124.83 3fqw s ARG 202 Ca 0.11 -0.69 -0.11 0.00 -0.13 0.00 0.00 55.73 54.90 3fqw s ARG 202 Cb -0.12 -2.27 -0.05 0.00 -1.56 0.00 0.00 34.95 30.95 3fqw s ARG 202 CO 0.00 -0.16 0.20 0.00 -0.81 0.00 0.00 175.30 174.53 3fqw s TRP 204 N 1.68 3.07 -0.15 0.00 0.52 0.51 -1.50 118.94 123.08 3fqw s TRP 204 Ca 0.08 0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.22 3fqw s TRP 204 Cb -0.16 -1.82 0.02 0.00 -1.15 0.00 0.00 33.47 30.36 3fqw s TRP 204 CO 0.10 0.29 -0.17 0.00 0.02 0.00 0.00 176.95 177.19 3fqw s ALA 205 N -0.49 1.98 0.11 0.98 0.00 0.15 -2.23 121.76 122.25 3fqw s ALA 205 Ca 0.08 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.15 3fqw s ALA 205 Cb -0.12 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 3fqw s ALA 205 CO 0.02 -0.27 -0.17 -0.51 0.00 0.00 0.00 175.76 174.84 3fqw s LEU 206 N 1.26 2.35 -1.42 0.00 1.43 0.04 -1.37 118.68 120.97 3fqw s LEU 206 Ca 0.01 -0.74 -0.07 0.00 -1.03 0.00 0.00 54.13 52.30 3fqw s LEU 206 Cb -0.14 -0.69 0.01 0.00 0.03 0.00 0.00 46.19 45.41 3fqw s LEU 206 CO -0.08 -0.05 0.88 -0.24 0.23 0.00 0.00 176.35 177.08 3fqw n SER 207 N 0.80 -6.16 -4.87 2.29 2.88 -0.66 -0.76 113.62 107.14 3fqw n SER 207 Ca -0.17 -0.40 -0.23 0.00 -1.33 0.00 0.00 58.87 56.73 3fqw n SER 207 Cb 0.55 -4.88 -0.04 0.00 -0.75 0.00 0.00 64.21 59.09 3fqw n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3fqw s PHE 208 N -3.24 3.25 -0.26 0.66 -0.71 -0.87 -4.73 117.98 112.08 3fqw s PHE 208 Ca 0.43 -0.04 -0.17 0.00 -1.04 0.00 0.00 56.93 56.11 3fqw s PHE 208 Cb -0.19 -1.50 0.07 0.00 -1.21 0.00 0.00 43.02 40.19 3fqw s PHE 208 CO 0.54 0.50 0.65 -0.47 -1.34 0.00 0.00 175.22 175.09 3fqw s TYR 209 N -1.97 -0.92 1.17 3.49 5.04 -0.30 -0.85 117.35 123.00 3fqw s TYR 209 Ca 0.33 1.93 -0.19 0.00 -2.44 0.00 0.00 57.07 56.70 3fqw s TYR 209 Cb -0.09 0.49 0.27 0.00 0.35 0.00 0.00 41.96 42.98 3fqw s TYR 209 CO 0.26 -0.46 1.15 -2.14 -1.34 0.00 0.00 175.55 173.02 3fqw s PRO 210 N 1.28 -0.94 0.38 4.97 0.02 -1.26 -0.47 135.00 138.97 3fqw s PRO 210 Ca -0.07 -0.14 0.13 0.00 0.02 0.00 0.00 61.00 60.94 3fqw s PRO 210 Cb -0.05 -1.64 0.75 0.00 0.02 0.00 0.00 34.50 33.58 3fqw s PRO 210 CO -0.14 -3.51 1.84 0.00 -0.33 0.00 0.00 177.00 174.86 3fqw h ALA 211 N -2.43 1.39 -2.13 -1.55 0.00 -1.95 -3.45 119.26 109.14 3fqw h ALA 211 Ca -0.45 -0.32 -0.60 0.00 0.00 0.00 0.00 54.91 53.54 3fqw h ALA 211 Cb 1.28 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 19.05 3fqw h ALA 211 CO 0.34 0.45 0.92 0.39 0.00 0.00 0.00 179.25 181.35 3fqw n GLU 212 N -4.09 2.11 -3.51 0.00 4.71 -1.26 -4.96 120.64 113.64 3fqw n GLU 212 Ca -0.02 0.77 -0.16 0.00 -0.01 0.00 0.00 57.16 57.74 3fqw n GLU 212 Cb 0.40 -2.56 -0.05 0.00 -1.01 0.00 0.00 31.44 28.21 3fqw n GLU 212 CO 0.00 0.00 0.00 -1.50 0.09 0.00 0.00 177.13 175.72 3fqw s ILE 213 N 2.36 0.01 -0.09 -3.67 2.07 -1.26 -4.60 121.20 116.00 3fqw s ILE 213 Ca 0.86 -0.04 0.01 0.00 -1.41 0.00 0.00 60.65 60.06 3fqw s ILE 213 Cb -0.70 -0.99 0.02 0.00 0.13 0.00 0.00 42.46 40.92 3fqw s ILE 213 CO 0.45 -0.02 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.46 3fqw s THR 214 N -1.97 1.13 -0.14 4.00 2.01 -0.55 -5.00 115.64 115.12 3fqw s THR 214 Ca -0.07 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.53 3fqw s THR 214 Cb -0.00 -1.08 -0.00 0.00 0.01 0.00 0.00 72.50 71.42 3fqw s THR 214 CO 0.03 0.37 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.40 3fqw s LEU 215 N 1.21 2.39 0.03 4.42 1.43 -1.26 -1.12 118.68 125.77 3fqw s LEU 215 Ca -0.04 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 3fqw s LEU 215 Cb -0.14 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 3fqw s LEU 215 CO -0.03 0.10 -0.07 0.42 0.23 0.00 0.00 176.35 177.00 3fqw s THR 216 N 0.72 0.47 -0.09 5.49 -4.23 -0.57 -4.97 115.64 112.45 3fqw s THR 216 Ca -0.08 -0.80 -0.04 0.00 -1.18 0.00 0.00 61.69 59.59 3fqw s THR 216 Cb -0.16 -0.50 -0.04 0.00 1.34 0.00 0.00 72.50 73.14 3fqw s THR 216 CO 0.01 -0.24 0.08 0.26 -0.54 0.00 0.00 174.62 174.19 3fqw s TRP 217 N -0.99 3.39 0.08 3.99 0.52 -1.26 -0.09 118.94 124.57 3fqw s TRP 217 Ca -0.07 0.36 0.09 0.00 0.02 0.00 0.00 56.10 56.50 3fqw s TRP 217 Cb -0.07 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.36 3fqw s TRP 217 CO 0.00 0.61 -0.23 -0.65 0.02 0.00 0.00 176.95 176.70 3fqw s GLN 218 N -1.04 1.37 -0.15 4.98 -0.21 0.20 -0.72 119.66 124.09 3fqw s GLN 218 Ca 0.15 -1.12 0.02 0.00 0.02 0.00 0.00 55.36 54.43 3fqw s GLN 218 Cb -0.12 -1.62 0.01 0.00 1.00 0.00 0.00 33.01 32.28 3fqw s GLN 218 CO 0.04 0.40 -0.20 0.50 -2.12 0.00 0.00 175.29 173.91 3fqw s ARG 219 N -1.59 3.06 -1.57 2.91 3.52 -0.13 -1.25 118.95 123.90 3fqw s ARG 219 Ca 0.09 -0.82 -0.12 0.00 -0.13 0.00 0.00 55.73 54.75 3fqw s ARG 219 Cb -0.10 -2.52 0.09 0.00 -1.56 0.00 0.00 34.95 30.87 3fqw s ARG 219 CO 0.03 -0.06 0.73 -0.25 -0.81 0.00 0.00 175.30 174.95 3fqw n ASP 220 N 4.22 -2.78 -0.43 -2.12 8.00 -0.05 -2.01 116.55 121.37 3fqw n ASP 220 Ca -0.20 -0.94 -0.06 0.00 0.71 0.00 0.00 54.79 54.30 3fqw n ASP 220 Cb 0.51 -3.18 -0.02 0.00 -0.02 0.00 0.00 41.12 38.41 3fqw n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fqw n GLY 221 N -1.64 0.80 3.08 0.44 0.00 -1.26 -5.02 105.19 101.60 3fqw n GLY 221 Ca -0.05 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 3fqw n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fqw s GLU 222 N -2.18 1.36 0.23 1.61 2.12 -0.85 -5.07 118.70 115.91 3fqw s GLU 222 Ca 0.00 -0.47 -0.31 0.00 0.36 0.00 0.00 54.97 54.55 3fqw s GLU 222 Cb 0.00 -1.22 -0.14 0.00 0.26 0.00 0.00 34.13 33.02 3fqw s GLU 222 CO 0.00 0.20 1.21 -0.25 -0.54 0.00 0.00 175.26 175.89 3fqw n ASP 223 N 3.14 1.86 -4.11 -1.70 9.92 -1.26 -0.96 116.55 123.45 3fqw n ASP 223 Ca -0.18 1.15 -0.27 0.00 -0.53 0.00 0.00 54.79 54.97 3fqw n ASP 223 Cb 0.54 -1.31 -0.17 0.00 -0.64 0.00 0.00 41.12 39.54 3fqw n ASP 223 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 3fqw s GLN 224 N -0.73 2.11 -0.03 -1.24 0.74 0.10 -4.78 119.66 115.84 3fqw s GLN 224 Ca 0.67 -0.59 0.03 0.00 0.05 0.00 0.00 55.36 55.52 3fqw s GLN 224 Cb -0.74 -1.70 -0.04 0.00 1.10 0.00 0.00 33.01 31.63 3fqw s GLN 224 CO 0.54 0.12 0.03 0.25 -0.55 0.00 0.00 175.29 175.67 3fqw n THR 225 N 3.57 0.17 -1.71 -0.34 -2.24 -1.26 -4.40 114.28 108.08 3fqw n THR 225 Ca -0.21 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.02 3fqw n THR 225 Cb 0.52 -0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 3fqw n THR 225 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fqw n GLN 226 N -2.01 2.35 -2.17 -0.78 1.13 -1.26 -2.51 117.38 112.13 3fqw n GLN 226 Ca -0.04 0.83 -0.19 0.00 -1.94 0.00 0.00 57.00 55.66 3fqw n GLN 226 Cb 0.49 -2.53 -0.03 0.00 0.11 0.00 0.00 30.24 28.28 3fqw n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3fqw n ASP 227 N 1.81 -5.46 -4.68 1.08 9.92 -1.26 -4.86 116.55 113.10 3fqw n ASP 227 Ca 0.09 0.10 -0.24 0.00 -0.53 0.00 0.00 54.79 54.21 3fqw n ASP 227 Cb 0.35 -4.54 -0.07 0.00 -0.64 0.00 0.00 41.12 36.22 3fqw n ASP 227 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3fqw s THR 228 N -2.90 3.67 -0.03 -3.53 -4.23 -1.04 -1.88 115.64 105.71 3fqw s THR 228 Ca 0.00 -1.71 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 3fqw s THR 228 Cb 0.00 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.93 3fqw s THR 228 CO 0.00 -0.30 -0.00 -0.70 -0.54 0.00 0.00 174.62 173.07 3fqw s GLU 229 N -3.52 0.33 -0.21 3.99 2.12 0.15 -4.96 118.70 116.60 3fqw s GLU 229 Ca 0.31 0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.70 3fqw s GLU 229 Cb -0.07 -0.48 0.04 0.00 0.26 0.00 0.00 34.13 33.88 3fqw s GLU 229 CO 0.20 -0.11 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.52 3fqw s LEU 230 N 0.91 2.47 0.47 2.70 2.96 -1.26 0.02 118.68 126.95 3fqw s LEU 230 Ca -0.09 -0.95 -0.16 0.00 -0.22 0.00 0.00 54.13 52.70 3fqw s LEU 230 Cb -0.13 -1.32 -0.08 0.00 0.50 0.00 0.00 46.19 45.15 3fqw s LEU 230 CO -0.01 -0.13 0.93 0.68 -1.32 0.00 0.00 176.35 176.49 3fqw s VAL 231 N 1.33 4.55 0.38 1.68 -7.23 -1.02 -5.02 120.40 115.07 3fqw s VAL 231 Ca -0.02 1.17 -0.28 0.00 -1.81 0.00 0.00 61.98 61.04 3fqw s VAL 231 Cb -0.16 -3.69 -0.11 0.00 0.56 0.00 0.00 36.38 32.98 3fqw s VAL 231 CO -0.08 -0.56 1.46 -1.83 -0.31 0.00 0.00 175.10 173.78 3fqw s GLU 232 N -3.79 4.09 0.30 4.82 1.03 -1.26 -4.60 118.70 119.29 3fqw s GLU 232 Ca 0.58 2.51 -0.30 0.00 0.03 0.00 0.00 54.97 57.79 3fqw s GLU 232 Cb -0.10 -2.94 -0.12 0.00 -0.80 0.00 0.00 34.13 30.17 3fqw s GLU 232 CO 0.27 -0.53 1.57 2.41 -1.33 0.00 0.00 175.26 177.65 3fqw n THR 233 N 0.42 1.14 -4.11 1.83 -1.04 -1.26 -4.86 114.28 106.40 3fqw n THR 233 Ca 0.01 -0.29 -0.14 0.00 -2.04 0.00 0.00 64.05 61.59 3fqw n THR 233 Cb 0.40 -1.93 -0.12 0.00 -1.82 0.00 0.00 70.33 66.86 3fqw n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fqw s ARG 234 N -0.70 0.55 0.19 -2.82 1.70 -0.50 -4.97 118.95 112.40 3fqw s ARG 234 Ca 0.63 -0.64 -0.30 0.00 -0.47 0.00 0.00 55.73 54.95 3fqw s ARG 234 Cb -0.50 -0.39 -0.08 0.00 -0.57 0.00 0.00 34.95 33.40 3fqw s ARG 234 CO 0.51 0.08 1.21 -1.25 -1.08 0.00 0.00 175.30 174.77 3fqw s PRO 235 N -1.23 4.48 0.37 3.89 0.04 -1.26 -0.41 135.00 140.88 3fqw s PRO 235 Ca -0.06 1.90 0.20 0.00 0.04 0.00 0.00 61.00 63.08 3fqw s PRO 235 Cb -0.08 -3.23 0.54 0.00 0.04 0.00 0.00 34.50 31.77 3fqw s PRO 235 CO 0.00 -0.11 1.66 0.00 0.04 0.00 0.00 177.00 178.60 3fqw h ALA 236 N 5.23 0.89 0.00 8.56 0.00 -1.28 -3.46 119.26 129.20 3fqw h ALA 236 Ca -0.45 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3fqw h ALA 236 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3fqw h ALA 236 CO 0.75 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.84 3fqw n GLY 237 N 0.59 0.34 0.35 0.00 0.00 -1.26 -4.93 105.19 100.28 3fqw n GLY 237 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3fqw n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fqw n ASP 238 N 0.00 2.81 0.00 1.61 5.68 -1.26 -4.95 116.55 120.45 3fqw n ASP 238 Ca 0.00 -2.86 0.00 0.00 -0.50 0.00 0.00 54.79 51.43 3fqw n ASP 238 Cb 0.00 -0.40 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 3fqw n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fqw n GLY 239 N -0.91 0.93 3.98 6.12 0.00 -1.26 -5.06 105.19 109.00 3fqw n GLY 239 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 3fqw n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fqw s THR 240 N -2.24 2.46 0.27 2.61 -4.23 -1.26 -4.91 115.64 108.34 3fqw s THR 240 Ca 0.00 -1.11 0.06 0.00 -1.18 0.00 0.00 61.69 59.46 3fqw s THR 240 Cb 0.00 -2.58 -0.06 0.00 1.34 0.00 0.00 72.50 71.21 3fqw s THR 240 CO 0.00 0.00 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.67 3fqw s PHE 241 N -2.54 1.90 0.06 3.99 0.40 -0.03 -0.80 117.98 120.95 3fqw s PHE 241 Ca 0.54 -0.74 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 3fqw s PHE 241 Cb -0.06 -1.09 -0.03 0.00 0.51 0.00 0.00 43.02 42.35 3fqw s PHE 241 CO 0.33 0.23 -0.08 -0.65 0.70 0.00 0.00 175.22 175.75 3fqw s GLN 242 N -3.75 0.64 -0.06 0.44 -0.21 0.45 -1.65 119.66 115.52 3fqw s GLN 242 Ca 0.29 -0.94 -0.31 0.00 0.02 0.00 0.00 55.36 54.42 3fqw s GLN 242 Cb 0.04 -0.31 0.08 0.00 1.00 0.00 0.00 33.01 33.82 3fqw s GLN 242 CO 0.11 0.04 0.73 0.21 -2.12 0.00 0.00 175.29 174.26 3fqw s LYS 243 N -2.25 1.00 0.04 2.91 2.20 -0.47 -1.42 119.74 121.75 3fqw s LYS 243 Ca -0.03 0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.79 3fqw s LYS 243 Cb -0.06 0.47 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 3fqw s LYS 243 CO -0.01 -0.32 -0.03 1.67 -0.36 0.00 0.00 175.35 176.31 3fqw s TRP 244 N -1.26 0.45 -0.01 4.03 1.48 -1.26 -0.68 118.94 121.69 3fqw s TRP 244 Ca -0.09 -0.92 0.02 0.00 -1.06 0.00 0.00 56.10 54.04 3fqw s TRP 244 Cb -0.00 -0.34 -0.01 0.00 -1.16 0.00 0.00 33.47 31.97 3fqw s TRP 244 CO 0.08 -0.33 -0.07 0.00 -4.06 0.00 0.00 176.95 172.57 3fqw s ALA 245 N -3.27 0.57 0.13 2.67 0.00 -0.56 -2.44 121.76 118.87 3fqw s ALA 245 Ca 0.01 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.72 3fqw s ALA 245 Cb 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3fqw s ALA 245 CO -0.08 0.14 -0.10 0.00 0.00 0.00 0.00 175.76 175.72 3fqw s ALA 246 N -0.15 1.36 -0.04 0.00 0.00 0.10 -0.33 121.76 122.70 3fqw s ALA 246 Ca 0.03 -1.41 -0.06 0.00 0.00 0.00 0.00 51.96 50.51 3fqw s ALA 246 Cb -0.03 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.15 3fqw s ALA 246 CO -0.00 -0.08 0.16 0.54 0.00 0.00 0.00 175.76 176.37 3fqw s VAL 247 N -3.11 0.03 -0.16 0.00 0.11 -0.40 -0.67 120.40 116.19 3fqw s VAL 247 Ca 0.14 -0.24 -0.12 0.00 -2.93 0.00 0.00 61.98 58.82 3fqw s VAL 247 Cb 0.01 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 3fqw s VAL 247 CO 0.00 -0.13 0.24 -0.69 -3.33 0.00 0.00 175.10 171.19 3fqw s VAL 248 N -0.43 5.34 0.10 2.04 1.01 -0.79 -0.92 120.40 126.75 3fqw s VAL 248 Ca -0.05 0.44 0.04 0.00 0.00 0.00 0.00 61.98 62.40 3fqw s VAL 248 Cb -0.03 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 3fqw s VAL 248 CO 0.01 0.43 -0.10 0.68 0.00 0.00 0.00 175.10 176.11 3fqw s VAL 249 N 0.25 0.95 0.17 2.92 -7.23 0.30 -4.97 120.40 112.80 3fqw s VAL 249 Ca 0.14 -1.63 -0.31 0.00 -1.81 0.00 0.00 61.98 58.38 3fqw s VAL 249 Cb -0.13 -1.35 -0.09 0.00 0.56 0.00 0.00 36.38 35.38 3fqw s VAL 249 CO 0.03 -0.54 1.36 -2.84 -0.31 0.00 0.00 175.10 172.79 3fqw s PRO 250 N -2.75 4.34 0.32 4.82 0.02 -1.26 -0.99 135.00 139.51 3fqw s PRO 250 Ca 0.05 2.10 -0.29 0.00 0.02 0.00 0.00 61.00 62.88 3fqw s PRO 250 Cb -0.03 -3.20 -0.11 0.00 0.02 0.00 0.00 34.50 31.17 3fqw s PRO 250 CO 0.00 -0.35 1.57 -1.12 -0.33 0.00 0.00 177.00 176.78 3fqw s SER 251 N 0.65 6.33 0.00 2.53 0.01 0.72 -1.70 113.70 122.25 3fqw s SER 251 Ca 0.60 3.01 0.00 0.00 1.31 0.00 0.00 55.95 60.87 3fqw s SER 251 Cb -0.37 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.21 3fqw s SER 251 CO 0.36 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.69 3fqw n GLY 252 N 1.60 2.07 1.31 3.44 0.00 -1.26 -4.88 105.19 107.48 3fqw n GLY 252 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3fqw n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fqw n GLN 253 N -2.00 3.34 -0.12 1.61 1.13 -0.69 -4.67 117.38 115.98 3fqw n GLN 253 Ca 0.00 -2.70 0.18 0.00 -1.94 0.00 0.00 57.00 52.54 3fqw n GLN 253 Cb 0.00 -1.73 0.58 0.00 0.11 0.00 0.00 30.24 29.20 3fqw n GLN 253 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3fqw h GLU 254 N 3.52 0.25 0.00 -1.09 3.07 -1.90 -1.89 114.58 116.54 3fqw h GLU 254 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3fqw h GLU 254 Cb 1.25 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3fqw h GLU 254 CO 0.15 0.17 0.00 1.04 -1.40 0.00 0.00 179.01 178.97 3fqw n GLN 255 N -4.44 0.14 0.26 2.33 1.13 -1.26 -2.05 117.38 113.50 3fqw n GLN 255 Ca 0.14 0.35 0.15 0.00 -1.94 0.00 0.00 57.00 55.69 3fqw n GLN 255 Cb 0.59 -1.75 0.64 0.00 0.11 0.00 0.00 30.24 29.83 3fqw n GLN 255 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3fqw h ARG 256 N 0.00 0.00 -5.31 -1.09 3.08 -1.72 -3.45 114.38 105.89 3fqw h ARG 256 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3fqw h ARG 256 Cb 0.37 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.27 3fqw h ARG 256 CO 0.00 0.07 -0.54 0.71 -1.07 0.00 0.00 179.97 179.14 3fqw s TYR 257 N -3.71 3.31 -0.03 3.04 1.51 -0.87 -0.87 117.35 119.73 3fqw s TYR 257 Ca 0.01 0.17 0.05 0.00 -1.01 0.00 0.00 57.07 56.28 3fqw s TYR 257 Cb 0.10 -2.09 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 3fqw s TYR 257 CO 0.57 0.23 -0.17 0.95 -1.11 0.00 0.00 175.55 176.02 3fqw s THR 258 N 0.28 1.34 -0.16 -0.71 -4.23 -0.38 -4.46 115.64 107.31 3fqw s THR 258 Ca 0.05 -0.70 -0.08 0.00 -1.18 0.00 0.00 61.69 59.79 3fqw s THR 258 Cb -0.12 -1.14 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 3fqw s THR 258 CO -0.00 0.39 0.09 0.00 -0.54 0.00 0.00 174.62 174.55 3fqw s HIS 260 N -0.06 2.66 -0.17 0.00 3.76 0.87 -0.31 115.29 122.03 3fqw s HIS 260 Ca 0.08 -0.83 0.01 0.00 -0.15 0.00 0.00 55.06 54.17 3fqw s HIS 260 Cb -0.12 -1.76 0.02 0.00 1.11 0.00 0.00 32.58 31.84 3fqw s HIS 260 CO 0.01 -0.30 -0.17 0.08 -0.85 0.00 0.00 174.74 173.51 3fqw s VAL 261 N 0.27 1.88 -0.11 -0.90 1.01 0.08 -1.52 120.40 121.12 3fqw s VAL 261 Ca -0.14 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 60.99 3fqw s VAL 261 Cb -0.17 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3fqw s VAL 261 CO 0.07 0.48 -0.14 -1.10 0.00 0.00 0.00 175.10 174.41 3fqw s GLN 262 N 1.36 3.12 -0.15 2.72 -0.21 -0.28 -1.25 119.66 124.96 3fqw s GLN 262 Ca 0.04 -0.69 -0.28 0.00 0.02 0.00 0.00 55.36 54.44 3fqw s GLN 262 Cb -0.13 -2.55 0.08 0.00 1.00 0.00 0.00 33.01 31.41 3fqw s GLN 262 CO -0.12 0.33 0.74 -1.58 -2.12 0.00 0.00 175.29 172.55 3fqw s HIS 263 N 0.03 -0.67 0.55 0.91 2.46 -1.26 -1.48 115.29 115.83 3fqw s HIS 263 Ca -0.05 1.38 0.27 0.00 0.47 0.00 0.00 55.06 57.14 3fqw s HIS 263 Cb -0.14 0.36 1.46 0.00 -0.13 0.00 0.00 32.58 34.12 3fqw s HIS 263 CO 0.04 -0.48 1.98 1.49 -2.47 0.00 0.00 174.74 175.30 3fqw h GLU 264 N 3.76 0.00 -0.02 2.88 4.81 -1.94 -0.40 114.58 123.67 3fqw h GLU 264 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3fqw h GLU 264 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3fqw h GLU 264 CO 0.24 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.93 3fqw n GLY 265 N -1.59 -0.74 3.10 1.92 0.00 -1.26 -4.66 105.19 101.97 3fqw n GLY 265 Ca 0.09 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3fqw n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fqw s LEU 266 N -1.78 4.14 0.27 0.99 1.43 -0.16 -4.51 118.68 119.06 3fqw s LEU 266 Ca 0.37 -1.60 -0.02 0.00 -1.03 0.00 0.00 54.13 51.85 3fqw s LEU 266 Cb 0.18 -1.66 0.59 0.00 0.03 0.00 0.00 46.19 45.32 3fqw s LEU 266 CO 0.29 -0.31 1.65 -0.65 0.23 0.00 0.00 176.35 177.56 3fqw h PRO 267 N 7.86 0.18 -5.51 1.29 0.11 -1.83 -3.40 132.00 130.70 3fqw h PRO 267 Ca -0.16 -0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.48 3fqw h PRO 267 Cb 1.04 -0.04 -0.24 0.00 0.11 0.00 0.00 31.00 31.88 3fqw h PRO 267 CO 0.53 0.12 -0.80 0.15 -0.21 0.00 0.00 178.00 177.79 3fqw s LYS 268 N -6.01 0.98 0.61 1.05 1.02 -1.26 -5.13 119.74 111.00 3fqw s LYS 268 Ca -0.13 -0.86 -0.19 0.00 0.02 0.00 0.00 55.97 54.81 3fqw s LYS 268 Cb 0.24 -1.03 -0.04 0.00 -0.52 0.00 0.00 37.83 36.48 3fqw s LYS 268 CO 0.76 0.25 1.11 -2.30 -0.92 0.00 0.00 175.35 174.25 3fqw n PRO 269 N 1.68 1.05 -3.55 -1.68 -0.02 -1.26 -4.99 135.00 126.23 3fqw n PRO 269 Ca -0.19 0.40 -0.32 0.00 -2.02 0.00 0.00 63.50 61.38 3fqw n PRO 269 Cb 0.54 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 3fqw n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fqw s LEU 270 N -2.86 4.22 -0.11 2.45 1.43 -0.38 -4.90 118.68 118.53 3fqw s LEU 270 Ca 0.77 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 3fqw s LEU 270 Cb -0.41 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.33 3fqw s LEU 270 CO 0.45 -0.01 -0.17 -0.89 0.23 0.00 0.00 176.35 175.96 3fqw s THR 271 N -1.74 1.61 0.00 5.49 2.01 -1.26 -0.74 115.64 121.02 3fqw s THR 271 Ca 0.44 -0.72 0.07 0.00 0.31 0.00 0.00 61.69 61.79 3fqw s THR 271 Cb -0.12 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 3fqw s THR 271 CO 0.23 0.46 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.65 3fqw s LEU 272 N 0.87 2.37 0.12 4.42 1.02 0.57 -4.95 118.68 123.10 3fqw s LEU 272 Ca -0.08 -0.42 0.06 0.00 0.02 0.00 0.00 54.13 53.70 3fqw s LEU 272 Cb -0.15 -1.42 -0.04 0.00 0.02 0.00 0.00 46.19 44.60 3fqw s LEU 272 CO -0.00 0.30 -0.14 -0.13 0.02 0.00 0.00 176.35 176.40 3fqw s ARG 273 N -0.98 0.99 0.28 1.70 0.52 -1.26 -0.61 118.95 119.59 3fqw s ARG 273 Ca 0.12 -1.21 -0.29 0.00 -0.52 0.00 0.00 55.73 53.82 3fqw s ARG 273 Cb -0.10 -0.86 -0.10 0.00 0.52 0.00 0.00 34.95 34.40 3fqw s ARG 273 CO 0.02 0.17 1.39 -0.46 0.02 0.00 0.00 175.30 176.43 3fqw s TRP 274 N -2.10 3.02 -1.54 -0.53 -0.00 -1.26 -4.94 118.94 111.58 3fqw s TRP 274 Ca 0.08 1.19 0.00 0.00 -0.00 0.00 0.00 56.10 57.36 3fqw s TRP 274 Cb -0.05 -3.77 0.00 0.00 -0.00 0.00 0.00 33.47 29.65 3fqw s TRP 274 CO 0.03 -2.35 0.38 -0.85 -0.00 0.00 0.00 176.95 174.16