#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fqx s SER 2 N 0.00 5.00 0.09 1.61 0.01 -1.26 -3.85 113.70 115.30 3fqx s SER 2 Ca 0.00 1.48 -0.04 0.00 1.31 0.00 0.00 55.95 58.71 3fqx s SER 2 Cb 0.00 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 3fqx s SER 2 CO 0.00 -1.67 0.08 -1.00 0.41 0.00 0.00 173.24 171.06 3fqx s HIS 3 N -3.09 0.52 0.04 2.43 0.09 -0.30 -4.95 115.29 110.03 3fqx s HIS 3 Ca 0.59 -0.98 -0.05 0.00 -0.00 0.00 0.00 55.06 54.62 3fqx s HIS 3 Cb -0.14 -0.30 -0.01 0.00 -0.00 0.00 0.00 32.58 32.12 3fqx s HIS 3 CO 0.55 -0.50 0.09 -1.54 -0.00 0.00 0.00 174.74 173.34 3fqx s SER 4 N -2.95 0.19 -0.05 1.40 1.04 -1.26 -0.33 113.70 111.74 3fqx s SER 4 Ca 0.13 -0.56 0.05 0.00 0.48 0.00 0.00 55.95 56.04 3fqx s SER 4 Cb 0.07 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 3fqx s SER 4 CO -0.06 -0.52 -0.20 -0.32 0.98 0.00 0.00 173.24 173.13 3fqx s MET 5 N -2.70 2.08 0.01 4.02 1.75 -0.51 -0.68 119.30 123.28 3fqx s MET 5 Ca -0.04 -0.71 0.01 0.00 -1.25 0.00 0.00 55.69 53.69 3fqx s MET 5 Cb -0.01 -1.78 -0.01 0.00 2.84 0.00 0.00 34.83 35.88 3fqx s MET 5 CO -0.05 0.28 -0.03 1.03 -0.65 0.00 0.00 175.02 175.60 3fqx s ARG 6 N -0.00 0.25 -0.01 4.11 0.52 -0.46 -1.65 118.95 121.72 3fqx s ARG 6 Ca -0.05 -0.30 0.08 0.00 -0.52 0.00 0.00 55.73 54.94 3fqx s ARG 6 Cb -0.13 -0.12 -0.02 0.00 0.52 0.00 0.00 34.95 35.21 3fqx s ARG 6 CO 0.03 0.02 -0.24 0.71 0.02 0.00 0.00 175.30 175.84 3fqx s TYR 7 N -0.57 2.13 -0.08 -0.53 2.02 0.05 -0.62 117.35 119.75 3fqx s TYR 7 Ca -0.05 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.28 3fqx s TYR 7 Cb -0.04 -1.35 0.01 0.00 -0.40 0.00 0.00 41.96 40.17 3fqx s TYR 7 CO -0.00 -0.01 -0.15 -0.06 -1.57 0.00 0.00 175.55 173.76 3fqx s PHE 8 N -0.61 1.74 -0.05 2.71 0.08 -0.03 -1.75 117.98 120.07 3fqx s PHE 8 Ca 0.09 -0.69 0.04 0.00 0.12 0.00 0.00 56.93 56.50 3fqx s PHE 8 Cb -0.09 -1.24 -0.00 0.00 -0.57 0.00 0.00 43.02 41.11 3fqx s PHE 8 CO -0.00 -0.33 -0.17 -0.06 -0.10 0.00 0.00 175.22 174.55 3fqx s PHE 9 N 0.65 1.80 -0.06 0.36 0.08 0.54 -1.27 117.98 120.08 3fqx s PHE 9 Ca -0.14 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.35 3fqx s PHE 9 Cb -0.16 -1.23 0.02 0.00 -0.57 0.00 0.00 43.02 41.08 3fqx s PHE 9 CO 0.04 -0.22 -0.10 0.99 -0.10 0.00 0.00 175.22 175.83 3fqx s THR 10 N 0.18 0.99 -0.07 0.64 2.01 -0.08 -1.13 115.64 118.18 3fqx s THR 10 Ca -0.08 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.58 3fqx s THR 10 Cb -0.13 -0.93 -0.00 0.00 0.01 0.00 0.00 72.50 71.45 3fqx s THR 10 CO 0.03 0.33 -0.20 -0.44 -0.69 0.00 0.00 174.62 173.65 3fqx s SER 11 N 0.78 2.52 -0.15 3.53 0.01 -0.09 -1.11 113.70 119.20 3fqx s SER 11 Ca -0.13 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.70 3fqx s SER 11 Cb -0.15 -0.94 0.02 0.00 0.21 0.00 0.00 66.02 65.16 3fqx s SER 11 CO 0.02 0.15 -0.13 -0.69 0.41 0.00 0.00 173.24 173.00 3fqx s VAL 12 N 0.23 1.49 0.62 3.43 1.01 0.03 -1.12 120.40 126.09 3fqx s VAL 12 Ca -0.11 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 3fqx s VAL 12 Cb -0.15 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3fqx s VAL 12 CO 0.05 0.43 1.09 -0.94 0.00 0.00 0.00 175.10 175.73 3fqx s SER 13 N 1.52 5.48 -0.53 3.32 1.04 -0.10 -1.34 113.70 123.10 3fqx s SER 13 Ca 0.05 1.93 0.04 0.00 0.48 0.00 0.00 55.95 58.45 3fqx s SER 13 Cb -0.13 -2.54 0.17 0.00 0.10 0.00 0.00 66.02 63.61 3fqx s SER 13 CO -0.10 -1.37 0.40 -0.13 0.98 0.00 0.00 173.24 173.01 3fqx s ARG 14 N -4.02 1.52 0.54 4.02 1.81 -1.26 -4.38 118.95 117.18 3fqx s ARG 14 Ca 0.66 -2.58 0.21 0.00 -1.72 0.00 0.00 55.73 52.29 3fqx s ARG 14 Cb -0.19 -2.22 1.40 0.00 -0.45 0.00 0.00 34.95 33.49 3fqx s ARG 14 CO 0.38 -1.34 2.12 -1.35 -0.68 0.00 0.00 175.30 174.43 3fqx h PRO 15 N 5.58 0.00 -0.18 3.54 0.11 -1.85 -2.67 132.00 136.53 3fqx h PRO 15 Ca 0.21 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.19 3fqx h PRO 15 Cb 0.85 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 3fqx h PRO 15 CO 0.51 0.00 -0.44 0.78 -0.21 0.00 0.00 178.00 178.63 3fqx h GLY 16 N 0.00 0.49 -6.51 -0.55 0.00 -1.91 -3.46 103.07 91.14 3fqx h GLY 16 Ca 0.07 -0.51 0.19 0.00 0.00 0.00 0.00 47.33 47.09 3fqx h GLY 16 CO -0.00 0.46 0.76 -1.60 0.00 0.00 0.00 176.54 176.16 3fqx s ARG 17 N -4.14 0.08 0.87 4.80 3.52 -1.01 -5.17 118.95 117.90 3fqx s ARG 17 Ca -0.06 0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.66 3fqx s ARG 17 Cb 0.12 0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.54 3fqx s ARG 17 CO 0.81 -0.01 0.00 0.41 -0.81 0.00 0.00 175.30 175.70 3fqx n GLY 18 N 2.65 -1.81 3.95 8.12 0.00 -1.26 -4.83 105.19 112.01 3fqx n GLY 18 Ca -0.15 -1.64 -0.19 0.00 0.00 0.00 0.00 46.02 44.04 3fqx n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fqx s GLU 19 N 0.00 2.63 0.57 1.61 2.02 -1.26 -4.66 118.70 119.61 3fqx s GLU 19 Ca 0.00 -1.44 -0.20 0.00 0.02 0.00 0.00 54.97 53.36 3fqx s GLU 19 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 3fqx s GLU 19 CO 0.00 -0.31 1.22 -2.14 0.02 0.00 0.00 175.26 174.04 3fqx s PRO 20 N -4.29 3.11 0.08 0.39 0.02 -1.26 -4.51 135.00 128.54 3fqx s PRO 20 Ca 0.52 1.86 -0.31 0.00 0.02 0.00 0.00 61.00 63.10 3fqx s PRO 20 Cb -0.06 -2.03 -0.07 0.00 0.02 0.00 0.00 34.50 32.35 3fqx s PRO 20 CO 0.31 -1.10 1.34 0.50 -0.33 0.00 0.00 177.00 177.72 3fqx s ARG 21 N -3.19 4.34 -0.10 5.54 6.06 -0.45 -4.83 118.95 126.32 3fqx s ARG 21 Ca 0.75 1.98 0.01 0.00 -2.50 0.00 0.00 55.73 55.97 3fqx s ARG 21 Cb -0.31 -3.33 0.02 0.00 0.06 0.00 0.00 34.95 31.39 3fqx s ARG 21 CO 0.35 -0.41 -0.12 0.12 -2.50 0.00 0.00 175.30 172.74 3fqx s PHE 22 N 1.30 1.66 -0.07 5.12 5.36 -1.26 -0.79 117.98 129.31 3fqx s PHE 22 Ca 0.63 -0.75 0.01 0.00 -0.96 0.00 0.00 56.93 55.86 3fqx s PHE 22 Cb -0.34 -1.25 0.02 0.00 -0.34 0.00 0.00 43.02 41.11 3fqx s PHE 22 CO 0.29 -0.42 -0.08 0.42 -1.46 0.00 0.00 175.22 173.97 3fqx s ILE 23 N 1.09 0.85 -0.03 3.12 1.01 -0.27 -0.90 121.20 126.08 3fqx s ILE 23 Ca -0.06 -0.27 0.06 0.00 0.00 0.00 0.00 60.65 60.38 3fqx s ILE 23 Cb -0.14 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 3fqx s ILE 23 CO -0.02 0.31 -0.20 0.00 0.00 0.00 0.00 174.94 175.02 3fqx s ALA 24 N 1.06 1.73 0.03 9.38 0.00 0.15 -0.90 121.76 133.20 3fqx s ALA 24 Ca -0.08 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.03 3fqx s ALA 24 Cb -0.14 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 3fqx s ALA 24 CO -0.01 0.39 -0.08 0.14 0.00 0.00 0.00 175.76 176.21 3fqx s VAL 25 N -0.36 0.57 0.02 0.00 -7.23 -0.40 -0.73 120.40 112.27 3fqx s VAL 25 Ca 0.05 -0.79 0.08 0.00 -1.81 0.00 0.00 61.98 59.51 3fqx s VAL 25 Cb -0.09 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 36.25 3fqx s VAL 25 CO 0.00 -0.18 -0.24 -0.83 -0.31 0.00 0.00 175.10 173.54 3fqx s GLY 26 N -1.06 1.39 0.05 2.32 0.00 -0.71 -0.85 107.32 108.45 3fqx s GLY 26 Ca -0.05 -1.19 0.06 0.00 0.00 0.00 0.00 44.72 43.54 3fqx s GLY 26 CO 0.00 -1.05 -0.16 -0.19 0.00 0.00 0.00 173.10 171.71 3fqx s TYR 27 N -0.75 1.41 -0.20 1.90 1.51 0.21 -0.75 117.35 120.67 3fqx s TYR 27 Ca 0.11 -0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 55.78 3fqx s TYR 27 Cb -0.10 -0.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.91 3fqx s TYR 27 CO 0.01 0.06 -0.06 0.08 -1.11 0.00 0.00 175.55 174.54 3fqx s VAL 28 N -0.87 3.35 0.00 0.71 1.01 -0.31 -1.35 120.40 122.93 3fqx s VAL 28 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3fqx s VAL 28 Cb -0.08 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.80 3fqx s VAL 28 CO 0.02 0.45 0.00 0.47 0.00 0.00 0.00 175.10 176.03 3fqx n ASP 29 N 4.49 0.00 -2.02 3.32 8.00 0.14 -1.09 116.55 129.39 3fqx n ASP 29 Ca -0.18 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.18 3fqx n ASP 29 Cb 0.51 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.85 3fqx n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3fqx n ASP 30 N 3.92 4.16 -4.15 -2.24 8.00 -1.26 -4.88 116.55 120.10 3fqx n ASP 30 Ca 0.00 -3.44 -0.33 0.00 0.71 0.00 0.00 54.79 51.73 3fqx n ASP 30 Cb 0.00 -0.78 -0.15 0.00 -0.02 0.00 0.00 41.12 40.17 3fqx n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3fqx s THR 31 N -3.15 2.48 0.24 -3.53 2.01 -0.25 -5.01 115.64 108.43 3fqx s THR 31 Ca 0.55 -1.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.13 3fqx s THR 31 Cb 0.45 -2.24 -0.09 0.00 0.01 0.00 0.00 72.50 70.63 3fqx s THR 31 CO 0.11 0.26 1.29 -1.58 -0.69 0.00 0.00 174.62 174.01 3fqx s GLN 32 N 1.27 4.41 0.00 4.92 0.74 -1.26 -1.17 119.66 128.57 3fqx s GLN 32 Ca -0.00 2.06 0.00 0.00 0.05 0.00 0.00 55.36 57.47 3fqx s GLN 32 Cb -0.16 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.78 3fqx s GLN 32 CO -0.07 -0.19 0.00 1.97 -0.55 0.00 0.00 175.29 176.45 3fqx n PHE 33 N 2.09 0.00 -4.02 1.67 -1.74 0.07 -4.26 117.46 111.27 3fqx n PHE 33 Ca 0.04 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.85 3fqx n PHE 33 Cb 0.43 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.34 3fqx n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3fqx s VAL 34 N -1.22 0.16 0.05 1.97 -7.23 -1.21 -0.12 120.40 112.80 3fqx s VAL 34 Ca 0.00 -1.60 -0.19 0.00 -1.81 0.00 0.00 61.98 58.38 3fqx s VAL 34 Cb 0.00 -1.58 0.04 0.00 0.56 0.00 0.00 36.38 35.40 3fqx s VAL 34 CO 0.00 -0.74 0.43 0.00 -0.31 0.00 0.00 175.10 174.48 3fqx s ARG 35 N -3.93 0.95 -0.03 4.82 1.04 -0.70 -1.74 118.95 119.36 3fqx s ARG 35 Ca 0.10 -0.34 0.01 0.00 -1.04 0.00 0.00 55.73 54.45 3fqx s ARG 35 Cb 0.07 0.43 0.02 0.00 -2.04 0.00 0.00 34.95 33.42 3fqx s ARG 35 CO -0.07 -0.33 -0.01 0.12 -0.04 0.00 0.00 175.30 174.96 3fqx s PHE 36 N -2.50 0.39 -0.09 5.89 5.36 0.10 -0.55 117.98 126.58 3fqx s PHE 36 Ca -0.05 -0.05 -0.01 0.00 -0.96 0.00 0.00 56.93 55.86 3fqx s PHE 36 Cb -0.01 -0.42 0.03 0.00 -0.34 0.00 0.00 43.02 42.28 3fqx s PHE 36 CO -0.02 -0.12 -0.04 0.34 -1.46 0.00 0.00 175.22 173.92 3fqx s ASP 37 N 0.79 1.88 0.59 6.13 -1.08 -1.26 -0.68 116.67 123.04 3fqx s ASP 37 Ca -0.08 -0.20 0.29 0.00 -0.52 0.00 0.00 52.55 52.04 3fqx s ASP 37 Cb -0.12 -0.65 1.75 0.00 -1.46 0.00 0.00 42.92 42.44 3fqx s ASP 37 CO -0.01 -0.15 2.20 0.77 0.52 0.00 0.00 175.17 178.50 3fqx h SER 38 N 8.21 0.00 1.32 -0.34 4.64 -1.41 -1.00 113.55 124.98 3fqx h SER 38 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3fqx h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3fqx h SER 38 CO 0.34 0.00 -0.01 0.47 -0.87 0.00 0.00 176.83 176.76 3fqx n ASP 39 N -3.86 0.56 -4.90 4.97 9.92 -1.26 -4.89 116.55 117.10 3fqx n ASP 39 Ca -0.01 0.55 -0.29 0.00 -0.53 0.00 0.00 54.79 54.50 3fqx n ASP 39 Cb 0.16 -0.69 0.06 0.00 -0.64 0.00 0.00 41.12 40.01 3fqx n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fqx s ALA 40 N -3.07 2.92 0.10 2.24 0.00 -0.38 -5.01 121.76 118.57 3fqx s ALA 40 Ca 0.12 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.56 3fqx s ALA 40 Cb 0.14 -2.90 -0.24 0.00 0.00 0.00 0.00 23.12 20.12 3fqx s ALA 40 CO 0.58 -1.24 1.22 0.00 0.00 0.00 0.00 175.76 176.32 3fqx h ALA 41 N -0.68 0.24 -0.40 0.00 0.00 -1.90 -3.36 119.26 113.17 3fqx h ALA 41 Ca -0.45 -0.90 -0.09 0.00 0.00 0.00 0.00 54.91 53.47 3fqx h ALA 41 Cb 1.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3fqx h ALA 41 CO 0.64 1.13 -0.13 0.66 0.00 0.00 0.00 179.25 181.54 3fqx h SER 42 N 0.03 0.71 -4.13 0.00 4.64 -1.95 -3.46 113.55 109.40 3fqx h SER 42 Ca -0.06 -0.22 -0.35 0.00 -0.47 0.00 0.00 61.79 60.69 3fqx h SER 42 Cb 1.86 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.74 3fqx h SER 42 CO 0.16 0.87 -0.49 0.00 -0.87 0.00 0.00 176.83 176.50 3fqx n GLN 43 N -4.16 -3.02 -4.27 4.77 1.13 -1.26 -4.99 117.38 105.58 3fqx n GLN 43 Ca 0.01 0.75 -0.17 0.00 -1.94 0.00 0.00 57.00 55.65 3fqx n GLN 43 Cb 0.37 -5.46 -0.10 0.00 0.11 0.00 0.00 30.24 25.16 3fqx n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3fqx s ARG 44 N -5.40 1.12 0.23 -1.09 0.52 -1.26 -5.04 118.95 108.04 3fqx s ARG 44 Ca 0.16 -1.41 -0.30 0.00 -0.52 0.00 0.00 55.73 53.66 3fqx s ARG 44 Cb -0.08 -0.88 -0.10 0.00 0.52 0.00 0.00 34.95 34.41 3fqx s ARG 44 CO 0.19 0.15 1.48 1.41 0.02 0.00 0.00 175.30 178.55 3fqx s MET 45 N -3.28 4.24 0.07 3.54 -2.45 -1.26 -4.65 119.30 115.51 3fqx s MET 45 Ca 0.15 2.33 0.10 0.00 -1.25 0.00 0.00 55.69 57.02 3fqx s MET 45 Cb -0.01 -3.11 -0.03 0.00 1.25 0.00 0.00 34.83 32.92 3fqx s MET 45 CO 0.03 -0.48 -0.26 -1.21 1.05 0.00 0.00 175.02 174.15 3fqx s GLU 46 N -0.02 1.64 0.43 4.11 2.02 0.29 -4.90 118.70 122.27 3fqx s GLU 46 Ca 0.62 -1.18 -0.23 0.00 0.02 0.00 0.00 54.97 54.20 3fqx s GLU 46 Cb -0.43 -1.92 -0.08 0.00 0.10 0.00 0.00 34.13 31.80 3fqx s GLU 46 CO 0.41 0.48 1.10 -1.25 0.02 0.00 0.00 175.26 176.01 3fqx s PRO 47 N -1.51 3.96 0.00 0.39 0.04 -1.26 -1.72 135.00 134.90 3fqx s PRO 47 Ca 0.12 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3fqx s PRO 47 Cb -0.10 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.99 3fqx s PRO 47 CO 0.03 -0.34 0.51 0.54 0.04 0.00 0.00 177.00 177.79 3fqx n ARG 48 N -0.32 0.53 -3.92 4.56 5.12 0.83 -4.85 116.66 118.61 3fqx n ARG 48 Ca 0.06 -0.61 -0.11 0.00 -1.93 0.00 0.00 57.85 55.27 3fqx n ARG 48 Cb 0.49 -0.63 -0.13 0.00 -1.16 0.00 0.00 32.46 31.03 3fqx n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fqx s ALA 49 N -0.20 0.05 0.37 7.54 0.00 -1.22 -4.67 121.76 123.63 3fqx s ALA 49 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 51.96 51.76 3fqx s ALA 49 Cb 0.00 0.06 0.74 0.00 0.00 0.00 0.00 23.12 23.92 3fqx s ALA 49 CO 0.00 -0.07 2.02 -1.35 0.00 0.00 0.00 175.76 176.36 3fqx h PRO 50 N 5.51 0.71 0.00 0.00 0.11 -1.95 -2.31 132.00 134.07 3fqx h PRO 50 Ca -0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3fqx h PRO 50 Cb 1.21 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3fqx h PRO 50 CO 0.47 0.47 0.00 -2.67 -0.21 0.00 0.00 178.00 176.06 3fqx n TRP 51 N -4.46 0.04 0.45 0.65 4.27 -1.26 -2.02 117.44 115.12 3fqx n TRP 51 Ca 0.06 0.02 0.11 0.00 -3.89 0.00 0.00 57.50 53.80 3fqx n TRP 51 Cb 0.08 -0.53 -0.03 0.00 -1.36 0.00 0.00 31.31 29.48 3fqx n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 3fqx n ILE 52 N -1.54 0.17 0.26 -1.67 0.13 -0.87 -4.35 119.36 111.50 3fqx n ILE 52 Ca 0.04 -0.30 0.11 0.00 -1.10 0.00 0.00 62.75 61.50 3fqx n ILE 52 Cb 0.21 0.18 0.73 0.00 -0.84 0.00 0.00 39.64 39.91 3fqx n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 3fqx h GLU 53 N 0.00 0.00 0.00 9.51 5.08 -1.45 -1.69 114.58 126.03 3fqx h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fqx h GLU 53 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3fqx h GLU 53 CO 0.00 0.08 0.00 -0.56 -1.00 0.00 0.00 179.01 177.53 3fqx h GLN 54 N 0.00 0.00 -6.96 2.33 3.07 -1.76 -3.44 115.11 108.35 3fqx h GLN 54 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 58.20 3fqx h GLN 54 Cb 0.19 0.00 0.11 0.00 0.08 0.00 0.00 27.48 27.85 3fqx h GLN 54 CO 0.01 0.00 0.69 -1.21 0.09 0.00 0.00 178.83 178.41 3fqx s GLU 55 N -3.36 3.88 0.85 0.06 0.41 -0.64 -4.99 118.70 114.91 3fqx s GLU 55 Ca 0.03 2.38 -0.10 0.00 -0.41 0.00 0.00 54.97 56.88 3fqx s GLU 55 Cb 0.09 -2.77 0.15 0.00 -1.78 0.00 0.00 34.13 29.83 3fqx s GLU 55 CO 0.39 -0.65 1.17 0.20 -0.49 0.00 0.00 175.26 175.88 3fqx s GLY 56 N -0.48 1.76 0.42 -1.39 0.00 -1.26 -4.84 107.32 101.52 3fqx s GLY 56 Ca 0.58 -1.32 0.12 0.00 0.00 0.00 0.00 44.72 44.09 3fqx s GLY 56 CO 0.56 -0.67 1.98 -2.55 0.00 0.00 0.00 173.10 172.41 3fqx h PRO 57 N -1.13 0.47 -0.86 2.90 0.11 -1.98 -0.61 132.00 130.90 3fqx h PRO 57 Ca -0.42 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3fqx h PRO 57 Cb 1.26 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 3fqx h PRO 57 CO 0.43 0.31 0.53 1.49 -0.21 0.00 0.00 178.00 180.54 3fqx h GLU 58 N 0.48 1.16 0.46 1.05 4.81 -1.99 -0.26 114.58 120.30 3fqx h GLU 58 Ca 0.28 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3fqx h GLU 58 Cb 0.46 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3fqx h GLU 58 CO -0.08 0.81 -0.22 -0.92 -0.73 0.00 0.00 179.01 177.86 3fqx h TYR 59 N 1.18 -0.58 -0.54 0.92 5.03 -1.47 -1.91 116.97 119.60 3fqx h TYR 59 Ca 0.31 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.58 3fqx h TYR 59 Cb -0.06 0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.38 3fqx h TYR 59 CO -0.00 -0.31 0.22 -1.49 -1.32 0.00 0.00 178.16 175.26 3fqx h TRP 60 N -0.72 0.78 -0.35 -3.82 4.06 -1.29 -0.19 115.95 114.42 3fqx h TRP 60 Ca -0.06 -0.04 -0.04 0.00 2.06 0.00 0.00 58.89 60.81 3fqx h TRP 60 Cb 0.53 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 3fqx h TRP 60 CO -0.02 0.61 0.08 0.22 -3.56 0.00 0.00 178.44 175.76 3fqx h ASP 61 N 0.77 0.54 -0.32 -3.49 3.58 -0.99 -1.50 116.42 115.01 3fqx h ASP 61 Ca 0.19 -0.24 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 3fqx h ASP 61 Cb 0.15 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3fqx h ASP 61 CO -0.02 0.64 0.00 1.23 -2.88 0.00 0.00 179.24 178.22 3fqx h GLY 62 N 0.42 0.61 1.00 -0.78 0.00 -0.89 -0.34 103.07 103.09 3fqx h GLY 62 Ca 0.11 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.00 3fqx h GLY 62 CO 0.00 0.41 0.38 0.83 0.00 0.00 0.00 176.54 178.16 3fqx h GLU 63 N 0.36 0.74 -0.02 4.80 4.39 -1.04 -0.60 114.58 123.23 3fqx h GLU 63 Ca 0.09 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 3fqx h GLU 63 Cb 0.44 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3fqx h GLU 63 CO 0.02 0.49 0.01 1.15 -1.16 0.00 0.00 179.01 179.52 3fqx h THR 64 N 0.77 1.06 -0.42 1.13 2.02 -1.14 -0.16 112.91 116.18 3fqx h THR 64 Ca 0.21 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.26 3fqx h THR 64 Cb -0.09 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 3fqx h THR 64 CO -0.05 0.05 0.11 -0.09 0.37 0.00 0.00 175.52 175.92 3fqx h ARG 65 N -0.05 0.25 -0.46 6.66 2.43 -0.86 -0.17 114.38 122.19 3fqx h ARG 65 Ca 0.01 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3fqx h ARG 65 Cb 0.07 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3fqx h ARG 65 CO -0.00 0.17 -0.01 0.87 -1.51 0.00 0.00 179.97 179.49 3fqx h LYS 66 N 0.26 0.81 -0.07 0.20 1.57 -0.94 -1.77 116.57 116.62 3fqx h LYS 66 Ca 0.20 -0.26 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 3fqx h LYS 66 Cb 0.22 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3fqx h LYS 66 CO -0.23 0.87 -0.65 -0.39 -0.57 0.00 0.00 179.45 178.48 3fqx h VAL 67 N 0.66 1.40 -0.49 0.50 -1.51 -0.73 -0.34 116.25 115.74 3fqx h VAL 67 Ca 0.13 -2.07 -0.09 0.00 -1.23 0.00 0.00 66.70 63.44 3fqx h VAL 67 Cb 0.51 2.06 -0.02 0.00 -2.13 0.00 0.00 31.29 31.71 3fqx h VAL 67 CO 0.02 0.61 -0.06 0.11 -1.23 0.00 0.00 177.57 177.03 3fqx h LYS 68 N 0.19 0.85 -0.70 5.19 1.57 -0.97 -1.57 116.57 121.14 3fqx h LYS 68 Ca -0.01 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 3fqx h LYS 68 Cb 1.18 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.38 3fqx h LYS 68 CO 0.10 0.89 0.24 0.00 -0.57 0.00 0.00 179.45 180.12 3fqx h ALA 69 N 1.15 0.91 -0.71 3.86 0.00 -0.96 -2.13 119.26 121.38 3fqx h ALA 69 Ca 0.14 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3fqx h ALA 69 Cb 0.55 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 3fqx h ALA 69 CO 0.03 0.57 0.37 0.45 0.00 0.00 0.00 179.25 180.67 3fqx h HIS 70 N 1.01 0.67 -0.91 0.00 3.86 -0.67 -0.87 115.15 118.23 3fqx h HIS 70 Ca 0.23 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 3fqx h HIS 70 Cb 0.26 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 28.50 3fqx h HIS 70 CO 0.02 0.27 0.55 1.03 0.86 0.00 0.00 177.93 180.66 3fqx h SER 71 N 0.65 1.09 -0.09 2.45 0.87 -0.67 -0.81 113.55 117.04 3fqx h SER 71 Ca 0.34 -0.06 -0.20 0.00 -1.23 0.00 0.00 61.79 60.64 3fqx h SER 71 Cb 0.31 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3fqx h SER 71 CO -0.24 0.84 -0.68 1.56 -0.53 0.00 0.00 176.83 177.77 3fqx h GLN 72 N 1.26 0.72 -0.53 2.24 1.08 -0.86 -1.15 115.11 117.87 3fqx h GLN 72 Ca 0.33 -0.53 0.02 0.00 -1.45 0.00 0.00 58.65 57.01 3fqx h GLN 72 Cb -0.06 0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 3fqx h GLN 72 CO -0.06 1.15 0.33 1.15 -0.95 0.00 0.00 178.83 180.45 3fqx h THR 73 N 0.51 1.08 -0.63 -0.54 2.02 -0.79 -1.66 112.91 112.91 3fqx h THR 73 Ca -0.02 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 3fqx h THR 73 Cb 1.29 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 3fqx h THR 73 CO 0.14 0.12 0.19 0.45 0.37 0.00 0.00 175.52 176.78 3fqx h HIS 74 N 0.67 1.00 -0.26 3.16 3.86 -1.03 -0.19 115.15 122.36 3fqx h HIS 74 Ca 0.21 -0.09 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 3fqx h HIS 74 Cb -0.01 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.14 3fqx h HIS 74 CO -0.05 0.80 0.11 -0.09 0.86 0.00 0.00 177.93 179.57 3fqx h ARG 75 N 0.93 0.24 -0.59 2.45 2.43 -0.76 -0.18 114.38 118.91 3fqx h ARG 75 Ca 0.21 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3fqx h ARG 75 Cb 0.28 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3fqx h ARG 75 CO -0.01 0.16 0.28 0.28 -1.51 0.00 0.00 179.97 179.17 3fqx h VAL 76 N 0.25 1.21 -0.92 0.20 2.07 -1.05 -2.82 116.25 115.18 3fqx h VAL 76 Ca 0.11 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.08 3fqx h VAL 76 Cb 0.04 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 3fqx h VAL 76 CO -0.08 0.24 0.59 0.44 0.02 0.00 0.00 177.57 178.78 3fqx h ASP 77 N 0.80 0.94 -0.96 0.57 3.32 -0.61 -0.33 116.42 120.14 3fqx h ASP 77 Ca 0.20 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.30 3fqx h ASP 77 Cb 0.13 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.43 3fqx h ASP 77 CO -0.02 0.61 0.63 -0.07 -1.72 0.00 0.00 179.24 178.66 3fqx h LEU 78 N 1.08 1.04 -0.22 1.55 3.38 -0.79 0.15 115.31 121.50 3fqx h LEU 78 Ca 0.40 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 3fqx h LEU 78 Cb 0.14 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3fqx h LEU 78 CO -0.16 0.70 0.04 1.23 0.09 0.00 0.00 178.44 180.34 3fqx h GLY 79 N 1.20 0.39 0.93 0.83 0.00 -1.06 -1.69 103.07 103.66 3fqx h GLY 79 Ca 0.39 -0.25 0.02 0.00 0.00 0.00 0.00 47.33 47.49 3fqx h GLY 79 CO -0.13 0.23 0.40 -0.84 0.00 0.00 0.00 176.54 176.20 3fqx h THR 80 N 0.17 1.12 -0.37 4.70 2.02 -0.52 -2.46 112.91 117.57 3fqx h THR 80 Ca 0.07 -0.27 -0.13 0.00 0.77 0.00 0.00 66.41 66.84 3fqx h THR 80 Cb 0.30 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3fqx h THR 80 CO 0.00 0.15 -0.30 -0.07 0.37 0.00 0.00 175.52 175.67 3fqx h LEU 81 N 0.80 0.83 -0.67 2.58 3.38 -0.67 0.12 115.31 121.67 3fqx h LEU 81 Ca 0.24 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 57.97 3fqx h LEU 81 Cb -0.03 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.41 3fqx h LEU 81 CO -0.08 1.07 0.30 -0.09 0.09 0.00 0.00 178.44 179.73 3fqx h ARG 82 N 0.67 0.50 -0.17 1.13 2.43 -1.05 -1.53 114.38 116.36 3fqx h ARG 82 Ca 0.08 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3fqx h ARG 82 Cb 0.84 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 3fqx h ARG 82 CO 0.07 0.33 0.01 0.78 -1.51 0.00 0.00 179.97 179.65 3fqx h GLY 83 N 0.52 0.31 0.39 2.80 0.00 -0.92 -0.21 103.07 105.96 3fqx h GLY 83 Ca 0.33 -0.22 0.13 0.00 0.00 0.00 0.00 47.33 47.58 3fqx h GLY 83 CO -0.29 0.20 0.60 -0.97 0.00 0.00 0.00 176.54 176.09 3fqx h TYR 84 N 0.05 1.08 -0.64 5.60 0.05 -0.61 -1.80 116.97 120.69 3fqx h TYR 84 Ca 0.05 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3fqx h TYR 84 Cb 0.35 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.76 3fqx h TYR 84 CO 0.03 0.38 0.00 0.66 -1.05 0.00 0.00 178.16 178.18 3fqx n TYR 85 N -4.68 0.85 -3.90 4.88 4.01 -0.61 -4.96 117.16 112.76 3fqx n TYR 85 Ca 0.19 -0.43 -0.26 0.00 -0.16 0.00 0.00 57.90 57.24 3fqx n TYR 85 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 3fqx n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3fqx n ASN 86 N 1.46 -1.89 -4.95 7.72 3.02 -0.65 -4.96 115.26 115.01 3fqx n ASN 86 Ca 0.22 -0.90 -0.24 0.00 -0.03 0.00 0.00 54.58 53.63 3fqx n ASN 86 Cb 0.57 -3.50 -0.02 0.00 -0.61 0.00 0.00 39.78 36.21 3fqx n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3fqx s GLN 87 N -6.44 3.47 0.69 3.52 -0.21 -0.18 -5.04 119.66 115.48 3fqx s GLN 87 Ca 0.23 -0.52 -0.14 0.00 0.02 0.00 0.00 55.36 54.95 3fqx s GLN 87 Cb -0.12 -2.83 0.02 0.00 1.00 0.00 0.00 33.01 31.08 3fqx s GLN 87 CO 0.86 0.37 1.11 0.45 -2.12 0.00 0.00 175.29 175.95 3fqx s SER 88 N -3.68 4.90 0.00 5.90 0.15 -1.26 -4.79 113.70 114.92 3fqx s SER 88 Ca 0.37 1.96 0.30 0.00 0.70 0.00 0.00 55.95 59.27 3fqx s SER 88 Cb -0.10 -2.54 1.68 0.00 -1.71 0.00 0.00 66.02 63.35 3fqx s SER 88 CO 0.31 -1.77 2.08 -0.62 1.20 0.00 0.00 173.24 174.44 3fqx n GLU 89 N -2.75 0.78 0.14 5.44 1.02 -1.26 -4.04 120.64 119.96 3fqx n GLU 89 Ca 0.10 0.01 0.10 0.00 -0.02 0.00 0.00 57.16 57.35 3fqx n GLU 89 Cb 0.52 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.50 3fqx n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3fqx h ALA 90 N 3.72 0.69 -2.65 0.62 0.00 -1.95 -3.44 119.26 116.26 3fqx h ALA 90 Ca 0.00 -0.08 -0.56 0.00 0.00 0.00 0.00 54.91 54.27 3fqx h ALA 90 Cb 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3fqx h ALA 90 CO 0.00 0.09 -0.48 0.20 0.00 0.00 0.00 179.25 179.06 3fqx s GLY 91 N -4.34 1.80 0.14 0.00 0.00 -1.26 -4.79 107.32 98.86 3fqx s GLY 91 Ca 0.02 -1.02 -0.27 0.00 0.00 0.00 0.00 44.72 43.46 3fqx s GLY 91 CO 0.75 -1.01 0.84 -0.45 0.00 0.00 0.00 173.10 173.22 3fqx s SER 92 N -3.08 7.41 0.22 1.64 0.15 -1.26 -4.70 113.70 114.09 3fqx s SER 92 Ca 0.34 1.68 0.03 0.00 0.70 0.00 0.00 55.95 58.71 3fqx s SER 92 Cb -0.11 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 3fqx s SER 92 CO 0.28 0.11 -0.01 -1.00 1.20 0.00 0.00 173.24 173.81 3fqx s HIS 93 N -0.69 1.52 -0.03 3.44 3.76 -1.26 -4.94 115.29 117.08 3fqx s HIS 93 Ca 0.39 -0.92 0.03 0.00 -0.15 0.00 0.00 55.06 54.42 3fqx s HIS 93 Cb -0.23 -0.87 0.00 0.00 1.11 0.00 0.00 32.58 32.59 3fqx s HIS 93 CO 0.27 -0.04 -0.13 0.99 -0.85 0.00 0.00 174.74 174.98 3fqx s THR 94 N -3.43 1.08 -0.06 1.30 2.01 -1.26 -0.92 115.64 114.36 3fqx s THR 94 Ca 0.27 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.78 3fqx s THR 94 Cb 0.05 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 3fqx s THR 94 CO 0.08 0.32 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.51 3fqx s VAL 95 N 0.12 3.14 0.04 3.82 1.01 -0.27 -0.53 120.40 127.72 3fqx s VAL 95 Ca -0.03 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.31 3fqx s VAL 95 Cb -0.10 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 3fqx s VAL 95 CO 0.01 0.58 -0.15 -1.10 0.00 0.00 0.00 175.10 174.45 3fqx s GLN 96 N -0.58 0.99 -0.02 2.72 -0.21 -0.54 -0.91 119.66 121.11 3fqx s GLN 96 Ca 0.08 -0.77 -0.01 0.00 0.02 0.00 0.00 55.36 54.68 3fqx s GLN 96 Cb -0.11 -1.01 0.01 0.00 1.00 0.00 0.00 33.01 32.90 3fqx s GLN 96 CO 0.01 0.25 0.04 0.50 -2.12 0.00 0.00 175.29 173.98 3fqx s ARG 97 N -1.11 0.04 -0.02 2.91 3.52 -0.29 -0.69 118.95 123.31 3fqx s ARG 97 Ca 0.02 0.08 0.01 0.00 -0.13 0.00 0.00 55.73 55.71 3fqx s ARG 97 Cb -0.08 -0.02 0.02 0.00 -1.56 0.00 0.00 34.95 33.31 3fqx s ARG 97 CO 0.01 -0.03 -0.01 1.41 -0.81 0.00 0.00 175.30 175.87 3fqx s MET 98 N 0.19 0.25 0.13 5.12 -2.45 -0.39 -0.34 119.30 121.81 3fqx s MET 98 Ca -0.01 0.01 -0.05 0.00 -1.25 0.00 0.00 55.69 54.39 3fqx s MET 98 Cb -0.02 -0.36 -0.02 0.00 1.25 0.00 0.00 34.83 35.68 3fqx s MET 98 CO -0.01 -0.06 0.14 1.52 1.05 0.00 0.00 175.02 177.67 3fqx s TYR 99 N 0.58 0.57 0.00 4.11 -0.85 -0.72 -0.98 117.35 120.06 3fqx s TYR 99 Ca -0.06 -0.97 0.00 0.00 -0.52 0.00 0.00 57.07 55.52 3fqx s TYR 99 Cb -0.09 -0.27 0.00 0.00 0.38 0.00 0.00 41.96 41.99 3fqx s TYR 99 CO -0.01 -0.58 0.00 0.41 -1.52 0.00 0.00 175.55 173.85 3fqx n GLY 100 N -0.11 -0.60 3.04 5.49 0.00 -0.72 -0.77 105.19 111.52 3fqx n GLY 100 Ca -0.08 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.71 3fqx n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fqx s ASP 102 N -1.04 4.31 0.18 0.00 1.01 -0.17 -1.42 116.67 119.54 3fqx s ASP 102 Ca -0.04 -0.18 0.08 0.00 0.71 0.00 0.00 52.55 53.12 3fqx s ASP 102 Cb -0.07 -0.95 -0.04 0.00 1.01 0.00 0.00 42.92 42.87 3fqx s ASP 102 CO 0.00 0.32 -0.17 0.68 0.21 0.00 0.00 175.17 176.21 3fqx s VAL 103 N -0.86 1.82 0.22 -1.27 -7.23 0.55 -0.48 120.40 113.15 3fqx s VAL 103 Ca 0.14 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.29 3fqx s VAL 103 Cb -0.11 -1.89 0.05 0.00 0.56 0.00 0.00 36.38 34.99 3fqx s VAL 103 CO 0.04 -0.38 0.29 0.61 -0.31 0.00 0.00 175.10 175.35 3fqx n GLY 104 N 0.13 -0.57 0.31 2.32 0.00 -0.60 -1.15 105.19 105.62 3fqx n GLY 104 Ca -0.12 -1.78 0.19 0.00 0.00 0.00 0.00 46.02 44.31 3fqx n GLY 104 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fqx h SER 105 N -0.33 0.00 -0.25 1.61 4.64 -1.91 0.13 113.55 117.44 3fqx h SER 105 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3fqx h SER 105 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3fqx h SER 105 CO 0.08 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.16 3fqx n ASP 106 N -3.27 2.00 -0.70 4.97 5.75 -1.26 -4.80 116.55 119.24 3fqx n ASP 106 Ca -0.02 -1.82 -0.09 0.00 -0.01 0.00 0.00 54.79 52.85 3fqx n ASP 106 Cb 0.15 -0.16 -0.04 0.00 -1.03 0.00 0.00 41.12 40.04 3fqx n ASP 106 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3fqx n TRP 107 N 0.55 0.00 -3.18 2.11 7.02 0.47 -4.99 117.44 119.42 3fqx n TRP 107 Ca 0.16 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.32 3fqx n TRP 107 Cb 0.36 -2.21 -0.05 0.00 -2.42 0.00 0.00 31.31 26.99 3fqx n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3fqx s ARG 108 N -2.57 3.87 0.20 -0.99 3.00 -1.26 -4.75 118.95 116.44 3fqx s ARG 108 Ca 0.00 0.46 -0.32 0.00 0.00 0.00 0.00 55.73 55.86 3fqx s ARG 108 Cb 0.00 -2.50 -0.14 0.00 0.00 0.00 0.00 34.95 32.30 3fqx s ARG 108 CO 0.00 0.17 1.34 0.34 0.00 0.00 0.00 175.30 177.15 3fqx n PHE 109 N -0.54 1.85 -0.02 -0.53 7.35 -1.26 -1.56 117.46 122.74 3fqx n PHE 109 Ca 0.02 0.51 -0.07 0.00 -0.76 0.00 0.00 57.45 57.15 3fqx n PHE 109 Cb 0.53 -2.40 -0.02 0.00 0.35 0.00 0.00 39.48 37.94 3fqx n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3fqx n LEU 110 N 2.28 0.79 -3.45 -2.13 7.94 0.37 -4.80 117.00 118.01 3fqx n LEU 110 Ca 0.14 0.13 -0.12 0.00 -1.11 0.00 0.00 56.01 55.04 3fqx n LEU 110 Cb 0.28 -0.30 -0.03 0.00 0.53 0.00 0.00 43.42 43.91 3fqx n LEU 110 CO 0.62 -0.07 0.37 0.00 -1.11 0.00 0.00 177.39 177.20 3fqx s ARG 111 N -2.18 1.24 0.16 1.96 1.70 -1.16 -5.00 118.95 115.68 3fqx s ARG 111 Ca -0.10 -0.45 0.07 0.00 -0.47 0.00 0.00 55.73 54.78 3fqx s ARG 111 Cb 0.03 0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 34.94 3fqx s ARG 111 CO 0.13 -0.53 -0.14 0.20 -1.08 0.00 0.00 175.30 173.89 3fqx s GLY 112 N -2.65 1.25 0.02 3.88 0.00 -1.26 -1.00 107.32 107.55 3fqx s GLY 112 Ca 0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 44.72 43.08 3fqx s GLY 112 CO -0.11 -1.58 0.30 -2.52 0.00 0.00 0.00 173.10 169.19 3fqx s TYR 113 N -2.70 -0.13 -0.29 1.90 1.13 -0.44 -4.79 117.35 112.03 3fqx s TYR 113 Ca 0.17 0.06 -0.01 0.00 -1.41 0.00 0.00 57.07 55.88 3fqx s TYR 113 Cb -0.02 0.09 0.18 0.00 -1.10 0.00 0.00 41.96 41.12 3fqx s TYR 113 CO 0.04 -0.46 0.57 -1.58 -2.51 0.00 0.00 175.55 171.61 3fqx s HIS 114 N -2.13 -1.53 0.10 -3.49 2.46 -1.26 -1.75 115.29 107.69 3fqx s HIS 114 Ca -0.08 1.57 0.04 0.00 0.47 0.00 0.00 55.06 57.05 3fqx s HIS 114 Cb -0.02 0.48 -0.04 0.00 -0.13 0.00 0.00 32.58 32.88 3fqx s HIS 114 CO -0.01 -0.87 -0.10 1.14 -2.47 0.00 0.00 174.74 172.43 3fqx s GLN 115 N 2.82 0.85 -0.01 2.88 -2.07 -0.16 -0.62 119.66 123.35 3fqx s GLN 115 Ca 0.19 -1.18 0.01 0.00 -1.82 0.00 0.00 55.36 52.56 3fqx s GLN 115 Cb -0.15 -0.52 0.00 0.00 -1.09 0.00 0.00 33.01 31.26 3fqx s GLN 115 CO -0.21 0.08 -0.02 -0.47 -1.32 0.00 0.00 175.29 173.34 3fqx s TYR 116 N -2.54 0.27 0.06 9.60 5.04 -0.09 -1.26 117.35 128.42 3fqx s TYR 116 Ca 0.06 -0.04 0.05 0.00 -2.44 0.00 0.00 57.07 54.70 3fqx s TYR 116 Cb -0.02 -0.21 -0.03 0.00 0.35 0.00 0.00 41.96 42.05 3fqx s TYR 116 CO -0.00 -0.03 -0.13 0.00 -1.34 0.00 0.00 175.55 174.05 3fqx s ALA 117 N 0.13 1.09 -0.10 3.97 0.00 0.13 -1.25 121.76 125.72 3fqx s ALA 117 Ca -0.01 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.06 3fqx s ALA 117 Cb -0.03 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.99 3fqx s ALA 117 CO -0.00 0.15 -0.20 -0.47 0.00 0.00 0.00 175.76 175.24 3fqx s TYR 118 N -1.18 2.28 -1.65 0.00 5.04 -0.82 -1.47 117.35 119.56 3fqx s TYR 118 Ca -0.02 -0.99 -0.18 0.00 -2.44 0.00 0.00 57.07 53.45 3fqx s TYR 118 Cb -0.09 -1.56 0.15 0.00 0.35 0.00 0.00 41.96 40.80 3fqx s TYR 118 CO 0.02 -0.44 0.78 -0.25 -1.34 0.00 0.00 175.55 174.32 3fqx n ASP 119 N 3.78 -3.46 0.00 4.32 8.00 0.31 -2.18 116.55 127.32 3fqx n ASP 119 Ca -0.20 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3fqx n ASP 119 Cb 0.52 -2.83 0.00 0.00 -0.02 0.00 0.00 41.12 38.79 3fqx n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fqx n GLY 120 N -1.38 0.72 3.43 0.44 0.00 -1.26 -5.01 105.19 102.13 3fqx n GLY 120 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3fqx n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fqx s LYS 121 N -0.19 1.96 0.13 1.61 1.02 -0.92 -5.09 119.74 118.25 3fqx s LYS 121 Ca 0.00 -1.04 -0.34 0.00 0.02 0.00 0.00 55.97 54.61 3fqx s LYS 121 Cb 0.00 -2.12 -0.17 0.00 -0.52 0.00 0.00 37.83 35.02 3fqx s LYS 121 CO 0.00 0.53 1.00 -0.25 -0.92 0.00 0.00 175.35 175.71 3fqx n ASP 122 N 1.52 0.42 0.00 2.83 8.00 -1.26 -1.94 116.55 126.12 3fqx n ASP 122 Ca -0.16 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.48 3fqx n ASP 122 Cb 0.52 -1.08 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 3fqx n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fqx n TYR 123 N 1.18 0.00 -3.92 1.24 9.36 -0.38 -4.71 117.16 119.92 3fqx n TYR 123 Ca 0.17 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.28 3fqx n TYR 123 Cb 0.20 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.79 3fqx n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3fqx s ILE 124 N -0.97 0.05 -0.05 2.97 2.07 -1.05 -1.19 121.20 123.03 3fqx s ILE 124 Ca 0.00 -0.44 -0.05 0.00 -1.41 0.00 0.00 60.65 58.74 3fqx s ILE 124 Cb 0.00 -0.13 0.01 0.00 0.13 0.00 0.00 42.46 42.47 3fqx s ILE 124 CO 0.00 -0.24 0.15 0.00 -1.91 0.00 0.00 174.94 172.93 3fqx s ALA 125 N -0.71 -0.36 0.05 1.50 0.00 -0.34 -0.91 121.76 120.99 3fqx s ALA 125 Ca -0.08 0.35 -0.31 0.00 0.00 0.00 0.00 51.96 51.93 3fqx s ALA 125 Cb -0.05 -0.20 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 3fqx s ALA 125 CO -0.00 -0.09 1.32 -1.17 0.00 0.00 0.00 175.76 175.81 3fqx s LEU 126 N -0.10 4.35 0.90 0.00 2.96 0.20 -0.60 118.68 126.39 3fqx s LEU 126 Ca -0.02 2.13 -0.12 0.00 -0.22 0.00 0.00 54.13 55.90 3fqx s LEU 126 Cb -0.02 -3.57 0.13 0.00 0.50 0.00 0.00 46.19 43.23 3fqx s LEU 126 CO 0.00 -0.61 1.10 -0.54 -1.32 0.00 0.00 176.35 174.98 3fqx s LYS 127 N 1.54 1.24 0.61 1.98 1.02 -0.10 -4.52 119.74 121.50 3fqx s LYS 127 Ca 0.62 0.69 0.37 0.00 0.02 0.00 0.00 55.97 57.67 3fqx s LYS 127 Cb -0.32 -1.82 1.96 0.00 -0.52 0.00 0.00 37.83 37.13 3fqx s LYS 127 CO 0.28 -2.22 2.23 1.49 -0.92 0.00 0.00 175.35 176.21 3fqx h GLU 128 N -1.53 0.00 0.00 1.68 4.81 -1.89 0.37 114.58 118.02 3fqx h GLU 128 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3fqx h GLU 128 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3fqx h GLU 128 CO 0.56 0.02 0.00 -0.40 -0.73 0.00 0.00 179.01 178.47 3fqx n ASP 129 N -3.30 0.29 -1.96 1.04 5.75 -1.26 -4.79 116.55 112.32 3fqx n ASP 129 Ca -0.02 0.58 -0.20 0.00 -0.01 0.00 0.00 54.79 55.14 3fqx n ASP 129 Cb 0.15 -0.64 -0.04 0.00 -1.03 0.00 0.00 41.12 39.56 3fqx n ASP 129 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3fqx n LEU 130 N -1.83 -1.72 0.00 -2.12 4.77 0.12 -4.79 117.00 111.43 3fqx n LEU 130 Ca 0.02 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3fqx n LEU 130 Cb 0.17 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.46 3fqx n LEU 130 CO 0.15 -0.56 -0.25 0.54 -1.33 0.00 0.00 177.39 175.93 3fqx n ARG 131 N -2.71 2.07 -4.07 3.23 1.74 -1.26 -4.51 116.66 111.15 3fqx n ARG 131 Ca -0.22 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.63 3fqx n ARG 131 Cb 0.67 -0.75 -0.06 0.00 -1.02 0.00 0.00 32.46 31.30 3fqx n ARG 131 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3fqx s SER 132 N -1.93 4.84 -0.04 0.55 0.01 -1.26 -4.90 113.70 110.96 3fqx s SER 132 Ca 0.00 -0.67 0.04 0.00 1.31 0.00 0.00 55.95 56.64 3fqx s SER 132 Cb 0.00 -0.84 -0.00 0.00 0.21 0.00 0.00 66.02 65.39 3fqx s SER 132 CO 0.00 -0.25 -0.18 0.26 0.41 0.00 0.00 173.24 173.48 3fqx s TRP 133 N -2.37 1.75 -0.41 2.43 0.52 -1.26 -0.92 118.94 118.68 3fqx s TRP 133 Ca 0.37 -0.51 -0.16 0.00 0.02 0.00 0.00 56.10 55.82 3fqx s TRP 133 Cb -0.04 -1.18 0.02 0.00 -1.15 0.00 0.00 33.47 31.12 3fqx s TRP 133 CO 0.23 -0.17 0.38 0.99 0.02 0.00 0.00 176.95 178.41 3fqx s THR 134 N 0.03 5.15 -0.22 2.01 2.01 0.23 -4.92 115.64 119.92 3fqx s THR 134 Ca -0.04 -0.42 -0.07 0.00 0.31 0.00 0.00 61.69 61.47 3fqx s THR 134 Cb -0.12 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 3fqx s THR 134 CO 0.02 -0.36 0.06 0.00 -0.69 0.00 0.00 174.62 173.65 3fqx s ALA 135 N 1.97 3.22 0.11 7.40 0.00 -1.26 -1.20 121.76 132.00 3fqx s ALA 135 Ca 0.10 -1.00 0.11 0.00 0.00 0.00 0.00 51.96 51.16 3fqx s ALA 135 Cb -0.18 -2.00 0.09 0.00 0.00 0.00 0.00 23.12 21.03 3fqx s ALA 135 CO 0.12 -0.25 1.45 0.00 0.00 0.00 0.00 175.76 177.08 3fqx h ALA 136 N 7.71 0.64 -3.26 0.00 0.00 -1.43 -3.45 119.26 119.46 3fqx h ALA 136 Ca -0.37 -0.67 -0.13 0.00 0.00 0.00 0.00 54.91 53.74 3fqx h ALA 136 Cb 1.18 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3fqx h ALA 136 CO 0.61 0.92 -0.07 -0.40 0.00 0.00 0.00 179.25 180.31 3fqx n ASP 137 N -3.45 -0.63 0.16 0.00 5.68 -1.26 -5.04 116.55 112.00 3fqx n ASP 137 Ca 0.00 -1.88 0.02 0.00 -0.50 0.00 0.00 54.79 52.43 3fqx n ASP 137 Cb 0.77 1.18 0.22 0.00 -1.14 0.00 0.00 41.12 42.15 3fqx n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3fqx h MET 138 N 0.00 0.00 0.01 0.11 2.86 -1.99 -0.45 114.93 115.48 3fqx h MET 138 Ca -0.13 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3fqx h MET 138 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3fqx h MET 138 CO 0.17 0.51 -0.00 0.00 1.06 0.00 0.00 176.91 178.64 3fqx h ALA 139 N 1.49 -0.01 -0.62 6.32 0.00 -1.97 -1.83 119.26 122.64 3fqx h ALA 139 Ca -0.01 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.86 3fqx h ALA 139 Cb 1.08 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3fqx h ALA 139 CO 0.07 -0.41 0.41 0.00 0.00 0.00 0.00 179.25 179.32 3fqx h ALA 140 N 0.79 1.77 -0.73 0.00 0.00 -1.79 -0.99 119.26 118.31 3fqx h ALA 140 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3fqx h ALA 140 Cb 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3fqx h ALA 140 CO 0.00 0.14 0.29 0.37 0.00 0.00 0.00 179.25 180.05 3fqx h GLN 141 N 0.64 1.09 -0.32 0.00 5.75 -0.81 0.23 115.11 121.69 3fqx h GLN 141 Ca 0.26 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.58 3fqx h GLN 141 Cb 0.23 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 3fqx h GLN 141 CO -0.08 0.89 0.19 1.15 -2.65 0.00 0.00 178.83 178.32 3fqx h THR 142 N 1.06 1.04 -0.92 2.39 2.02 -0.35 -2.02 112.91 116.13 3fqx h THR 142 Ca 0.25 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.31 3fqx h THR 142 Cb 0.21 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 3fqx h THR 142 CO -0.02 0.07 0.61 0.74 0.37 0.00 0.00 175.52 177.29 3fqx h THR 143 N 0.38 1.21 -0.40 3.16 2.02 -0.87 -2.23 112.91 116.18 3fqx h THR 143 Ca 0.12 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 66.90 3fqx h THR 143 Cb -0.00 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.27 3fqx h THR 143 CO -0.05 0.22 0.25 0.50 0.37 0.00 0.00 175.52 176.80 3fqx h LYS 144 N 1.22 0.49 -0.71 6.66 3.64 0.04 0.20 116.57 128.10 3fqx h LYS 144 Ca 0.35 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 3fqx h LYS 144 Cb -0.09 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 3fqx h LYS 144 CO -0.09 0.32 0.23 0.45 -2.27 0.00 0.00 179.45 178.09 3fqx h HIS 145 N 0.50 1.12 -0.38 1.91 3.86 -1.18 0.76 115.15 121.75 3fqx h HIS 145 Ca 0.16 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3fqx h HIS 145 Cb -0.02 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.10 3fqx h HIS 145 CO -0.06 0.88 0.24 -0.22 0.86 0.00 0.00 177.93 179.63 3fqx h LYS 146 N 1.05 0.48 -0.06 2.45 3.64 -0.76 -1.85 116.57 121.51 3fqx h LYS 146 Ca 0.23 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3fqx h LYS 146 Cb 0.29 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3fqx h LYS 146 CO -0.01 0.32 -0.43 -1.49 -2.27 0.00 0.00 179.45 175.57 3fqx h TRP 147 N 0.49 0.15 0.04 1.91 4.06 -0.04 -1.67 115.95 120.90 3fqx h TRP 147 Ca 0.14 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 61.05 3fqx h TRP 147 Cb -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.09 3fqx h TRP 147 CO -0.06 0.54 -0.02 0.93 -3.56 0.00 0.00 178.44 176.27 3fqx h GLU 148 N 0.11 -0.05 0.00 0.49 5.08 -0.68 -1.80 114.58 117.74 3fqx h GLU 148 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3fqx h GLU 148 Cb 0.80 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 3fqx h GLU 148 CO 0.06 0.09 -0.09 0.00 -1.00 0.00 0.00 179.01 178.07 3fqx h ALA 149 N 0.78 1.76 -0.48 3.43 0.00 -0.97 -2.10 119.26 121.67 3fqx h ALA 149 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3fqx h ALA 149 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3fqx h ALA 149 CO 0.01 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.38 3fqx n ALA 150 N -2.48 2.43 -2.54 0.00 0.00 -0.66 -4.95 120.51 112.31 3fqx n ALA 150 Ca -0.03 -0.93 -0.21 0.00 0.00 0.00 0.00 53.44 52.27 3fqx n ALA 150 Cb 0.17 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3fqx n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3fqx n HIS 151 N 1.12 -1.21 -0.06 0.00 -0.00 -0.79 -4.90 115.22 109.38 3fqx n HIS 151 Ca 0.19 0.12 -0.10 0.00 -0.00 0.00 0.00 57.72 57.93 3fqx n HIS 151 Cb 0.48 -4.06 -0.03 0.00 -0.00 0.00 0.00 29.99 26.38 3fqx n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3fqx h VAL 152 N -0.33 1.10 -0.97 1.59 2.07 -1.59 -2.87 116.25 115.25 3fqx h VAL 152 Ca -0.50 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 66.78 3fqx h VAL 152 Cb 1.36 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 3fqx h VAL 152 CO 0.57 0.10 0.64 0.00 0.02 0.00 0.00 177.57 178.90 3fqx h ALA 153 N 1.02 1.25 -0.43 1.67 0.00 -1.91 -0.60 119.26 120.26 3fqx h ALA 153 Ca 0.08 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3fqx h ALA 153 Cb 0.05 -0.37 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 3fqx h ALA 153 CO -0.01 0.58 0.15 0.93 0.00 0.00 0.00 179.25 180.90 3fqx h GLU 154 N 1.28 0.31 -0.47 0.00 5.08 -1.79 0.87 114.58 119.87 3fqx h GLU 154 Ca 0.37 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 3fqx h GLU 154 Cb -0.10 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3fqx h GLU 154 CO -0.09 0.21 0.02 1.96 -1.00 0.00 0.00 179.01 180.10 3fqx h GLN 155 N 0.32 0.82 -0.43 2.33 4.20 -1.18 -1.85 115.11 119.33 3fqx h GLN 155 Ca 0.20 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3fqx h GLN 155 Cb 0.19 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3fqx h GLN 155 CO -0.20 0.87 0.14 -0.07 -0.67 0.00 0.00 178.83 178.90 3fqx h LEU 156 N 0.68 0.61 -0.68 1.46 3.38 -0.83 -1.77 115.31 118.17 3fqx h LEU 156 Ca 0.14 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.96 3fqx h LEU 156 Cb 0.48 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3fqx h LEU 156 CO 0.02 0.65 0.40 -0.09 0.09 0.00 0.00 178.44 179.51 3fqx h ARG 157 N 0.55 0.73 -0.55 1.13 2.43 -0.72 0.15 114.38 118.11 3fqx h ARG 157 Ca 0.14 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3fqx h ARG 157 Cb 0.25 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3fqx h ARG 157 CO -0.01 0.48 0.30 0.00 -1.51 0.00 0.00 179.97 179.24 3fqx h ALA 158 N 1.33 0.70 -0.21 2.80 0.00 -1.10 -1.85 119.26 120.93 3fqx h ALA 158 Ca 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3fqx h ALA 158 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3fqx h ALA 158 CO -0.15 0.22 0.05 -0.92 0.00 0.00 0.00 179.25 178.45 3fqx h TYR 159 N 0.74 0.35 -0.41 0.00 3.20 -0.83 -1.31 116.97 118.71 3fqx h TYR 159 Ca 0.19 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.92 3fqx h TYR 159 Cb 0.04 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 3fqx h TYR 159 CO -0.01 0.44 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.73 3fqx h LEU 160 N 0.15 0.75 0.00 2.82 3.38 -0.52 0.20 115.31 122.09 3fqx h LEU 160 Ca 0.07 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3fqx h LEU 160 Cb 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3fqx h LEU 160 CO 0.00 0.91 -0.65 -0.62 0.09 0.00 0.00 178.44 178.17 3fqx n GLU 161 N -4.15 0.11 0.00 1.13 1.02 -0.71 -3.90 120.64 114.14 3fqx n GLU 161 Ca 0.01 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3fqx n GLU 161 Cb 0.38 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 3fqx n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fqx n GLY 162 N 1.45 0.64 0.30 0.62 0.00 -0.49 -4.66 105.19 103.03 3fqx n GLY 162 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 3fqx n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3fqx h THR 163 N 0.00 0.23 -0.05 2.61 2.02 -1.62 -0.03 112.91 116.06 3fqx h THR 163 Ca 0.00 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.19 3fqx h THR 163 Cb 0.00 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.55 3fqx h THR 163 CO 0.00 0.01 -0.14 0.00 0.37 0.00 0.00 175.52 175.76 3fqx h VAL 165 N -0.21 1.31 -0.55 0.00 -1.51 -1.38 -1.40 116.25 112.52 3fqx h VAL 165 Ca 0.07 -1.85 -0.02 0.00 -1.23 0.00 0.00 66.70 63.66 3fqx h VAL 165 Cb 0.30 1.81 -0.02 0.00 -2.13 0.00 0.00 31.29 31.25 3fqx h VAL 165 CO -0.18 0.58 0.25 -0.33 -1.23 0.00 0.00 177.57 176.67 3fqx h GLU 166 N 0.49 0.79 0.02 5.19 5.08 -0.80 -1.12 114.58 124.24 3fqx h GLU 166 Ca -0.00 -0.12 -0.21 0.00 -1.00 0.00 0.00 59.36 58.03 3fqx h GLU 166 Cb 1.19 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 3fqx h GLU 166 CO 0.12 0.66 -0.96 -1.49 -1.00 0.00 0.00 179.01 176.34 3fqx h TRP 167 N 0.74 0.17 -0.46 4.33 4.06 -1.13 -2.12 115.95 121.53 3fqx h TRP 167 Ca 0.19 -0.11 0.05 0.00 2.06 0.00 0.00 58.89 61.07 3fqx h TRP 167 Cb 0.13 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.24 3fqx h TRP 167 CO -0.00 1.00 0.21 1.25 -3.56 0.00 0.00 178.44 177.33 3fqx h LEU 168 N 0.05 0.28 -0.94 -4.49 5.85 -1.06 -0.17 115.31 114.83 3fqx h LEU 168 Ca -0.04 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3fqx h LEU 168 Cb 1.64 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.62 3fqx h LEU 168 CO 0.14 0.20 0.40 0.03 -0.34 0.00 0.00 178.44 178.87 3fqx h ARG 169 N 0.42 1.16 -0.27 1.25 3.08 -1.05 -0.30 114.38 118.68 3fqx h ARG 169 Ca 0.21 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.11 3fqx h ARG 169 Cb 0.15 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3fqx h ARG 169 CO -0.17 0.88 0.15 -0.09 -1.07 0.00 0.00 179.97 179.67 3fqx h ARG 170 N 1.16 0.31 -0.59 0.04 2.43 -0.85 -2.21 114.38 114.66 3fqx h ARG 170 Ca 0.28 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 3fqx h ARG 170 Cb 0.10 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3fqx h ARG 170 CO -0.04 0.20 0.19 1.88 -1.51 0.00 0.00 179.97 180.69 3fqx h TYR 171 N 0.31 0.95 -0.83 2.20 0.05 -0.51 -0.85 116.97 118.28 3fqx h TYR 171 Ca 0.10 -0.09 0.04 0.00 0.05 0.00 0.00 58.73 58.83 3fqx h TYR 171 Cb 0.00 -0.27 -0.05 0.00 1.01 0.00 0.00 36.73 37.42 3fqx h TYR 171 CO -0.08 0.79 0.55 -0.07 -1.05 0.00 0.00 178.16 178.29 3fqx h LEU 172 N 0.83 0.89 -0.04 3.88 3.38 -0.87 0.13 115.31 123.51 3fqx h LEU 172 Ca 0.19 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3fqx h LEU 172 Cb 0.28 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3fqx h LEU 172 CO -0.01 0.61 -0.12 -0.33 0.09 0.00 0.00 178.44 178.69 3fqx h GLU 173 N 1.03 0.16 -0.25 1.13 5.08 -1.06 -2.32 114.58 118.35 3fqx h GLU 173 Ca 0.33 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3fqx h GLU 173 Cb 0.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3fqx h GLU 173 CO -0.10 0.72 -0.12 -0.91 -1.00 0.00 0.00 179.01 177.61 3fqx h ASN 174 N -0.38 0.39 -0.57 1.42 2.35 -0.79 -2.78 115.58 115.21 3fqx h ASN 174 Ca -0.00 -0.09 -0.22 0.00 -0.55 0.00 0.00 56.30 55.43 3fqx h ASN 174 Cb 0.73 -0.10 -0.13 0.00 0.05 0.00 0.00 38.32 38.86 3fqx h ASN 174 CO 0.03 0.54 0.18 0.61 -1.65 0.00 0.00 177.43 177.13 3fqx n GLY 175 N -0.74 4.32 0.37 2.83 0.00 0.42 -4.77 105.19 107.62 3fqx n GLY 175 Ca 0.00 -1.10 0.10 0.00 0.00 0.00 0.00 46.02 45.02 3fqx n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3fqx h LYS 176 N 1.61 0.69 -0.01 1.61 2.10 -1.12 0.26 116.57 121.71 3fqx h LYS 176 Ca 0.27 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 3fqx h LYS 176 Cb 2.05 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 33.22 3fqx h LYS 176 CO 0.60 0.46 0.01 0.93 -2.00 0.00 0.00 179.45 179.44 3fqx h GLU 177 N 0.71 0.00 0.00 0.07 4.39 -1.86 -2.01 114.58 115.88 3fqx h GLU 177 Ca 0.41 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.94 3fqx h GLU 177 Cb 0.59 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 3fqx h GLU 177 CO -0.17 0.00 -1.61 0.25 -1.16 0.00 0.00 179.01 176.32 3fqx n THR 178 N -4.15 0.61 0.16 1.13 -2.24 -0.75 -4.51 114.28 104.52 3fqx n THR 178 Ca -0.03 -0.20 0.02 0.00 -2.27 0.00 0.00 64.05 61.58 3fqx n THR 178 Cb 0.09 -1.20 0.38 0.00 -2.10 0.00 0.00 70.33 67.51 3fqx n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3fqx h LEU 179 N -0.17 0.12 -3.12 3.22 3.38 -0.52 -2.32 115.31 115.89 3fqx h LEU 179 Ca -0.26 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3fqx h LEU 179 Cb 1.32 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3fqx h LEU 179 CO -0.09 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.81 3fqx n GLN 180 N -4.20 3.63 -4.27 1.13 6.02 -0.76 -4.90 117.38 114.04 3fqx n GLN 180 Ca -0.02 -2.84 -0.34 0.00 -0.01 0.00 0.00 57.00 53.79 3fqx n GLN 180 Cb 0.33 -1.85 -0.11 0.00 1.02 0.00 0.00 30.24 29.64 3fqx n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3fqx s ARG 181 N -1.82 3.56 -0.10 -1.09 3.52 -0.87 -5.02 118.95 117.12 3fqx s ARG 181 Ca 0.49 -0.43 -0.09 0.00 -0.13 0.00 0.00 55.73 55.58 3fqx s ARG 181 Cb 0.32 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.69 3fqx s ARG 181 CO 0.24 0.40 0.19 0.95 -0.81 0.00 0.00 175.30 176.26 3fqx s THR 182 N -0.03 5.42 -0.37 4.11 -4.23 -1.26 -4.82 115.64 114.47 3fqx s THR 182 Ca 0.03 0.32 -0.05 0.00 -1.18 0.00 0.00 61.69 60.81 3fqx s THR 182 Cb -0.13 -3.46 0.07 0.00 1.34 0.00 0.00 72.50 70.32 3fqx s THR 182 CO 0.02 0.60 0.15 -1.81 -0.54 0.00 0.00 174.62 173.04 3fqx s ASP 183 N -0.96 5.29 0.48 3.99 1.01 0.36 -4.93 116.67 121.91 3fqx s ASP 183 Ca 0.16 -1.49 -0.24 0.00 0.71 0.00 0.00 52.55 51.70 3fqx s ASP 183 Cb -0.13 -1.85 -0.07 0.00 1.01 0.00 0.00 42.92 41.88 3fqx s ASP 183 CO 0.05 -0.42 1.34 0.00 0.21 0.00 0.00 175.17 176.35 3fqx s ALA 184 N 1.31 3.05 0.26 5.23 0.00 -1.26 -1.43 121.76 128.92 3fqx s ALA 184 Ca 0.01 1.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.96 3fqx s ALA 184 Cb -0.21 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 19.27 3fqx s ALA 184 CO -0.00 -1.11 1.52 -1.25 0.00 0.00 0.00 175.76 174.92 3fqx s PRO 185 N -2.61 4.20 -0.19 0.00 0.04 -1.26 -4.62 135.00 130.56 3fqx s PRO 185 Ca 0.64 2.43 -0.25 0.00 0.04 0.00 0.00 61.00 63.86 3fqx s PRO 185 Cb -0.39 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 3fqx s PRO 185 CO 0.48 -0.53 0.82 0.15 0.04 0.00 0.00 177.00 177.96 3fqx s LYS 186 N -0.33 4.26 0.02 4.56 1.02 -0.11 -4.81 119.74 124.36 3fqx s LYS 186 Ca 0.62 0.97 0.08 0.00 0.02 0.00 0.00 55.97 57.66 3fqx s LYS 186 Cb -0.45 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.25 3fqx s LYS 186 CO 0.44 -0.36 -0.22 0.95 -0.92 0.00 0.00 175.35 175.24 3fqx s THR 187 N 2.29 2.44 0.25 2.17 -4.23 -1.26 -0.97 115.64 116.32 3fqx s THR 187 Ca 0.37 -1.21 -0.19 0.00 -1.18 0.00 0.00 61.69 59.48 3fqx s THR 187 Cb -0.16 -1.96 0.02 0.00 1.34 0.00 0.00 72.50 71.73 3fqx s THR 187 CO 0.11 0.41 0.62 -1.38 -0.54 0.00 0.00 174.62 173.84 3fqx s HIS 188 N -0.81 -0.09 -0.06 3.99 -3.43 -1.03 -5.00 115.29 108.86 3fqx s HIS 188 Ca 0.12 -0.30 0.05 0.00 -0.80 0.00 0.00 55.06 54.13 3fqx s HIS 188 Cb -0.10 0.52 -0.01 0.00 -1.43 0.00 0.00 32.58 31.56 3fqx s HIS 188 CO 0.02 -1.09 -0.23 1.41 -2.00 0.00 0.00 174.74 172.85 3fqx s MET 189 N -3.92 2.62 0.30 -0.38 1.75 -1.26 -0.83 119.30 117.58 3fqx s MET 189 Ca 0.12 -0.87 0.09 0.00 -1.25 0.00 0.00 55.69 53.78 3fqx s MET 189 Cb -0.03 -2.22 -0.05 0.00 2.84 0.00 0.00 34.83 35.37 3fqx s MET 189 CO 0.04 0.38 0.01 0.95 -0.65 0.00 0.00 175.02 175.75 3fqx s THR 190 N -0.16 3.08 -0.04 10.11 -4.23 0.09 -4.96 115.64 119.53 3fqx s THR 190 Ca -0.03 -1.93 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 3fqx s THR 190 Cb -0.14 -2.81 0.02 0.00 1.34 0.00 0.00 72.50 70.91 3fqx s THR 190 CO 0.04 -0.30 -0.04 -2.28 -0.54 0.00 0.00 174.62 171.50 3fqx s HIS 191 N -2.41 0.67 -0.29 3.99 5.04 -1.26 -0.80 115.29 120.24 3fqx s HIS 191 Ca 0.33 -0.17 -0.03 0.00 -1.54 0.00 0.00 55.06 53.66 3fqx s HIS 191 Cb -0.04 -0.60 0.10 0.00 0.04 0.00 0.00 32.58 32.08 3fqx s HIS 191 CO 0.20 -0.16 0.12 -1.01 -2.34 0.00 0.00 174.74 171.54 3fqx s HIS 192 N 0.80 0.81 0.23 3.88 3.76 0.16 -4.98 115.29 119.96 3fqx s HIS 192 Ca -0.10 -1.17 -0.30 0.00 -0.15 0.00 0.00 55.06 53.34 3fqx s HIS 192 Cb -0.13 -1.18 -0.10 0.00 1.11 0.00 0.00 32.58 32.28 3fqx s HIS 192 CO 0.00 -0.84 1.38 0.00 -0.85 0.00 0.00 174.74 174.44 3fqx s ALA 193 N 1.93 3.58 -0.06 -1.40 0.00 -1.26 -0.39 121.76 124.15 3fqx s ALA 193 Ca 0.09 1.23 0.16 0.00 0.00 0.00 0.00 51.96 53.45 3fqx s ALA 193 Cb -0.16 -3.52 -0.24 0.00 0.00 0.00 0.00 23.12 19.19 3fqx s ALA 193 CO -0.32 -0.65 0.28 0.28 0.00 0.00 0.00 175.76 175.35 3fqx n VAL 194 N 2.41 0.30 -3.54 0.00 0.31 -0.37 -4.90 118.33 112.54 3fqx n VAL 194 Ca 0.06 -0.47 -0.01 0.00 -0.01 0.00 0.00 64.34 63.91 3fqx n VAL 194 Cb 0.41 -0.08 0.01 0.00 -0.91 0.00 0.00 33.84 33.27 3fqx n VAL 194 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3fqx n SER 195 N -2.23 -0.66 0.28 4.52 3.41 -1.06 -4.96 113.62 112.92 3fqx n SER 195 Ca -0.09 -1.37 0.14 0.00 -0.26 0.00 0.00 58.87 57.29 3fqx n SER 195 Cb 0.60 1.08 0.80 0.00 -0.26 0.00 0.00 64.21 66.43 3fqx n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3fqx h ASP 196 N 0.71 0.00 0.06 4.04 5.19 -2.04 -3.31 116.42 121.08 3fqx h ASP 196 Ca -0.10 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.07 3fqx h ASP 196 Cb 0.43 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.90 3fqx h ASP 196 CO 0.13 0.08 -2.18 1.41 -3.12 0.00 0.00 179.24 175.56 3fqx n HIS 197 N -3.56 0.10 -3.90 4.55 8.25 -1.26 -4.78 115.22 114.62 3fqx n HIS 197 Ca -0.02 0.03 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 3fqx n HIS 197 Cb 0.21 -0.86 -0.06 0.00 1.12 0.00 0.00 29.99 30.39 3fqx n HIS 197 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3fqx s GLU 198 N -2.83 1.17 0.05 -0.41 1.03 -1.25 -0.72 118.70 115.73 3fqx s GLU 198 Ca -0.09 -1.08 -0.15 0.00 0.03 0.00 0.00 54.97 53.68 3fqx s GLU 198 Cb 0.09 0.40 0.02 0.00 -0.80 0.00 0.00 34.13 33.84 3fqx s GLU 198 CO 0.85 -0.44 0.34 0.00 -1.33 0.00 0.00 175.26 174.68 3fqx s ALA 199 N -3.94 -0.78 -0.16 -0.84 0.00 -0.50 -1.24 121.76 114.30 3fqx s ALA 199 Ca 0.14 0.08 -0.15 0.00 0.00 0.00 0.00 51.96 52.03 3fqx s ALA 199 Cb 0.03 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 3fqx s ALA 199 CO -0.02 -0.43 0.35 0.99 0.00 0.00 0.00 175.76 176.65 3fqx s THR 200 N -2.59 5.26 -0.20 0.00 2.01 0.47 -0.77 115.64 119.82 3fqx s THR 200 Ca -0.05 0.67 -0.10 0.00 0.31 0.00 0.00 61.69 62.52 3fqx s THR 200 Cb -0.01 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 3fqx s THR 200 CO -0.03 0.34 0.13 -0.76 -0.69 0.00 0.00 174.62 173.60 3fqx s LEU 201 N 0.72 4.18 -0.16 4.42 1.43 -0.09 -0.66 118.68 128.52 3fqx s LEU 201 Ca 0.19 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 3fqx s LEU 201 Cb -0.14 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.01 3fqx s LEU 201 CO 0.06 0.18 -0.18 -0.60 0.23 0.00 0.00 176.35 176.04 3fqx s ARG 202 N 0.38 3.09 -0.28 1.70 3.52 0.02 -1.33 118.95 126.05 3fqx s ARG 202 Ca 0.08 -0.80 -0.10 0.00 -0.13 0.00 0.00 55.73 54.77 3fqx s ARG 202 Cb -0.11 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 3fqx s ARG 202 CO -0.02 -0.08 0.17 0.00 -0.81 0.00 0.00 175.30 174.56 3fqx s TRP 204 N 1.72 3.18 -0.14 0.00 0.52 -0.01 -1.47 118.94 122.74 3fqx s TRP 204 Ca 0.07 0.16 0.01 0.00 0.02 0.00 0.00 56.10 56.35 3fqx s TRP 204 Cb -0.16 -1.84 0.02 0.00 -1.15 0.00 0.00 33.47 30.34 3fqx s TRP 204 CO 0.09 0.41 -0.15 0.00 0.02 0.00 0.00 176.95 177.32 3fqx s ALA 205 N -0.66 1.88 0.13 0.98 0.00 -0.02 -2.46 121.76 121.60 3fqx s ALA 205 Ca 0.11 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.24 3fqx s ALA 205 Cb -0.12 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 3fqx s ALA 205 CO 0.02 -0.30 -0.17 -0.51 0.00 0.00 0.00 175.76 174.81 3fqx s LEU 206 N 1.34 2.38 -1.46 0.00 1.43 -0.15 -1.24 118.68 120.99 3fqx s LEU 206 Ca 0.02 -0.78 -0.09 0.00 -1.03 0.00 0.00 54.13 52.25 3fqx s LEU 206 Cb -0.13 -0.71 0.03 0.00 0.03 0.00 0.00 46.19 45.41 3fqx s LEU 206 CO -0.09 -0.06 0.90 -0.24 0.23 0.00 0.00 176.35 177.09 3fqx n SER 207 N 0.65 -5.77 -4.90 2.29 2.88 -0.80 -0.94 113.62 107.03 3fqx n SER 207 Ca -0.16 -0.49 -0.24 0.00 -1.33 0.00 0.00 58.87 56.65 3fqx n SER 207 Cb 0.56 -4.61 -0.03 0.00 -0.75 0.00 0.00 64.21 59.38 3fqx n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3fqx s PHE 208 N -3.24 3.33 -0.23 0.66 -0.71 -0.87 -4.74 117.98 112.18 3fqx s PHE 208 Ca 0.50 -0.00 -0.15 0.00 -1.04 0.00 0.00 56.93 56.23 3fqx s PHE 208 Cb -0.23 -1.55 0.07 0.00 -1.21 0.00 0.00 43.02 40.10 3fqx s PHE 208 CO 0.61 0.49 0.57 -0.47 -1.34 0.00 0.00 175.22 175.09 3fqx s TYR 209 N -1.91 -0.80 0.76 3.49 5.04 -0.51 -0.56 117.35 122.85 3fqx s TYR 209 Ca 0.33 1.71 -0.13 0.00 -2.44 0.00 0.00 57.07 56.55 3fqx s TYR 209 Cb -0.09 0.41 0.18 0.00 0.35 0.00 0.00 41.96 42.80 3fqx s TYR 209 CO 0.27 -0.41 0.86 -2.30 -1.34 0.00 0.00 175.55 172.63 3fqx n PRO 210 N 3.89 -1.60 0.16 4.97 -0.02 -1.26 -0.48 135.00 140.66 3fqx n PRO 210 Ca -0.19 -1.34 0.01 0.00 -2.02 0.00 0.00 63.50 59.96 3fqx n PRO 210 Cb 0.57 -1.04 0.25 0.00 -0.02 0.00 0.00 33.50 33.27 3fqx n PRO 210 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fqx h ALA 211 N -2.14 1.07 -2.33 3.55 0.00 -1.95 -3.45 119.26 114.01 3fqx h ALA 211 Ca -0.29 -0.46 -0.57 0.00 0.00 0.00 0.00 54.91 53.58 3fqx h ALA 211 Cb 0.85 -0.08 0.05 0.00 0.00 0.00 0.00 17.79 18.60 3fqx h ALA 211 CO 0.20 0.64 0.96 -1.91 0.00 0.00 0.00 179.25 179.14 3fqx n GLU 212 N -3.81 2.40 -3.49 0.00 4.07 -1.26 -4.97 120.64 113.58 3fqx n GLU 212 Ca -0.01 0.87 -0.15 0.00 -0.06 0.00 0.00 57.16 57.81 3fqx n GLU 212 Cb 0.54 -2.70 -0.05 0.00 -0.06 0.00 0.00 31.44 29.18 3fqx n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3fqx s ILE 213 N 2.04 0.00 -0.08 6.31 2.07 -1.26 -4.60 121.20 125.68 3fqx s ILE 213 Ca 0.82 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.07 3fqx s ILE 213 Cb -0.61 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.00 3fqx s ILE 213 CO 0.40 0.00 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.43 3fqx s THR 214 N -2.04 1.10 -0.14 4.00 2.01 -0.70 -5.00 115.64 114.88 3fqx s THR 214 Ca -0.06 -0.42 0.01 0.00 0.31 0.00 0.00 61.69 61.53 3fqx s THR 214 Cb -0.00 -1.04 -0.00 0.00 0.01 0.00 0.00 72.50 71.47 3fqx s THR 214 CO 0.02 0.36 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.36 3fqx s LEU 215 N 0.97 2.35 0.04 4.42 1.02 -1.26 -1.02 118.68 125.20 3fqx s LEU 215 Ca -0.09 -0.50 0.02 0.00 0.02 0.00 0.00 54.13 53.58 3fqx s LEU 215 Cb -0.15 -1.51 -0.02 0.00 0.02 0.00 0.00 46.19 44.53 3fqx s LEU 215 CO 0.00 0.11 -0.07 0.42 0.02 0.00 0.00 176.35 176.83 3fqx s THR 216 N 0.67 0.43 -0.03 5.49 -4.23 -0.46 -4.97 115.64 112.55 3fqx s THR 216 Ca -0.09 -1.04 -0.00 0.00 -1.18 0.00 0.00 61.69 59.37 3fqx s THR 216 Cb -0.16 -0.53 -0.04 0.00 1.34 0.00 0.00 72.50 73.12 3fqx s THR 216 CO 0.02 -0.42 0.04 0.26 -0.54 0.00 0.00 174.62 173.98 3fqx s TRP 217 N -1.42 3.20 0.08 3.99 0.52 -1.26 -0.14 118.94 123.92 3fqx s TRP 217 Ca -0.11 0.18 0.07 0.00 0.02 0.00 0.00 56.10 56.26 3fqx s TRP 217 Cb -0.10 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 3fqx s TRP 217 CO -0.00 0.51 -0.20 -0.65 0.02 0.00 0.00 176.95 176.64 3fqx s GLN 218 N -1.47 1.17 -0.13 4.98 -0.21 0.28 -0.81 119.66 123.47 3fqx s GLN 218 Ca 0.19 -1.04 0.03 0.00 0.02 0.00 0.00 55.36 54.56 3fqx s GLN 218 Cb -0.12 -1.35 0.01 0.00 1.00 0.00 0.00 33.01 32.55 3fqx s GLN 218 CO 0.10 0.32 -0.22 0.50 -2.12 0.00 0.00 175.29 173.87 3fqx s ARG 219 N -1.60 3.01 -1.58 2.91 3.52 -0.07 -1.17 118.95 123.96 3fqx s ARG 219 Ca 0.06 -0.85 -0.16 0.00 -0.13 0.00 0.00 55.73 54.65 3fqx s ARG 219 Cb -0.09 -2.40 0.12 0.00 -1.56 0.00 0.00 34.95 31.02 3fqx s ARG 219 CO 0.03 0.02 0.81 -0.25 -0.81 0.00 0.00 175.30 175.10 3fqx n ASP 220 N 3.97 -3.94 0.00 -2.12 8.00 -0.01 -1.91 116.55 120.54 3fqx n ASP 220 Ca -0.20 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.48 3fqx n ASP 220 Cb 0.52 -3.19 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 3fqx n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fqx n GLY 221 N -1.45 0.49 3.09 0.44 0.00 -1.26 -5.03 105.19 101.47 3fqx n GLY 221 Ca 0.05 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 3fqx n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fqx s GLU 222 N -0.70 1.20 0.21 1.61 2.02 -0.80 -5.07 118.70 117.16 3fqx s GLU 222 Ca 0.00 -0.48 -0.32 0.00 0.02 0.00 0.00 54.97 54.19 3fqx s GLU 222 Cb 0.00 -1.13 -0.15 0.00 0.10 0.00 0.00 34.13 32.95 3fqx s GLU 222 CO 0.00 0.26 1.25 -0.25 0.02 0.00 0.00 175.26 176.53 3fqx n ASP 223 N 2.90 1.87 -4.20 -0.19 9.92 -1.26 -0.89 116.55 124.71 3fqx n ASP 223 Ca -0.16 1.14 -0.32 0.00 -0.53 0.00 0.00 54.79 54.93 3fqx n ASP 223 Cb 0.55 -1.30 -0.17 0.00 -0.64 0.00 0.00 41.12 39.56 3fqx n ASP 223 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 3fqx s GLN 224 N -0.47 2.95 0.00 -1.24 0.74 0.01 -4.75 119.66 116.91 3fqx s GLN 224 Ca 0.70 -0.84 0.00 0.00 0.05 0.00 0.00 55.36 55.27 3fqx s GLN 224 Cb -0.77 -2.26 0.00 0.00 1.10 0.00 0.00 33.01 31.09 3fqx s GLN 224 CO 0.52 0.14 0.00 0.25 -0.55 0.00 0.00 175.29 175.65 3fqx n THR 225 N 3.62 0.00 -1.73 -0.34 -2.24 -1.26 -4.42 114.28 107.91 3fqx n THR 225 Ca -0.19 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 3fqx n THR 225 Cb 0.53 -0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.51 3fqx n THR 225 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fqx n GLN 226 N -1.70 2.40 -2.59 -0.78 1.13 -1.26 -2.65 117.38 111.92 3fqx n GLN 226 Ca 0.00 0.84 -0.21 0.00 -1.94 0.00 0.00 57.00 55.69 3fqx n GLN 226 Cb 0.24 -2.53 0.00 0.00 0.11 0.00 0.00 30.24 28.07 3fqx n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3fqx n ASP 227 N 1.22 -5.96 -4.58 1.08 9.92 -1.26 -4.86 116.55 112.11 3fqx n ASP 227 Ca 0.06 -0.10 -0.24 0.00 -0.53 0.00 0.00 54.79 53.98 3fqx n ASP 227 Cb 0.36 -4.92 -0.09 0.00 -0.64 0.00 0.00 41.12 35.84 3fqx n ASP 227 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3fqx s THR 228 N -3.08 3.12 -0.02 -3.53 -4.23 -1.08 -1.89 115.64 104.93 3fqx s THR 228 Ca 0.09 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.65 3fqx s THR 228 Cb -0.04 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.18 3fqx s THR 228 CO 0.12 -0.30 -0.02 -0.70 -0.54 0.00 0.00 174.62 173.18 3fqx s GLU 229 N -3.38 0.28 -0.13 3.99 2.12 0.06 -4.97 118.70 116.67 3fqx s GLU 229 Ca 0.29 -0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.59 3fqx s GLU 229 Cb -0.07 -0.35 0.03 0.00 0.26 0.00 0.00 34.13 34.00 3fqx s GLU 229 CO 0.17 -0.03 -0.06 -1.17 -0.54 0.00 0.00 175.26 173.63 3fqx s LEU 230 N 0.44 1.31 0.33 2.70 2.96 -1.26 0.01 118.68 125.17 3fqx s LEU 230 Ca -0.04 -0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 53.33 3fqx s LEU 230 Cb -0.07 -0.85 -0.07 0.00 0.50 0.00 0.00 46.19 45.69 3fqx s LEU 230 CO -0.01 -0.15 0.68 0.68 -1.32 0.00 0.00 176.35 176.24 3fqx s VAL 231 N 1.69 4.82 0.33 1.68 -7.23 -0.98 -5.03 120.40 115.68 3fqx s VAL 231 Ca 0.03 0.59 -0.29 0.00 -1.81 0.00 0.00 61.98 60.51 3fqx s VAL 231 Cb -0.13 -3.67 -0.12 0.00 0.56 0.00 0.00 36.38 33.01 3fqx s VAL 231 CO -0.08 -0.30 1.43 1.21 -0.31 0.00 0.00 175.10 177.05 3fqx n GLU 232 N -0.74 2.40 -1.73 4.82 2.13 -1.26 -4.57 120.64 121.69 3fqx n GLU 232 Ca 0.02 0.84 -0.42 0.00 0.66 0.00 0.00 57.16 58.26 3fqx n GLU 232 Cb 0.53 -2.52 -0.02 0.00 0.27 0.00 0.00 31.44 29.70 3fqx n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3fqx n THR 233 N 0.98 1.03 -4.14 6.31 -1.04 -1.26 -4.86 114.28 111.30 3fqx n THR 233 Ca 0.05 -0.26 -0.16 0.00 -2.04 0.00 0.00 64.05 61.65 3fqx n THR 233 Cb 0.36 -1.88 -0.12 0.00 -1.82 0.00 0.00 70.33 66.87 3fqx n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fqx s ARG 234 N -0.52 0.68 0.14 -2.82 1.70 -0.53 -4.97 118.95 112.63 3fqx s ARG 234 Ca 0.64 -0.81 -0.30 0.00 -0.47 0.00 0.00 55.73 54.79 3fqx s ARG 234 Cb -0.52 -0.58 -0.07 0.00 -0.57 0.00 0.00 34.95 33.21 3fqx s ARG 234 CO 0.49 0.13 1.09 -1.25 -1.08 0.00 0.00 175.30 174.67 3fqx s PRO 235 N -1.54 4.58 0.34 3.89 0.04 -1.26 -0.39 135.00 140.66 3fqx s PRO 235 Ca -0.05 1.67 0.17 0.00 0.04 0.00 0.00 61.00 62.82 3fqx s PRO 235 Cb -0.09 -3.32 0.53 0.00 0.04 0.00 0.00 34.50 31.66 3fqx s PRO 235 CO 0.01 0.03 1.67 0.00 0.04 0.00 0.00 177.00 178.75 3fqx h ALA 236 N 5.59 0.93 0.00 8.56 0.00 -1.11 -3.46 119.26 129.76 3fqx h ALA 236 Ca -0.43 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.06 3fqx h ALA 236 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3fqx h ALA 236 CO 0.74 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.97 3fqx n GLY 237 N 0.38 0.43 0.67 0.00 0.00 -1.26 -4.92 105.19 100.50 3fqx n GLY 237 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3fqx n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fqx n ASP 238 N 0.00 3.48 0.00 1.61 5.68 -1.26 -4.93 116.55 121.12 3fqx n ASP 238 Ca 0.00 -3.03 0.00 0.00 -0.50 0.00 0.00 54.79 51.26 3fqx n ASP 238 Cb 0.00 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 3fqx n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3fqx n GLY 239 N -0.75 1.46 4.00 6.12 0.00 -1.26 -5.06 105.19 109.71 3fqx n GLY 239 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 3fqx n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fqx s THR 240 N -2.34 2.16 0.22 2.61 -4.23 -1.26 -4.91 115.64 107.89 3fqx s THR 240 Ca 0.00 -1.11 0.06 0.00 -1.18 0.00 0.00 61.69 59.46 3fqx s THR 240 Cb 0.00 -2.26 -0.05 0.00 1.34 0.00 0.00 72.50 71.53 3fqx s THR 240 CO 0.00 0.00 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.64 3fqx s PHE 241 N -2.65 1.63 0.08 3.99 0.40 0.28 -0.52 117.98 121.19 3fqx s PHE 241 Ca 0.55 -0.73 0.03 0.00 -0.60 0.00 0.00 56.93 56.19 3fqx s PHE 241 Cb -0.05 -0.86 -0.03 0.00 0.51 0.00 0.00 43.02 42.58 3fqx s PHE 241 CO 0.35 0.18 -0.09 -0.65 0.70 0.00 0.00 175.22 175.71 3fqx s GLN 242 N -3.74 0.76 -0.02 0.44 -0.21 0.48 -1.90 119.66 115.48 3fqx s GLN 242 Ca 0.24 -1.09 -0.30 0.00 0.02 0.00 0.00 55.36 54.23 3fqx s GLN 242 Cb 0.03 -0.41 0.07 0.00 1.00 0.00 0.00 33.01 33.70 3fqx s GLN 242 CO 0.07 0.05 0.69 0.21 -2.12 0.00 0.00 175.29 174.19 3fqx s LYS 243 N -2.69 1.07 0.05 2.91 2.20 -0.37 -1.45 119.74 121.46 3fqx s LYS 243 Ca 0.03 0.13 -0.02 0.00 -0.36 0.00 0.00 55.97 55.74 3fqx s LYS 243 Cb -0.03 0.50 -0.03 0.00 -1.51 0.00 0.00 37.83 36.76 3fqx s LYS 243 CO -0.01 -0.36 0.01 1.67 -0.36 0.00 0.00 175.35 176.30 3fqx s TRP 244 N -1.62 0.40 -0.01 4.03 1.48 -1.26 -0.84 118.94 121.12 3fqx s TRP 244 Ca -0.08 -0.87 0.02 0.00 -1.06 0.00 0.00 56.10 54.11 3fqx s TRP 244 Cb -0.00 -0.29 -0.00 0.00 -1.16 0.00 0.00 33.47 32.01 3fqx s TRP 244 CO 0.06 -0.38 -0.08 0.00 -4.06 0.00 0.00 176.95 172.49 3fqx s ALA 245 N -3.45 0.66 0.12 2.67 0.00 -0.54 -2.32 121.76 118.90 3fqx s ALA 245 Ca 0.02 -0.32 0.06 0.00 0.00 0.00 0.00 51.96 51.72 3fqx s ALA 245 Cb 0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 3fqx s ALA 245 CO -0.08 0.15 -0.13 0.00 0.00 0.00 0.00 175.76 175.69 3fqx s ALA 246 N -0.09 1.45 -0.02 0.00 0.00 0.10 -0.24 121.76 122.97 3fqx s ALA 246 Ca 0.02 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 3fqx s ALA 246 Cb -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.02 3fqx s ALA 246 CO -0.00 0.08 0.07 0.54 0.00 0.00 0.00 175.76 176.45 3fqx s VAL 247 N -2.21 0.03 -0.15 0.00 0.11 -0.44 -0.76 120.40 116.98 3fqx s VAL 247 Ca 0.09 -0.26 -0.14 0.00 -2.93 0.00 0.00 61.98 58.74 3fqx s VAL 247 Cb -0.04 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.57 3fqx s VAL 247 CO 0.03 -0.14 0.32 -0.69 -3.33 0.00 0.00 175.10 171.29 3fqx s VAL 248 N -0.42 5.29 0.09 2.04 1.01 -0.79 -0.91 120.40 126.70 3fqx s VAL 248 Ca -0.05 0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.59 3fqx s VAL 248 Cb -0.03 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3fqx s VAL 248 CO 0.00 0.38 -0.12 0.68 0.00 0.00 0.00 175.10 176.04 3fqx s VAL 249 N 0.48 1.06 0.13 2.92 -7.23 0.05 -4.96 120.40 112.84 3fqx s VAL 249 Ca 0.18 -1.55 -0.31 0.00 -1.81 0.00 0.00 61.98 58.49 3fqx s VAL 249 Cb -0.13 -1.29 -0.09 0.00 0.56 0.00 0.00 36.38 35.43 3fqx s VAL 249 CO 0.05 -0.44 1.50 -2.84 -0.31 0.00 0.00 175.10 173.06 3fqx s PRO 250 N -2.45 4.26 0.31 4.82 0.02 -1.26 -1.41 135.00 139.28 3fqx s PRO 250 Ca 0.04 2.23 -0.30 0.00 0.02 0.00 0.00 61.00 62.99 3fqx s PRO 250 Cb -0.05 -3.25 -0.12 0.00 0.02 0.00 0.00 34.50 31.10 3fqx s PRO 250 CO 0.01 -0.55 1.54 0.43 -0.33 0.00 0.00 177.00 178.10 3fqx n SER 251 N 4.18 3.67 0.00 2.53 7.64 0.10 -1.50 113.62 130.24 3fqx n SER 251 Ca 0.13 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.18 3fqx n SER 251 Cb 0.40 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 3fqx n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fqx n GLY 252 N 1.75 2.20 1.11 0.23 0.00 -1.26 -4.90 105.19 104.31 3fqx n GLY 252 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3fqx n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fqx n GLN 253 N -1.98 3.34 -0.02 1.61 1.13 -0.56 -4.70 117.38 116.20 3fqx n GLN 253 Ca 0.00 -2.74 0.04 0.00 -1.94 0.00 0.00 57.00 52.37 3fqx n GLN 253 Cb 0.00 -1.80 0.42 0.00 0.11 0.00 0.00 30.24 28.97 3fqx n GLN 253 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3fqx h GLU 254 N 2.57 0.57 0.00 -1.09 3.07 -1.91 -2.37 114.58 115.41 3fqx h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3fqx h GLU 254 Cb 1.38 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 3fqx h GLU 254 CO 0.22 0.37 0.00 1.04 -1.40 0.00 0.00 179.01 179.24 3fqx n GLN 255 N -4.47 0.14 0.23 2.33 1.13 -1.26 -1.45 117.38 114.03 3fqx n GLN 255 Ca 0.04 0.41 0.15 0.00 -1.94 0.00 0.00 57.00 55.67 3fqx n GLN 255 Cb 0.08 -1.78 0.59 0.00 0.11 0.00 0.00 30.24 29.24 3fqx n GLN 255 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3fqx h ARG 256 N 0.00 0.00 -5.25 -1.09 3.08 -1.81 -3.45 114.38 105.86 3fqx h ARG 256 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3fqx h ARG 256 Cb 0.28 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.16 3fqx h ARG 256 CO 0.00 0.00 -0.59 0.71 -1.07 0.00 0.00 179.97 179.02 3fqx s TYR 257 N -3.53 3.18 -0.03 3.04 1.51 -0.53 -0.83 117.35 120.16 3fqx s TYR 257 Ca 0.03 -0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.09 3fqx s TYR 257 Cb 0.09 -2.07 -0.01 0.00 -0.11 0.00 0.00 41.96 39.86 3fqx s TYR 257 CO 0.51 0.07 -0.20 0.95 -1.11 0.00 0.00 175.55 175.77 3fqx s THR 258 N 0.48 1.63 -0.17 -0.71 -4.23 -0.32 -4.51 115.64 107.81 3fqx s THR 258 Ca 0.02 -0.85 -0.08 0.00 -1.18 0.00 0.00 61.69 59.59 3fqx s THR 258 Cb -0.13 -1.38 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 3fqx s THR 258 CO 0.01 0.46 0.12 0.00 -0.54 0.00 0.00 174.62 174.67 3fqx s HIS 260 N -0.13 2.65 -0.17 0.00 3.76 0.81 -0.32 115.29 121.89 3fqx s HIS 260 Ca 0.10 -0.99 0.01 0.00 -0.15 0.00 0.00 55.06 54.03 3fqx s HIS 260 Cb -0.12 -1.77 0.02 0.00 1.11 0.00 0.00 32.58 31.83 3fqx s HIS 260 CO 0.00 -0.40 -0.19 0.08 -0.85 0.00 0.00 174.74 173.39 3fqx s VAL 261 N 0.44 1.95 -0.11 -0.90 1.01 -0.26 -1.35 120.40 121.17 3fqx s VAL 261 Ca -0.15 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3fqx s VAL 261 Cb -0.17 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 3fqx s VAL 261 CO 0.06 0.52 -0.12 -1.10 0.00 0.00 0.00 175.10 174.46 3fqx s GLN 262 N 1.28 3.22 -0.11 2.72 -0.21 -0.19 -1.58 119.66 124.79 3fqx s GLN 262 Ca 0.04 -0.67 -0.27 0.00 0.02 0.00 0.00 55.36 54.48 3fqx s GLN 262 Cb -0.13 -2.61 0.06 0.00 1.00 0.00 0.00 33.01 31.33 3fqx s GLN 262 CO -0.11 0.31 0.65 -1.58 -2.12 0.00 0.00 175.29 172.44 3fqx s HIS 263 N 0.10 -0.65 0.53 0.91 2.46 -1.26 -1.72 115.29 115.67 3fqx s HIS 263 Ca -0.05 1.28 0.25 0.00 0.47 0.00 0.00 55.06 57.00 3fqx s HIS 263 Cb -0.15 0.33 1.39 0.00 -0.13 0.00 0.00 32.58 34.03 3fqx s HIS 263 CO 0.04 -0.51 2.01 1.49 -2.47 0.00 0.00 174.74 175.30 3fqx h GLU 264 N 3.74 0.00 -0.00 2.88 4.81 -1.94 -0.26 114.58 123.80 3fqx h GLU 264 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3fqx h GLU 264 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3fqx h GLU 264 CO 0.29 0.00 -0.00 0.41 -0.73 0.00 0.00 179.01 178.98 3fqx n GLY 265 N -1.64 -0.93 3.32 1.92 0.00 -1.26 -4.69 105.19 101.91 3fqx n GLY 265 Ca 0.09 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 3fqx n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fqx s LEU 266 N -2.04 3.24 0.21 0.99 1.43 -0.11 -4.48 118.68 117.91 3fqx s LEU 266 Ca 0.46 -0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 52.96 3fqx s LEU 266 Cb 0.22 -1.79 0.25 0.00 0.03 0.00 0.00 46.19 44.90 3fqx s LEU 266 CO 0.37 -0.08 1.77 -0.65 0.23 0.00 0.00 176.35 178.00 3fqx h PRO 267 N 8.15 0.50 -5.62 1.29 0.11 -1.84 -3.42 132.00 131.17 3fqx h PRO 267 Ca -0.37 -0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.22 3fqx h PRO 267 Cb 1.15 -0.11 -0.24 0.00 0.11 0.00 0.00 31.00 31.90 3fqx h PRO 267 CO 0.60 0.33 -0.81 0.15 -0.21 0.00 0.00 178.00 178.06 3fqx s LYS 268 N -6.09 1.05 0.59 1.05 1.02 -1.26 -5.13 119.74 110.96 3fqx s LYS 268 Ca -0.13 -0.88 -0.20 0.00 0.02 0.00 0.00 55.97 54.78 3fqx s LYS 268 Cb 0.16 -1.12 -0.04 0.00 -0.52 0.00 0.00 37.83 36.32 3fqx s LYS 268 CO 0.75 0.27 1.18 -2.30 -0.92 0.00 0.00 175.35 174.33 3fqx n PRO 269 N 1.68 1.22 -3.49 -1.68 -0.02 -1.26 -4.98 135.00 126.47 3fqx n PRO 269 Ca -0.18 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.43 3fqx n PRO 269 Cb 0.54 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 3fqx n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3fqx s LEU 270 N -3.00 4.27 -0.12 2.45 1.43 -0.62 -4.91 118.68 118.19 3fqx s LEU 270 Ca 0.76 0.86 0.03 0.00 -1.03 0.00 0.00 54.13 54.75 3fqx s LEU 270 Cb -0.42 -3.35 0.01 0.00 0.03 0.00 0.00 46.19 42.46 3fqx s LEU 270 CO 0.46 0.05 -0.22 -0.89 0.23 0.00 0.00 176.35 175.98 3fqx s THR 271 N -1.61 2.04 0.03 5.49 2.01 -1.26 -1.11 115.64 121.24 3fqx s THR 271 Ca 0.40 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.49 3fqx s THR 271 Cb -0.13 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 3fqx s THR 271 CO 0.20 0.55 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.75 3fqx s LEU 272 N 0.64 2.65 0.06 4.42 1.02 0.57 -4.95 118.68 123.09 3fqx s LEU 272 Ca -0.11 -0.39 0.03 0.00 0.02 0.00 0.00 54.13 53.68 3fqx s LEU 272 Cb -0.16 -1.54 -0.03 0.00 0.02 0.00 0.00 46.19 44.48 3fqx s LEU 272 CO 0.02 0.26 -0.10 -0.60 0.02 0.00 0.00 176.35 175.95 3fqx s ARG 273 N -1.39 0.66 0.23 1.70 3.52 -1.26 -0.89 118.95 121.52 3fqx s ARG 273 Ca 0.15 -0.86 -0.31 0.00 -0.13 0.00 0.00 55.73 54.57 3fqx s ARG 273 Cb -0.11 -0.52 -0.11 0.00 -1.56 0.00 0.00 34.95 32.66 3fqx s ARG 273 CO 0.05 0.10 1.58 -0.46 -0.81 0.00 0.00 175.30 175.76 3fqx s TRP 274 N -1.42 2.94 -2.20 5.12 -0.11 -1.26 -4.96 118.94 117.05 3fqx s TRP 274 Ca -0.06 0.69 0.18 0.00 1.22 0.00 0.00 56.10 58.13 3fqx s TRP 274 Cb -0.09 -3.99 0.14 0.00 -1.50 0.00 0.00 33.47 28.03 3fqx s TRP 274 CO 0.01 -3.50 1.06 -0.85 -4.62 0.00 0.00 176.95 169.05