#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wa6 s ASN 3 N 0.00 6.97 0.03 4.31 -0.87 -1.26 -5.03 114.94 119.09 1wa6 s ASN 3 Ca 0.00 1.17 -0.37 0.00 -1.57 0.00 0.00 52.86 52.10 1wa6 s ASN 3 Cb 0.00 -2.33 -0.16 0.00 -0.02 0.00 0.00 41.25 38.74 1wa6 s ASN 3 CO 0.00 0.24 1.47 0.33 -2.57 0.00 0.00 177.10 176.57 1wa6 n PHE 4 N 1.52 1.75 -2.03 2.20 7.35 -1.26 -4.91 117.46 122.09 1wa6 n PHE 4 Ca -0.10 0.54 -0.42 0.00 -0.76 0.00 0.00 57.45 56.71 1wa6 n PHE 4 Cb 0.51 -2.40 -0.03 0.00 0.35 0.00 0.00 39.48 37.92 1wa6 n PHE 4 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1wa6 s PRO 5 N 1.20 4.21 -0.17 -7.13 0.04 -1.26 -5.01 135.00 126.88 1wa6 s PRO 5 Ca 0.86 2.19 0.01 0.00 0.04 0.00 0.00 61.00 64.10 1wa6 s PRO 5 Cb -0.92 -3.75 0.03 0.00 0.04 0.00 0.00 34.50 29.90 1wa6 s PRO 5 CO 0.49 -0.74 -0.14 0.42 0.04 0.00 0.00 177.00 177.06 1wa6 s ILE 6 N 3.14 1.67 -0.09 0.56 1.01 -1.26 -1.29 121.20 124.94 1wa6 s ILE 6 Ca 0.71 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 60.59 1wa6 s ILE 6 Cb -0.35 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.53 1wa6 s ILE 6 CO 0.30 0.38 -0.12 -0.63 0.00 0.00 0.00 174.94 174.87 1wa6 s ILE 7 N 1.43 1.24 -0.71 2.92 1.01 0.33 -4.97 121.20 122.45 1wa6 s ILE 7 Ca 0.03 -0.49 -0.21 0.00 0.00 0.00 0.00 60.65 59.98 1wa6 s ILE 7 Cb -0.14 -1.16 0.09 0.00 0.01 0.00 0.00 42.46 41.25 1wa6 s ILE 7 CO -0.10 0.39 0.98 -0.55 0.00 0.00 0.00 174.94 175.66 1wa6 s SER 8 N 1.05 6.27 0.37 3.58 0.15 -1.26 -1.04 113.70 122.82 1wa6 s SER 8 Ca -0.07 -1.25 0.04 0.00 0.70 0.00 0.00 55.95 55.38 1wa6 s SER 8 Cb -0.15 -2.41 0.71 0.00 -1.71 0.00 0.00 66.02 62.47 1wa6 s SER 8 CO -0.01 -1.34 2.03 0.25 1.20 0.00 0.00 173.24 175.36 1wa6 h LEU 9 N 11.06 0.64 -1.92 3.45 6.46 -1.23 -2.02 115.31 131.75 1wa6 h LEU 9 Ca -0.19 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 1wa6 h LEU 9 Cb 1.06 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.83 1wa6 h LEU 9 CO 1.16 0.46 0.02 -2.24 -0.62 0.00 0.00 178.44 177.23 1wa6 h ASP 10 N 0.75 0.00 0.71 1.25 -0.00 -1.36 -1.50 116.42 116.27 1wa6 h ASP 10 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.23 1wa6 h ASP 10 Cb -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.25 1wa6 h ASP 10 CO -0.04 0.00 0.00 0.29 -0.00 0.00 0.00 179.24 179.49 1wa6 n LYS 11 N -2.52 0.02 0.22 4.15 5.02 -0.76 -1.70 118.16 122.59 1wa6 n LYS 11 Ca -0.02 0.13 0.15 0.00 -2.02 0.00 0.00 58.31 56.55 1wa6 n LYS 11 Cb 0.06 -1.50 0.53 0.00 -0.02 0.00 0.00 35.03 34.10 1wa6 n LYS 11 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1wa6 h VAL 12 N 0.00 0.00 -0.06 -0.18 -1.51 -1.48 -2.06 116.25 110.97 1wa6 h VAL 12 Ca 0.00 -0.53 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1wa6 h VAL 12 Cb 0.35 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1wa6 h VAL 12 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.93 1wa6 n ASN 13 N -2.82 0.50 -1.02 4.19 3.02 -0.69 -4.71 115.26 113.73 1wa6 n ASN 13 Ca 0.02 -2.01 -0.00 0.00 -0.03 0.00 0.00 54.58 52.56 1wa6 n ASN 13 Cb 0.34 -0.11 -0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1wa6 n ASN 13 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wa6 n GLY 14 N 0.53 3.18 0.30 7.41 0.00 -1.07 -5.01 105.19 110.52 1wa6 n GLY 14 Ca 0.02 -1.39 0.16 0.00 0.00 0.00 0.00 46.02 44.81 1wa6 n GLY 14 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1wa6 h VAL 15 N 1.01 0.49 -0.01 1.61 -1.51 -1.94 -1.20 116.25 114.70 1wa6 h VAL 15 Ca -0.00 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1wa6 h VAL 15 Cb 0.01 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.19 1wa6 h VAL 15 CO 0.00 0.01 -0.01 -0.62 -1.23 0.00 0.00 177.57 175.71 1wa6 n GLU 16 N -3.78 1.19 -0.30 5.19 1.02 -1.26 -4.57 120.64 118.13 1wa6 n GLU 16 Ca -0.03 -0.37 -0.06 0.00 -0.02 0.00 0.00 57.16 56.68 1wa6 n GLU 16 Cb 0.09 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 29.99 1wa6 n GLU 16 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1wa6 h ARG 17 N 0.90 -0.10 -1.00 3.49 2.43 -0.49 -1.77 114.38 117.84 1wa6 h ARG 17 Ca 0.00 0.01 0.15 0.00 -0.81 0.00 0.00 59.98 59.33 1wa6 h ARG 17 Cb 0.23 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.71 1wa6 h ARG 17 CO 0.00 -0.07 0.62 0.00 -1.51 0.00 0.00 179.97 179.01 1wa6 h ALA 18 N 0.87 1.63 -0.11 2.80 0.00 -1.85 0.41 119.26 123.00 1wa6 h ALA 18 Ca 0.23 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 1wa6 h ALA 18 Cb 0.55 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1wa6 h ALA 18 CO -0.83 0.07 -0.73 0.00 0.00 0.00 0.00 179.25 177.75 1wa6 h ALA 19 N 1.59 0.50 0.00 0.00 0.00 -1.69 -2.37 119.26 117.29 1wa6 h ALA 19 Ca 0.53 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wa6 h ALA 19 Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1wa6 h ALA 19 CO -0.31 0.73 0.00 2.41 0.00 0.00 0.00 179.25 182.08 1wa6 n THR 20 N -3.88 0.20 -1.20 0.00 -1.04 0.13 -4.72 114.28 103.76 1wa6 n THR 20 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1wa6 n THR 20 Cb 0.71 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 1wa6 n THR 20 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1wa6 n GLU 22 N 0.89 -1.69 0.00 -2.82 4.07 -0.90 -4.67 120.64 115.52 1wa6 n GLU 22 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1wa6 n GLU 22 Cb 0.10 -1.64 0.00 0.00 -0.06 0.00 0.00 31.44 29.84 1wa6 n GLU 22 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1wa6 n ILE 24 N -0.90 0.00 -0.17 6.31 5.41 -1.26 -1.42 119.36 127.33 1wa6 n ILE 24 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 1wa6 n ILE 24 Cb 0.18 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.18 1wa6 n ILE 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1wa6 h LYS 25 N 0.00 0.32 -0.10 0.38 3.64 -1.97 -0.11 116.57 118.73 1wa6 h LYS 25 Ca 0.00 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 1wa6 h LYS 25 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1wa6 h LYS 25 CO 0.00 0.21 -0.47 0.22 -2.27 0.00 0.00 179.45 177.14 1wa6 h ASP 26 N 0.33 0.27 0.25 4.20 3.58 -1.63 -1.08 116.42 122.33 1wa6 h ASP 26 Ca 0.26 -0.12 -0.18 0.00 0.42 0.00 0.00 57.03 57.41 1wa6 h ASP 26 Cb 0.32 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1wa6 h ASP 26 CO -0.29 0.70 -0.72 0.00 -2.88 0.00 0.00 179.24 176.05 1wa6 h ALA 27 N 1.31 0.61 -0.13 -0.78 0.00 -1.74 0.70 119.26 119.22 1wa6 h ALA 27 Ca 0.01 -0.60 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 1wa6 h ALA 27 Cb 0.91 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1wa6 h ALA 27 CO 0.07 0.76 -0.49 0.00 0.00 0.00 0.00 179.25 179.59 1wa6 h GLU 29 N 0.27 0.15 0.00 0.00 5.08 -1.03 -3.36 114.58 115.69 1wa6 h GLU 29 Ca 0.01 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1wa6 h GLU 29 Cb 0.96 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1wa6 h GLU 29 CO 0.08 0.90 0.00 0.09 -1.00 0.00 0.00 179.01 179.09 1wa6 n ASN 30 N -3.30 0.37 -0.00 1.42 3.02 0.22 -4.66 115.26 112.33 1wa6 n ASN 30 Ca -0.25 -0.68 -0.00 0.00 -0.03 0.00 0.00 54.58 53.62 1wa6 n ASN 30 Cb 1.05 0.55 -0.00 0.00 -0.61 0.00 0.00 39.78 40.77 1wa6 n ASN 30 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1wa6 n TRP 31 N -0.55 0.00 -0.51 3.10 7.02 -0.32 -5.00 117.44 121.18 1wa6 n TRP 31 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1wa6 n TRP 31 Cb 0.01 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.87 1wa6 n TRP 31 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1wa6 n GLY 32 N 3.05 0.74 3.07 6.99 0.00 0.48 -4.84 105.19 114.69 1wa6 n GLY 32 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1wa6 n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wa6 s PHE 33 N -2.23 0.20 -0.03 1.61 0.40 -1.25 -2.22 117.98 114.45 1wa6 s PHE 33 Ca 0.00 -0.46 -0.24 0.00 -0.60 0.00 0.00 56.93 55.62 1wa6 s PHE 33 Cb 0.00 -0.15 0.05 0.00 0.51 0.00 0.00 43.02 43.43 1wa6 s PHE 33 CO 0.00 -0.30 0.53 -0.59 0.70 0.00 0.00 175.22 175.56 1wa6 s PHE 34 N -2.09 -0.46 -0.22 0.36 -0.12 -0.44 -4.69 117.98 110.32 1wa6 s PHE 34 Ca -0.10 0.76 -0.07 0.00 -0.05 0.00 0.00 56.93 57.47 1wa6 s PHE 34 Cb -0.04 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.60 1wa6 s PHE 34 CO -0.02 -0.53 0.06 -2.00 -0.05 0.00 0.00 175.22 172.68 1wa6 s GLU 35 N -1.31 3.75 -0.14 1.99 2.12 -0.41 -0.55 118.70 124.14 1wa6 s GLU 35 Ca -0.12 -0.44 -0.13 0.00 0.36 0.00 0.00 54.97 54.64 1wa6 s GLU 35 Cb -0.02 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 1wa6 s GLU 35 CO 0.07 -0.03 0.29 -0.51 -0.54 0.00 0.00 175.26 174.54 1wa6 s LEU 36 N 1.17 4.29 0.16 2.70 1.02 0.61 -0.51 118.68 128.11 1wa6 s LEU 36 Ca 0.04 0.55 0.07 0.00 0.02 0.00 0.00 54.13 54.82 1wa6 s LEU 36 Cb -0.14 -2.36 -0.04 0.00 0.02 0.00 0.00 46.19 43.66 1wa6 s LEU 36 CO 0.03 0.16 -0.15 0.68 0.02 0.00 0.00 176.35 177.09 1wa6 s VAL 37 N 0.12 1.58 -1.06 -1.59 -7.23 -0.21 -1.05 120.40 110.97 1wa6 s VAL 37 Ca 0.17 -1.95 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 1wa6 s VAL 37 Cb -0.13 -1.80 0.01 0.00 0.56 0.00 0.00 36.38 35.01 1wa6 s VAL 37 CO 0.05 -0.47 0.91 0.59 -0.31 0.00 0.00 175.10 175.87 1wa6 n ASN 38 N 0.13 -4.65 -0.57 4.85 3.02 -1.26 -1.37 115.26 115.41 1wa6 n ASN 38 Ca -0.12 -0.45 0.10 0.00 -0.03 0.00 0.00 54.58 54.08 1wa6 n ASN 38 Cb 0.58 -4.15 0.02 0.00 -0.61 0.00 0.00 39.78 35.62 1wa6 n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wa6 n HIS 39 N -4.26 0.00 -0.51 3.10 1.44 -1.26 -1.12 115.22 112.61 1wa6 n HIS 39 Ca -0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 1wa6 n HIS 39 Cb 0.57 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.68 1wa6 n HIS 39 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1wa6 n GLY 40 N 1.31 0.75 3.59 -1.39 0.00 -1.26 -4.99 105.19 103.20 1wa6 n GLY 40 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1wa6 n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wa6 s ILE 41 N -2.33 5.18 0.27 -0.61 1.01 -1.26 -5.06 121.20 118.41 1wa6 s ILE 41 Ca 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.75 1wa6 s ILE 41 Cb 0.00 -3.73 -0.14 0.00 0.01 0.00 0.00 42.46 38.61 1wa6 s ILE 41 CO 0.00 0.09 1.20 -2.65 0.00 0.00 0.00 174.94 173.57 1wa6 n PRO 42 N 5.34 1.69 -0.44 2.79 -0.02 -1.26 -4.90 135.00 138.21 1wa6 n PRO 42 Ca -0.09 0.60 0.36 0.00 -2.02 0.00 0.00 63.50 62.35 1wa6 n PRO 42 Cb 0.50 -2.11 0.65 0.00 -0.02 0.00 0.00 33.50 32.52 1wa6 n PRO 42 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wa6 h ARG 43 N 2.86 0.11 -0.01 -0.52 -0.00 -1.97 -2.00 114.38 112.86 1wa6 h ARG 43 Ca -0.43 -0.01 -0.18 0.00 -0.50 0.00 0.00 59.98 58.86 1wa6 h ARG 43 Cb 1.31 -0.03 -0.02 0.00 0.00 0.00 0.00 29.97 31.24 1wa6 h ARG 43 CO 0.66 0.07 -0.81 0.93 0.00 0.00 0.00 179.97 180.83 1wa6 h GLU 44 N 0.12 0.13 -0.90 0.04 5.08 -2.05 -0.91 114.58 116.09 1wa6 h GLU 44 Ca 0.79 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 1wa6 h GLU 44 Cb 2.49 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.78 1wa6 h GLU 44 CO -0.36 0.86 0.00 0.28 -1.00 0.00 0.00 179.01 178.79 1wa6 n VAL 45 N -3.67 0.17 0.00 3.13 0.31 -0.75 -1.73 118.33 115.78 1wa6 n VAL 45 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1wa6 n VAL 45 Cb 0.76 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.17 1wa6 n VAL 45 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1wa6 n ASP 47 N 0.19 0.00 0.02 4.52 10.43 -0.35 -1.04 116.55 130.33 1wa6 n ASP 47 Ca 0.00 0.00 -0.19 0.00 2.57 0.00 0.00 54.79 57.17 1wa6 n ASP 47 Cb 0.25 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 43.11 1wa6 n ASP 47 CO 0.00 0.00 0.00 0.74 -1.07 0.00 0.00 177.20 176.87 1wa6 h THR 48 N 0.00 1.29 -0.53 -3.53 2.02 -1.59 -2.50 112.91 108.06 1wa6 h THR 48 Ca 0.00 -2.17 0.01 0.00 0.77 0.00 0.00 66.41 65.02 1wa6 h THR 48 Cb 0.00 2.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 1wa6 h THR 48 CO 0.00 0.67 0.34 0.58 0.37 0.00 0.00 175.52 177.49 1wa6 h VAL 49 N 0.40 1.11 0.14 3.16 2.07 -1.35 -3.28 116.25 118.50 1wa6 h VAL 49 Ca -0.11 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1wa6 h VAL 49 Cb 1.61 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1wa6 h VAL 49 CO 0.19 0.13 -0.08 -0.08 0.02 0.00 0.00 177.57 177.75 1wa6 h GLU 50 N 0.70 -0.19 0.00 1.57 4.81 -1.80 -1.93 114.58 117.73 1wa6 h GLU 50 Ca 0.20 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1wa6 h GLU 50 Cb -0.05 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1wa6 h GLU 50 CO -0.06 -0.13 0.00 1.17 -0.73 0.00 0.00 179.01 179.27 1wa6 n LYS 51 N -2.65 0.00 0.00 1.92 4.81 -0.95 -1.43 118.16 119.86 1wa6 n LYS 51 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1wa6 n LYS 51 Cb 0.08 -0.74 0.00 0.00 0.02 0.00 0.00 35.03 34.39 1wa6 n LYS 51 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1wa6 n THR 53 N 0.00 0.00 0.17 3.15 -1.04 -0.73 -0.97 114.28 114.87 1wa6 n THR 53 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 1wa6 n THR 53 Cb 0.00 0.00 0.28 0.00 -1.82 0.00 0.00 70.33 68.79 1wa6 n THR 53 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1wa6 h LYS 54 N 0.00 0.00 0.01 -2.82 1.57 -1.49 -0.05 116.57 113.79 1wa6 h LYS 54 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1wa6 h LYS 54 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1wa6 h LYS 54 CO 0.00 0.43 -0.44 0.78 -0.57 0.00 0.00 179.45 179.65 1wa6 h GLY 55 N 2.19 0.31 1.54 3.86 0.00 -1.31 -2.48 103.07 107.18 1wa6 h GLY 55 Ca -0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 1wa6 h GLY 55 CO 0.06 0.50 0.08 0.84 0.00 0.00 0.00 176.54 178.02 1wa6 h HIS 56 N -0.34 0.59 -0.31 5.60 -0.00 -1.79 -2.46 115.15 116.44 1wa6 h HIS 56 Ca -0.06 -0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.25 1wa6 h HIS 56 Cb 1.19 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.41 1wa6 h HIS 56 CO 0.17 0.52 0.11 -0.92 -0.00 0.00 0.00 177.93 177.81 1wa6 h TYR 57 N 0.57 0.49 -0.62 5.26 -0.00 -0.91 -1.61 116.97 120.15 1wa6 h TYR 57 Ca 0.13 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.73 58.79 1wa6 h TYR 57 Cb 0.24 -0.14 -0.03 0.00 -0.00 0.00 0.00 36.73 36.79 1wa6 h TYR 57 CO 0.01 0.49 0.28 -0.22 -0.00 0.00 0.00 178.16 178.72 1wa6 h LYS 58 N 0.35 0.90 0.73 1.82 3.64 -1.18 -1.54 116.57 121.29 1wa6 h LYS 58 Ca 0.10 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1wa6 h LYS 58 Cb 0.22 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1wa6 h LYS 58 CO -0.01 0.74 -0.48 0.87 -2.27 0.00 0.00 179.45 178.30 1wa6 h LYS 59 N 0.85 -1.10 -1.93 1.90 1.79 -1.47 -0.30 116.57 116.31 1wa6 h LYS 59 Ca 0.21 0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1wa6 h LYS 59 Cb 0.15 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1wa6 h LYS 59 CO -0.02 -0.73 0.00 0.00 -1.08 0.00 0.00 179.45 177.61 1wa6 n GLU 62 N 1.30 0.00 -0.10 0.00 1.02 -0.13 -1.47 120.64 121.26 1wa6 n GLU 62 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1wa6 n GLU 62 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.49 1wa6 n GLU 62 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1wa6 h GLN 63 N 0.00 0.83 -0.13 3.49 5.75 -1.57 -2.94 115.11 120.54 1wa6 h GLN 63 Ca 0.00 -0.33 -0.12 0.00 -0.15 0.00 0.00 58.65 58.05 1wa6 h GLN 63 Cb 0.00 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 1wa6 h GLN 63 CO 0.00 0.96 -0.43 -0.09 -2.65 0.00 0.00 178.83 176.62 1wa6 h ARG 64 N 0.72 0.31 -0.39 1.69 2.43 -1.51 -2.56 114.38 115.07 1wa6 h ARG 64 Ca 0.10 -0.16 -0.15 0.00 -0.81 0.00 0.00 59.98 58.97 1wa6 h ARG 64 Cb 0.73 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1wa6 h ARG 64 CO 0.06 0.69 -0.34 0.35 -1.51 0.00 0.00 179.97 179.22 1wa6 h PHE 65 N 0.26 1.06 -0.91 2.20 3.57 -1.82 -1.16 116.94 120.14 1wa6 h PHE 65 Ca 0.02 -0.30 0.06 0.00 3.53 0.00 0.00 57.97 61.28 1wa6 h PHE 65 Cb 0.87 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 1wa6 h PHE 65 CO 0.02 1.10 0.58 0.87 -2.23 0.00 0.00 178.31 178.65 1wa6 h LYS 66 N 0.74 1.02 -0.03 1.11 1.57 -1.31 0.64 116.57 120.32 1wa6 h LYS 66 Ca 0.07 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1wa6 h LYS 66 Cb 0.92 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1wa6 h LYS 66 CO 0.08 0.68 -0.71 0.93 -0.57 0.00 0.00 179.45 179.87 1wa6 h GLU 67 N 1.06 0.16 -0.37 3.15 5.08 -1.34 -2.46 114.58 119.85 1wa6 h GLU 67 Ca 0.39 -0.13 -0.16 0.00 -1.00 0.00 0.00 59.36 58.46 1wa6 h GLU 67 Cb 0.15 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1wa6 h GLU 67 CO -0.17 0.80 -0.40 1.25 -1.00 0.00 0.00 179.01 179.49 1wa6 h LEU 68 N 0.10 0.98 -0.13 1.33 5.85 -0.69 -0.78 115.31 121.98 1wa6 h LEU 68 Ca -0.02 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 1wa6 h LEU 68 Cb 1.25 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1wa6 h LEU 68 CO 0.10 1.25 0.05 0.58 -0.34 0.00 0.00 178.44 180.08 1wa6 h VAL 69 N 0.74 1.15 -0.23 1.05 2.07 -0.74 -0.74 116.25 119.54 1wa6 h VAL 69 Ca 0.06 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1wa6 h VAL 69 Cb 0.99 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1wa6 h VAL 69 CO 0.10 0.13 0.05 0.00 0.02 0.00 0.00 177.57 177.87 1wa6 h ALA 70 N 0.89 0.31 -0.56 1.67 0.00 -1.43 -1.01 119.26 119.14 1wa6 h ALA 70 Ca 0.04 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1wa6 h ALA 70 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1wa6 h ALA 70 CO -0.00 -0.03 0.10 0.66 0.00 0.00 0.00 179.25 179.98 1wa6 h SER 71 N 0.20 0.83 -0.40 0.00 4.64 -1.07 -2.86 113.55 114.88 1wa6 h SER 71 Ca 0.07 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 1wa6 h SER 71 Cb 0.29 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1wa6 h SER 71 CO 0.00 0.83 0.09 0.11 -0.87 0.00 0.00 176.83 176.99 1wa6 h LYS 72 N 0.83 0.74 -0.79 4.77 1.79 -1.02 -2.61 116.57 120.28 1wa6 h LYS 72 Ca 0.18 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1wa6 h LYS 72 Cb 0.35 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.85 1wa6 h LYS 72 CO 0.00 0.69 0.50 0.00 -1.08 0.00 0.00 179.45 179.57 1wa6 h ALA 73 N 1.39 1.00 -0.91 3.86 0.00 -0.95 -1.83 119.26 121.81 1wa6 h ALA 73 Ca 0.15 -0.07 0.23 0.00 0.00 0.00 0.00 54.91 55.22 1wa6 h ALA 73 Cb 0.31 -0.32 -0.17 0.00 0.00 0.00 0.00 17.79 17.61 1wa6 h ALA 73 CO 0.00 0.43 -0.02 -0.07 0.00 0.00 0.00 179.25 179.59 1wa6 h LEU 74 N 1.07 -0.50 -2.35 0.00 4.07 -1.27 0.72 115.31 117.05 1wa6 h LEU 74 Ca 0.29 0.26 0.00 0.00 0.08 0.00 0.00 57.88 58.50 1wa6 h LEU 74 Cb -0.10 0.46 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1wa6 h LEU 74 CO -0.06 -0.29 0.00 -0.62 -1.08 0.00 0.00 178.44 176.39 1wa6 n GLU 75 N -5.46 3.08 -3.54 1.13 1.02 -0.76 -4.90 120.64 111.21 1wa6 n GLU 75 Ca 0.19 -1.75 -0.19 0.00 -0.02 0.00 0.00 57.16 55.39 1wa6 n GLU 75 Cb 0.62 -1.87 0.06 0.00 -0.02 0.00 0.00 31.44 30.24 1wa6 n GLU 75 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wa6 n GLY 76 N 0.44 -0.40 2.92 0.62 0.00 0.25 -5.02 105.19 104.00 1wa6 n GLY 76 Ca 0.16 0.15 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 1wa6 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wa6 s VAL 77 N -3.50 -0.07 -0.25 1.61 1.01 -0.80 -5.03 120.40 113.38 1wa6 s VAL 77 Ca 0.04 0.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.96 1wa6 s VAL 77 Cb -0.01 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 36.12 1wa6 s VAL 77 CO 0.77 0.08 0.89 -1.58 0.00 0.00 0.00 175.10 175.26 1wa6 s GLN 78 N 1.28 4.18 0.03 2.72 2.00 -1.26 -2.66 119.66 125.94 1wa6 s GLN 78 Ca -0.08 1.03 -0.30 0.00 -2.00 0.00 0.00 55.36 54.01 1wa6 s GLN 78 Cb -0.12 -3.65 -0.04 0.00 0.80 0.00 0.00 33.01 30.00 1wa6 s GLN 78 CO -0.06 -0.57 1.03 0.00 -0.50 0.00 0.00 175.29 175.19 1wa6 s ALA 79 N 2.97 3.23 0.24 1.58 0.00 -1.26 -5.05 121.76 123.47 1wa6 s ALA 79 Ca 0.37 0.62 0.06 0.00 0.00 0.00 0.00 51.96 53.01 1wa6 s ALA 79 Cb -0.15 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1wa6 s ALA 79 CO 0.08 -0.26 0.29 -1.21 0.00 0.00 0.00 175.76 174.66 1wa6 s GLU 80 N 0.90 3.24 0.57 0.00 0.41 -1.26 -4.96 118.70 117.60 1wa6 s GLU 80 Ca 0.53 -0.87 0.31 0.00 -0.41 0.00 0.00 54.97 54.53 1wa6 s GLU 80 Cb -0.23 -2.76 1.75 0.00 -1.78 0.00 0.00 34.13 31.10 1wa6 s GLU 80 CO 0.29 0.42 2.20 0.28 -0.49 0.00 0.00 175.26 177.96 1wa6 h VAL 81 N 1.32 0.47 0.00 2.63 2.07 -2.01 -1.21 116.25 119.52 1wa6 h VAL 81 Ca -0.51 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1wa6 h VAL 81 Cb 1.23 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1wa6 h VAL 81 CO 0.61 0.04 0.00 0.35 0.02 0.00 0.00 177.57 178.59 1wa6 n THR 82 N -3.67 0.34 -2.83 2.57 -2.24 -1.26 -4.90 114.28 102.29 1wa6 n THR 82 Ca -0.02 0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 1wa6 n THR 82 Cb 0.14 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 67.66 1wa6 n THR 82 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1wa6 s ASP 83 N -2.76 6.85 -0.23 3.42 1.01 -0.46 -5.16 116.67 119.33 1wa6 s ASP 83 Ca 0.17 -2.46 -0.03 0.00 0.71 0.00 0.00 52.55 50.94 1wa6 s ASP 83 Cb 0.15 -2.45 0.11 0.00 1.01 0.00 0.00 42.92 41.74 1wa6 s ASP 83 CO 0.38 -1.00 0.27 -0.62 0.21 0.00 0.00 175.17 174.42 1wa6 s ASP 85 N 3.56 1.16 0.00 0.27 2.15 -1.26 -5.03 116.67 117.52 1wa6 s ASP 85 Ca 0.43 -0.21 0.24 0.00 0.43 0.00 0.00 52.55 53.43 1wa6 s ASP 85 Cb -0.02 0.59 0.27 0.00 -0.30 0.00 0.00 42.92 43.46 1wa6 s ASP 85 CO -0.02 -0.33 1.25 0.79 -0.17 0.00 0.00 175.17 176.69 1wa6 n TRP 86 N 5.33 0.00 -2.64 -5.34 7.02 -1.26 -4.87 117.44 115.68 1wa6 n TRP 86 Ca -0.04 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.02 1wa6 n TRP 86 Cb 0.49 -0.18 -0.04 0.00 -2.42 0.00 0.00 31.31 29.17 1wa6 n TRP 86 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1wa6 s GLU 87 N -3.00 4.62 -0.13 -0.99 -6.30 -1.26 -4.12 118.70 107.50 1wa6 s GLU 87 Ca 0.10 1.54 -0.08 0.00 -2.50 0.00 0.00 54.97 54.03 1wa6 s GLU 87 Cb 0.17 -3.37 0.05 0.00 0.00 0.00 0.00 34.13 30.98 1wa6 s GLU 87 CO 0.75 0.07 0.32 0.45 0.02 0.00 0.00 175.26 176.88 1wa6 s SER 88 N 0.30 -0.38 -0.10 -1.70 0.15 -0.18 -4.99 113.70 106.81 1wa6 s SER 88 Ca 0.50 0.69 -0.06 0.00 0.70 0.00 0.00 55.95 57.78 1wa6 s SER 88 Cb -0.25 0.60 0.04 0.00 -1.71 0.00 0.00 66.02 64.69 1wa6 s SER 88 CO 0.30 -0.17 0.24 -0.89 1.20 0.00 0.00 173.24 173.93 1wa6 s THR 89 N 1.12 -0.03 0.13 6.45 2.01 -1.26 -0.45 115.64 123.61 1wa6 s THR 89 Ca -0.08 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.99 1wa6 s THR 89 Cb -0.08 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 1wa6 s THR 89 CO -0.09 0.04 0.08 0.72 -0.69 0.00 0.00 174.62 174.68 1wa6 s PHE 90 N 0.82 0.75 0.32 4.92 -0.12 -0.53 -4.97 117.98 119.17 1wa6 s PHE 90 Ca -0.06 -1.14 0.07 0.00 -0.05 0.00 0.00 56.93 55.75 1wa6 s PHE 90 Cb -0.07 -0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 41.89 1wa6 s PHE 90 CO -0.05 -0.53 0.30 -0.06 -0.05 0.00 0.00 175.22 174.83 1wa6 s PHE 91 N -4.02 2.98 -0.08 3.49 0.08 -1.26 -0.56 117.98 118.61 1wa6 s PHE 91 Ca 0.21 -0.25 -0.03 0.00 0.12 0.00 0.00 56.93 56.98 1wa6 s PHE 91 Cb 0.07 -1.75 0.05 0.00 -0.57 0.00 0.00 43.02 40.82 1wa6 s PHE 91 CO 0.00 0.22 0.15 -0.51 -0.10 0.00 0.00 175.22 174.99 1wa6 s LEU 92 N -3.99 -0.06 0.46 -0.37 1.43 -0.87 -4.98 118.68 110.30 1wa6 s LEU 92 Ca 0.40 0.30 -0.17 0.00 -1.03 0.00 0.00 54.13 53.63 1wa6 s LEU 92 Cb -0.07 0.25 -0.09 0.00 0.03 0.00 0.00 46.19 46.31 1wa6 s LEU 92 CO 0.27 -0.25 0.93 -0.54 0.23 0.00 0.00 176.35 176.99 1wa6 s LYS 93 N 2.29 4.00 0.00 1.70 -0.14 -1.26 -1.98 119.74 124.34 1wa6 s LYS 93 Ca 0.03 0.91 0.00 0.00 -1.36 0.00 0.00 55.97 55.56 1wa6 s LYS 93 Cb -0.12 -2.20 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 1wa6 s LYS 93 CO -0.06 -0.15 0.00 0.72 -0.76 0.00 0.00 175.35 175.11 1wa6 n HIS 94 N -1.22 0.00 -3.92 3.18 8.25 -0.46 -3.14 115.22 117.92 1wa6 n HIS 94 Ca 0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.41 1wa6 n HIS 94 Cb 0.54 0.05 -0.12 0.00 1.12 0.00 0.00 29.99 31.58 1wa6 n HIS 94 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1wa6 s LEU 95 N -4.43 2.02 0.52 2.41 1.02 -1.06 -2.98 118.68 116.18 1wa6 s LEU 95 Ca 0.00 -0.22 0.27 0.00 0.02 0.00 0.00 54.13 54.20 1wa6 s LEU 95 Cb 0.00 0.15 1.42 0.00 0.02 0.00 0.00 46.19 47.78 1wa6 s LEU 95 CO 0.00 -0.17 2.06 1.55 0.02 0.00 0.00 176.35 179.81 1wa6 h PRO 96 N 5.29 0.00 -4.62 1.29 0.13 -1.86 -1.93 132.00 130.30 1wa6 h PRO 96 Ca -0.28 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.26 1wa6 h PRO 96 Cb 1.21 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.98 1wa6 h PRO 96 CO 0.45 0.12 -0.83 0.42 -0.23 0.00 0.00 178.00 177.93 1wa6 s ILE 97 N -4.21 1.46 -0.47 -3.56 1.01 -1.26 -5.09 121.20 109.08 1wa6 s ILE 97 Ca -0.03 -0.58 -0.28 0.00 0.00 0.00 0.00 60.65 59.76 1wa6 s ILE 97 Cb 0.13 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 41.24 1wa6 s ILE 97 CO 0.59 0.44 1.46 -0.55 0.00 0.00 0.00 174.94 176.88 1wa6 s SER 98 N 1.34 6.17 -0.03 3.58 0.15 -1.16 -4.21 113.70 119.54 1wa6 s SER 98 Ca 0.01 0.64 0.04 0.00 0.70 0.00 0.00 55.95 57.33 1wa6 s SER 98 Cb -0.14 -2.54 0.17 0.00 -1.71 0.00 0.00 66.02 61.80 1wa6 s SER 98 CO -0.07 -1.60 0.91 -0.46 1.20 0.00 0.00 173.24 173.21 1wa6 n ASN 99 N 9.41 1.62 0.24 5.45 2.04 -1.19 -4.40 115.26 128.43 1wa6 n ASN 99 Ca 0.16 -2.13 0.09 0.00 -0.44 0.00 0.00 54.58 52.25 1wa6 n ASN 99 Cb 0.49 -0.38 0.61 0.00 -2.53 0.00 0.00 39.78 37.96 1wa6 n ASN 99 CO 0.00 0.00 0.00 0.40 -0.44 0.00 0.00 177.26 177.22 1wa6 h ILE 100 N 0.92 0.89 0.00 1.53 2.04 -1.91 -2.45 117.51 118.52 1wa6 h ILE 100 Ca 0.00 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1wa6 h ILE 100 Cb 0.61 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1wa6 h ILE 100 CO 0.07 0.15 0.00 0.77 0.00 0.00 0.00 178.15 179.14 1wa6 h SER 101 N 0.00 0.00 0.00 1.72 4.64 -1.95 -3.33 113.55 114.63 1wa6 h SER 101 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wa6 h SER 101 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1wa6 h SER 101 CO 0.02 0.00 -0.08 -0.62 -0.87 0.00 0.00 176.83 175.28 1wa6 n GLU 102 N -2.69 1.44 -3.30 4.77 1.02 -0.93 -4.99 120.64 115.96 1wa6 n GLU 102 Ca 0.03 -1.66 -0.38 0.00 -0.02 0.00 0.00 57.16 55.13 1wa6 n GLU 102 Cb 0.39 -1.02 -0.06 0.00 -0.02 0.00 0.00 31.44 30.73 1wa6 n GLU 102 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wa6 s VAL 103 N -1.36 4.88 0.34 2.62 1.01 -1.16 -5.03 120.40 121.70 1wa6 s VAL 103 Ca 0.12 1.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 1wa6 s VAL 103 Cb 0.10 -3.87 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 1wa6 s VAL 103 CO 0.01 0.50 1.47 -2.16 0.00 0.00 0.00 175.10 174.92 1wa6 s PRO 104 N -0.68 4.16 -0.58 2.72 0.04 -1.26 -4.38 135.00 135.02 1wa6 s PRO 104 Ca 0.28 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.82 1wa6 s PRO 104 Cb -0.18 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1wa6 s PRO 104 CO 0.17 -0.49 0.00 -0.25 0.04 0.00 0.00 177.00 176.47 1wa6 n ASP 105 N 0.97 -2.71 -4.57 6.66 8.00 -1.26 -5.05 116.55 118.60 1wa6 n ASP 105 Ca 0.03 0.02 -0.34 0.00 0.71 0.00 0.00 54.79 55.20 1wa6 n ASP 105 Cb 0.39 -1.89 -0.11 0.00 -0.02 0.00 0.00 41.12 39.49 1wa6 n ASP 105 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wa6 s LEU 106 N -1.83 3.24 0.46 0.64 1.43 -1.26 -5.07 118.68 116.29 1wa6 s LEU 106 Ca 0.00 -0.04 -0.23 0.00 -1.03 0.00 0.00 54.13 52.84 1wa6 s LEU 106 Cb 0.00 -1.74 -0.10 0.00 0.03 0.00 0.00 46.19 44.38 1wa6 s LEU 106 CO 0.00 0.30 0.87 0.47 0.23 0.00 0.00 176.35 178.22 1wa6 n ASP 107 N 2.66 0.56 -0.25 2.29 8.00 -1.26 -4.86 116.55 123.68 1wa6 n ASP 107 Ca -0.18 0.95 0.03 0.00 0.71 0.00 0.00 54.79 56.30 1wa6 n ASP 107 Cb 0.53 -1.29 0.16 0.00 -0.02 0.00 0.00 41.12 40.49 1wa6 n ASP 107 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1wa6 h GLU 108 N 1.13 0.57 0.00 -1.24 4.39 -2.00 -1.34 114.58 116.08 1wa6 h GLU 108 Ca -0.44 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.21 1wa6 h GLU 108 Cb 1.36 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1wa6 h GLU 108 CO 0.54 0.37 -0.06 1.05 -1.16 0.00 0.00 179.01 179.75 1wa6 h GLU 109 N 0.58 0.00 -0.10 2.33 4.11 -2.01 -1.32 114.58 118.19 1wa6 h GLU 109 Ca 0.38 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.58 1wa6 h GLU 109 Cb 0.45 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1wa6 h GLU 109 CO -0.30 0.06 -0.85 -0.92 0.07 0.00 0.00 179.01 177.07 1wa6 h TYR 110 N 0.00 0.96 -0.11 2.06 3.20 -1.62 -3.12 116.97 118.34 1wa6 h TYR 110 Ca -0.00 -0.45 -0.12 0.00 3.14 0.00 0.00 58.73 61.30 1wa6 h TYR 110 Cb 0.17 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1wa6 h TYR 110 CO 0.00 1.28 -0.47 0.00 -1.64 0.00 0.00 178.16 177.33 1wa6 h ARG 111 N 0.45 0.26 0.10 1.82 3.08 -0.62 -2.87 114.38 116.60 1wa6 h ARG 111 Ca -0.07 -0.14 -0.27 0.00 0.07 0.00 0.00 59.98 59.56 1wa6 h ARG 111 Cb 1.48 0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.55 1wa6 h ARG 111 CO 0.17 0.68 -1.18 1.05 -1.07 0.00 0.00 179.97 179.62 1wa6 h GLU 112 N 0.21 0.44 -1.49 0.04 4.11 -1.53 -1.95 114.58 114.42 1wa6 h GLU 112 Ca 0.01 -0.61 0.00 0.00 0.07 0.00 0.00 59.36 58.83 1wa6 h GLU 112 Cb 0.91 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1wa6 h GLU 112 CO 0.07 1.26 0.00 0.28 0.07 0.00 0.00 179.01 180.69 1wa6 n VAL 113 N -3.69 0.11 0.00 -1.06 0.31 -1.08 -2.03 118.33 110.88 1wa6 n VAL 113 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1wa6 n VAL 113 Cb 0.97 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 1wa6 n VAL 113 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1wa6 n ARG 115 N 0.82 0.00 -0.20 5.55 1.74 -0.73 -1.83 116.66 122.01 1wa6 n ARG 115 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1wa6 n ARG 115 Cb 0.06 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.61 1wa6 n ARG 115 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1wa6 h ASP 116 N 0.00 0.11 0.04 0.55 1.82 -1.69 -1.01 116.42 116.24 1wa6 h ASP 116 Ca 0.00 0.09 -0.11 0.00 -0.39 0.00 0.00 57.03 56.63 1wa6 h ASP 116 Cb 0.00 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 1wa6 h ASP 116 CO 0.00 0.07 -0.34 0.15 -1.61 0.00 0.00 179.24 177.51 1wa6 h PHE 117 N 0.33 0.48 -0.00 0.28 3.57 -1.62 -0.64 116.94 119.34 1wa6 h PHE 117 Ca 0.31 -0.12 -0.16 0.00 3.53 0.00 0.00 57.97 61.53 1wa6 h PHE 117 Cb 0.42 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1wa6 h PHE 117 CO -0.21 0.71 -0.73 0.00 -2.23 0.00 0.00 178.31 175.85 1wa6 h ALA 118 N 1.28 0.78 -0.25 2.41 0.00 -1.70 -2.21 119.26 119.57 1wa6 h ALA 118 Ca 0.04 -0.66 -0.16 0.00 0.00 0.00 0.00 54.91 54.14 1wa6 h ALA 118 Cb 0.77 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1wa6 h ALA 118 CO 0.06 0.90 -0.45 0.87 0.00 0.00 0.00 179.25 180.63 1wa6 h LYS 119 N 0.02 0.74 -0.28 0.00 6.56 -0.19 -2.73 116.57 120.69 1wa6 h LYS 119 Ca -0.01 -0.47 0.03 0.00 -1.06 0.00 0.00 60.65 59.14 1wa6 h LYS 119 Cb 1.29 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 32.98 1wa6 h LYS 119 CO 0.10 1.09 0.11 0.00 -2.06 0.00 0.00 179.45 178.69 1wa6 h ARG 120 N 0.47 0.23 0.00 3.15 3.08 -1.12 -2.33 114.38 117.86 1wa6 h ARG 120 Ca 0.01 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1wa6 h ARG 120 Cb 1.06 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1wa6 h ARG 120 CO 0.10 0.15 -0.45 -0.07 -1.07 0.00 0.00 179.97 178.63 1wa6 h LEU 121 N 0.24 0.00 -0.50 3.04 3.38 -1.45 -1.65 115.31 118.37 1wa6 h LEU 121 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1wa6 h LEU 121 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1wa6 h LEU 121 CO -0.12 0.45 0.20 -0.08 0.09 0.00 0.00 178.44 178.99 1wa6 h GLU 122 N 0.00 0.75 -0.38 1.13 4.81 -1.35 -0.13 114.58 119.41 1wa6 h GLU 122 Ca -0.00 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 58.95 1wa6 h GLU 122 Cb 0.83 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1wa6 h GLU 122 CO 0.06 0.66 -0.31 -0.22 -0.73 0.00 0.00 179.01 178.47 1wa6 h LYS 123 N 0.67 0.87 0.01 1.92 3.64 -1.07 -2.07 116.57 120.53 1wa6 h LYS 123 Ca 0.17 -0.43 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1wa6 h LYS 123 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1wa6 h LYS 123 CO -0.01 1.08 -0.00 1.25 -2.27 0.00 0.00 179.45 179.49 1wa6 h LEU 124 N 0.67 -0.01 -1.04 5.20 5.85 -1.27 -1.82 115.31 122.89 1wa6 h LEU 124 Ca 0.07 -0.13 0.23 0.00 0.84 0.00 0.00 57.88 58.89 1wa6 h LEU 124 Cb 0.89 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.80 1wa6 h LEU 124 CO 0.08 0.12 0.61 0.00 -0.34 0.00 0.00 178.44 178.91 1wa6 h ALA 125 N 0.86 1.80 0.04 1.25 0.00 -0.79 -0.62 119.26 121.79 1wa6 h ALA 125 Ca -0.00 0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 1wa6 h ALA 125 Cb 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1wa6 h ALA 125 CO 0.00 -0.24 -1.28 0.93 0.00 0.00 0.00 179.25 178.66 1wa6 h GLU 126 N 0.62 0.08 -0.28 0.00 5.08 -1.16 -0.37 114.58 118.55 1wa6 h GLU 126 Ca 0.62 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.82 1wa6 h GLU 126 Cb 1.16 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1wa6 h GLU 126 CO -0.43 0.94 0.09 1.49 -1.00 0.00 0.00 179.01 180.10 1wa6 h GLU 127 N 0.02 0.42 -0.21 2.33 4.81 -0.87 -1.47 114.58 119.61 1wa6 h GLU 127 Ca -0.13 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 1wa6 h GLU 127 Cb 1.89 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.19 1wa6 h GLU 127 CO 0.13 0.48 0.09 -0.07 -0.73 0.00 0.00 179.01 178.91 1wa6 h LEU 128 N 0.28 0.11 -1.09 1.64 3.38 -0.92 -1.43 115.31 117.28 1wa6 h LEU 128 Ca 0.09 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.18 1wa6 h LEU 128 Cb 0.23 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 1wa6 h LEU 128 CO -0.00 0.09 0.61 -0.07 0.09 0.00 0.00 178.44 179.16 1wa6 h LEU 129 N 0.19 0.88 -0.36 1.67 3.38 -0.97 0.47 115.31 120.57 1wa6 h LEU 129 Ca 0.09 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1wa6 h LEU 129 Cb 0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1wa6 h LEU 129 CO -0.08 0.50 0.07 0.44 0.09 0.00 0.00 178.44 179.45 1wa6 h ASP 130 N 0.96 0.56 -0.85 -0.43 3.32 -0.74 0.18 116.42 119.43 1wa6 h ASP 130 Ca 0.46 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1wa6 h ASP 130 Cb 0.44 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 1wa6 h ASP 130 CO -0.22 0.66 0.45 -0.07 -1.72 0.00 0.00 179.24 178.34 1wa6 h LEU 131 N 0.43 1.08 -0.73 1.55 3.38 -1.00 0.51 115.31 120.53 1wa6 h LEU 131 Ca 0.11 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1wa6 h LEU 131 Cb 0.34 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 1wa6 h LEU 131 CO 0.00 0.88 0.46 -0.07 0.09 0.00 0.00 178.44 179.80 1wa6 h LEU 132 N 1.20 0.75 -0.46 1.67 4.07 -0.40 -1.98 115.31 120.15 1wa6 h LEU 132 Ca 0.30 -0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.32 1wa6 h LEU 132 Cb 0.06 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 41.58 1wa6 h LEU 132 CO -0.04 0.52 0.13 0.00 -1.08 0.00 0.00 178.44 177.97 1wa6 h GLU 134 N 0.29 -0.64 -0.80 0.00 4.81 -0.55 -0.23 114.58 117.46 1wa6 h GLU 134 Ca 0.22 0.04 0.23 0.00 -0.13 0.00 0.00 59.36 59.73 1wa6 h GLU 134 Cb 0.25 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1wa6 h GLU 134 CO -0.25 -0.42 0.58 -0.91 -0.73 0.00 0.00 179.01 177.28 1wa6 h ASN 135 N -0.68 0.00 0.94 1.04 2.35 -1.01 -1.55 115.58 116.67 1wa6 h ASN 135 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1wa6 h ASN 135 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1wa6 h ASN 135 CO 0.11 0.00 -0.62 0.25 -1.65 0.00 0.00 177.43 175.52 1wa6 h LEU 136 N 0.00 0.00 0.00 1.61 5.85 -0.03 -3.48 115.31 119.26 1wa6 h LEU 136 Ca 0.38 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1wa6 h LEU 136 Cb 1.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.57 1wa6 h LEU 136 CO -0.00 0.09 0.00 0.61 -0.34 0.00 0.00 178.44 178.79 1wa6 n GLY 137 N 1.31 0.57 3.99 3.75 0.00 -0.26 -4.96 105.19 109.59 1wa6 n GLY 137 Ca 0.03 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 45.44 1wa6 n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wa6 s LEU 138 N 0.00 3.54 0.46 0.99 1.43 -0.37 -5.00 118.68 119.72 1wa6 s LEU 138 Ca 0.00 -0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 52.67 1wa6 s LEU 138 Cb 0.00 -2.76 -0.10 0.00 0.03 0.00 0.00 46.19 43.36 1wa6 s LEU 138 CO 0.00 -0.88 1.00 -0.70 0.23 0.00 0.00 176.35 176.00 1wa6 s GLU 139 N -4.50 4.00 0.21 1.70 2.12 -1.26 -4.11 118.70 116.86 1wa6 s GLU 139 Ca 0.55 1.27 -0.32 0.00 0.36 0.00 0.00 54.97 56.83 1wa6 s GLU 139 Cb -0.10 -2.16 -0.14 0.00 0.26 0.00 0.00 34.13 31.99 1wa6 s GLU 139 CO 0.35 -0.25 1.32 1.17 -0.54 0.00 0.00 175.26 177.32 1wa6 n LYS 140 N -0.77 1.71 -0.07 4.30 4.81 -1.26 -2.21 118.16 124.66 1wa6 n LYS 140 Ca 0.08 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 1wa6 n LYS 140 Cb 0.53 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.37 1wa6 n LYS 140 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wa6 n GLY 141 N 2.16 1.29 0.32 3.14 0.00 -1.26 -4.94 105.19 105.89 1wa6 n GLY 141 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1wa6 n GLY 141 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1wa6 h TYR 142 N 0.00 -0.81 -0.41 1.61 3.20 -1.83 0.41 116.97 119.14 1wa6 h TYR 142 Ca 0.00 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 1wa6 h TYR 142 Cb 0.00 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1wa6 h TYR 142 CO 0.00 -0.40 -0.07 -0.07 -1.64 0.00 0.00 178.16 175.98 1wa6 h LEU 143 N -0.50 0.78 -1.33 2.82 3.38 -1.89 0.67 115.31 119.24 1wa6 h LEU 143 Ca 0.04 -0.35 0.10 0.00 0.09 0.00 0.00 57.88 57.76 1wa6 h LEU 143 Cb 0.55 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1wa6 h LEU 143 CO -0.19 0.94 0.53 0.50 0.09 0.00 0.00 178.44 180.31 1wa6 h LYS 144 N 0.60 0.73 0.18 1.13 3.64 -1.87 -0.95 116.57 120.04 1wa6 h LYS 144 Ca 0.11 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1wa6 h LYS 144 Cb 0.58 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1wa6 h LYS 144 CO 0.03 0.48 -0.09 -0.97 -2.27 0.00 0.00 179.45 176.64 1wa6 h ASN 145 N 0.75 -0.21 -1.29 4.20 -1.24 0.43 -2.89 115.58 115.34 1wa6 h ASN 145 Ca 0.37 -0.32 0.38 0.00 0.71 0.00 0.00 56.30 57.44 1wa6 h ASN 145 Cb 0.44 0.05 -0.09 0.00 0.73 0.00 0.00 38.32 39.46 1wa6 h ASN 145 CO -0.15 0.29 0.87 0.00 -1.29 0.00 0.00 177.43 177.15 1wa6 h ALA 146 N -0.19 2.83 -0.00 1.57 0.00 -0.82 -0.18 119.26 122.47 1wa6 h ALA 146 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1wa6 h ALA 146 Cb 0.52 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1wa6 h ALA 146 CO 0.04 -1.32 -0.06 1.19 0.00 0.00 0.00 179.25 179.10 1wa6 n PHE 147 N -4.45 0.00 0.06 0.00 3.01 -0.37 -4.32 117.46 111.39 1wa6 n PHE 147 Ca 0.32 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.57 1wa6 n PHE 147 Cb 1.30 -0.15 -0.15 0.00 -0.01 0.00 0.00 39.48 40.47 1wa6 n PHE 147 CO 0.00 0.00 0.00 -0.92 1.01 0.00 0.00 176.76 176.85 1wa6 h TYR 148 N 0.48 0.61 0.00 1.38 3.20 -0.82 0.29 116.97 122.11 1wa6 h TYR 148 Ca 0.00 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.43 1wa6 h TYR 148 Cb 0.29 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1wa6 h TYR 148 CO 0.00 1.38 0.00 0.41 -1.64 0.00 0.00 178.16 178.31 1wa6 n GLY 149 N 1.69 2.46 0.68 1.82 0.00 -1.26 -0.89 105.19 109.69 1wa6 n GLY 149 Ca -0.16 -0.31 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 1wa6 n GLY 149 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wa6 n SER 150 N 7.40 1.40 0.09 1.61 3.41 -1.26 -4.76 113.62 121.51 1wa6 n SER 150 Ca 0.00 0.21 0.13 0.00 -0.26 0.00 0.00 58.87 58.95 1wa6 n SER 150 Cb 0.00 -0.48 0.37 0.00 -0.26 0.00 0.00 64.21 63.83 1wa6 n SER 150 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wa6 n LYS 151 N -3.85 0.25 0.00 4.33 4.76 -1.26 -5.07 118.16 117.33 1wa6 n LYS 151 Ca -0.06 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1wa6 n LYS 151 Cb 0.22 -1.77 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 1wa6 n LYS 151 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wa6 n GLY 152 N 1.32 2.05 3.79 0.72 0.00 -0.07 -4.77 105.19 108.23 1wa6 n GLY 152 Ca 0.05 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.58 1wa6 n GLY 152 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wa6 s PRO 153 N -1.65 3.82 0.06 1.61 0.04 -1.22 -3.41 135.00 134.25 1wa6 s PRO 153 Ca 0.00 1.44 -0.22 0.00 0.04 0.00 0.00 61.00 62.26 1wa6 s PRO 153 Cb 0.00 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 1wa6 s PRO 153 CO 0.00 -0.43 0.67 -0.80 0.04 0.00 0.00 177.00 176.48 1wa6 s ASN 154 N -1.84 7.14 -0.10 6.66 0.01 -0.22 -3.37 114.94 123.22 1wa6 s ASN 154 Ca 0.66 1.35 -0.04 0.00 -0.71 0.00 0.00 52.86 54.12 1wa6 s ASN 154 Cb -0.19 -2.42 0.05 0.00 0.41 0.00 0.00 41.25 39.11 1wa6 s ASN 154 CO 0.23 0.14 0.19 0.12 -1.51 0.00 0.00 177.10 176.27 1wa6 s PHE 155 N -0.56 -0.24 0.32 2.20 5.36 -0.72 -1.20 117.98 123.14 1wa6 s PHE 155 Ca 0.33 0.67 0.00 0.00 -0.96 0.00 0.00 56.93 56.98 1wa6 s PHE 155 Cb -0.20 -0.22 -0.00 0.00 -0.34 0.00 0.00 43.02 42.26 1wa6 s PHE 155 CO 0.21 -0.31 0.41 0.41 -1.46 0.00 0.00 175.22 174.48 1wa6 n GLY 156 N 5.33 2.36 2.80 13.12 0.00 -1.02 -1.36 105.19 126.42 1wa6 n GLY 156 Ca -0.05 -1.67 -0.18 0.00 0.00 0.00 0.00 46.02 44.12 1wa6 n GLY 156 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wa6 s THR 157 N -2.90 0.19 -0.05 2.61 2.01 -0.84 0.09 115.64 116.75 1wa6 s THR 157 Ca 0.30 0.12 -0.16 0.00 0.31 0.00 0.00 61.69 62.26 1wa6 s THR 157 Cb -0.00 -0.31 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 1wa6 s THR 157 CO 0.21 0.17 0.42 -0.75 -0.69 0.00 0.00 174.62 173.99 1wa6 s LYS 158 N 1.30 4.08 -0.20 4.92 2.20 0.21 -2.04 119.74 130.21 1wa6 s LYS 158 Ca -0.06 0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.97 1wa6 s LYS 158 Cb -0.13 -3.30 0.04 0.00 -1.51 0.00 0.00 37.83 32.92 1wa6 s LYS 158 CO -0.02 0.49 -0.15 0.08 -0.36 0.00 0.00 175.35 175.39 1wa6 s VAL 159 N -0.44 1.93 0.08 4.02 1.01 0.28 -1.17 120.40 126.10 1wa6 s VAL 159 Ca 0.24 -1.10 0.09 0.00 0.00 0.00 0.00 61.98 61.21 1wa6 s VAL 159 Cb -0.16 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1wa6 s VAL 159 CO 0.12 0.30 -0.24 -0.44 0.00 0.00 0.00 175.10 174.83 1wa6 s SER 160 N 1.29 2.94 -0.02 3.32 0.01 0.16 -1.46 113.70 119.94 1wa6 s SER 160 Ca -0.00 -0.63 -0.02 0.00 1.31 0.00 0.00 55.95 56.61 1wa6 s SER 160 Cb -0.16 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1wa6 s SER 160 CO -0.10 0.18 0.06 0.20 0.41 0.00 0.00 173.24 173.99 1wa6 s ASN 161 N -1.53 -0.04 -0.01 2.44 0.01 0.40 -1.61 114.94 114.59 1wa6 s ASN 161 Ca 0.10 0.08 -0.28 0.00 -0.71 0.00 0.00 52.86 52.05 1wa6 s ASN 161 Cb -0.10 0.12 0.09 0.00 0.41 0.00 0.00 41.25 41.77 1wa6 s ASN 161 CO 0.03 -0.04 0.78 -0.72 -1.51 0.00 0.00 177.10 175.64 1wa6 s TYR 162 N -0.08 -0.49 0.84 2.20 -0.85 -0.80 -1.01 117.35 117.15 1wa6 s TYR 162 Ca -0.01 0.61 -0.11 0.00 -0.52 0.00 0.00 57.07 57.04 1wa6 s TYR 162 Cb -0.01 0.49 0.13 0.00 0.38 0.00 0.00 41.96 42.95 1wa6 s TYR 162 CO 0.00 -0.59 1.18 -1.25 -1.52 0.00 0.00 175.55 173.37 1wa6 s PRO 163 N -2.25 1.41 0.48 -3.49 0.04 -1.26 -4.69 135.00 125.24 1wa6 s PRO 163 Ca -0.02 -0.35 -0.21 0.00 0.04 0.00 0.00 61.00 60.46 1wa6 s PRO 163 Cb -0.01 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1wa6 s PRO 163 CO -0.02 -1.85 1.08 -1.25 0.04 0.00 0.00 177.00 175.00 1wa6 s PRO 164 N -5.58 3.77 0.17 0.56 0.04 -1.26 -4.73 135.00 127.95 1wa6 s PRO 164 Ca 0.67 1.50 -0.33 0.00 0.04 0.00 0.00 61.00 62.88 1wa6 s PRO 164 Cb -0.07 -2.20 -0.15 0.00 0.04 0.00 0.00 34.50 32.12 1wa6 s PRO 164 CO 0.49 -0.48 1.34 0.00 0.04 0.00 0.00 177.00 178.39 1wa6 h PRO 166 N 4.30 0.00 -1.54 0.00 0.13 -1.94 -3.44 132.00 129.51 1wa6 h PRO 166 Ca -0.45 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.77 1wa6 h PRO 166 Cb 1.31 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.17 1wa6 h PRO 166 CO 0.76 0.21 0.45 0.21 -0.23 0.00 0.00 178.00 179.40 1wa6 s LYS 167 N -4.09 0.42 0.21 0.86 2.20 -1.26 -5.09 119.74 112.99 1wa6 s LYS 167 Ca -0.02 0.60 -0.10 0.00 -0.36 0.00 0.00 55.97 56.08 1wa6 s LYS 167 Cb 0.13 0.15 0.29 0.00 -1.51 0.00 0.00 37.83 36.90 1wa6 s LYS 167 CO 0.63 -0.07 1.68 -1.35 -0.36 0.00 0.00 175.35 175.88 1wa6 h PRO 168 N 4.99 0.16 0.00 4.03 0.11 -1.99 -1.16 132.00 138.14 1wa6 h PRO 168 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1wa6 h PRO 168 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1wa6 h PRO 168 CO 0.15 0.10 0.03 -0.25 -0.21 0.00 0.00 178.00 177.82 1wa6 n ASP 169 N -5.23 0.27 0.22 -2.05 9.92 -1.26 -0.94 116.55 117.49 1wa6 n ASP 169 Ca 0.09 0.61 0.09 0.00 -0.53 0.00 0.00 54.79 55.05 1wa6 n ASP 169 Cb 0.34 -0.64 0.51 0.00 -0.64 0.00 0.00 41.12 40.69 1wa6 n ASP 169 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1wa6 h LEU 170 N 0.00 0.00 0.00 0.64 3.38 -1.64 -3.11 115.31 114.58 1wa6 h LEU 170 Ca 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1wa6 h LEU 170 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1wa6 h LEU 170 CO 0.00 0.25 -1.15 0.40 0.09 0.00 0.00 178.44 178.03 1wa6 h ILE 171 N 0.00 1.06 0.00 1.22 1.08 -1.19 -3.41 117.51 116.27 1wa6 h ILE 171 Ca -0.00 -2.68 0.00 0.00 -0.39 0.00 0.00 64.86 61.79 1wa6 h ILE 171 Cb 0.63 2.48 0.00 0.00 -3.07 0.00 0.00 36.82 36.86 1wa6 h ILE 171 CO 0.03 0.60 0.00 1.17 -0.69 0.00 0.00 178.15 179.26 1wa6 n LYS 172 N -3.15 0.00 -1.20 2.37 4.81 -1.10 -1.37 118.16 118.52 1wa6 n LYS 172 Ca -0.06 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.16 1wa6 n LYS 172 Cb 0.90 0.00 0.16 0.00 0.02 0.00 0.00 35.03 36.11 1wa6 n LYS 172 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wa6 n GLY 173 N -0.40 4.88 3.51 3.14 0.00 -1.26 -4.98 105.19 110.09 1wa6 n GLY 173 Ca 0.00 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 1wa6 n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wa6 s LEU 174 N -3.40 3.49 0.29 0.99 1.43 -0.47 -5.07 118.68 115.94 1wa6 s LEU 174 Ca 0.56 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 53.26 1wa6 s LEU 174 Cb 0.47 -1.90 -0.10 0.00 0.03 0.00 0.00 46.19 44.70 1wa6 s LEU 174 CO 0.07 0.08 1.22 -0.13 0.23 0.00 0.00 176.35 177.81 1wa6 s ARG 175 N 0.93 4.48 0.25 1.70 0.52 -1.26 -5.05 118.95 120.52 1wa6 s ARG 175 Ca 0.03 2.02 0.01 0.00 -0.52 0.00 0.00 55.73 57.26 1wa6 s ARG 175 Cb -0.14 -3.14 0.05 0.00 0.52 0.00 0.00 34.95 32.24 1wa6 s ARG 175 CO 0.02 -0.03 0.34 0.00 0.02 0.00 0.00 175.30 175.66 1wa6 n ALA 176 N 1.23 0.19 -3.40 2.13 0.00 -1.26 -5.03 120.51 114.37 1wa6 n ALA 176 Ca 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 53.44 52.62 1wa6 n ALA 176 Cb 0.43 0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 1wa6 n ALA 176 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1wa6 s HIS 177 N -0.76 -0.03 -0.03 0.00 -3.43 -1.17 -4.95 115.29 104.93 1wa6 s HIS 177 Ca 0.24 -0.34 0.01 0.00 -0.80 0.00 0.00 55.06 54.16 1wa6 s HIS 177 Cb -0.01 0.42 -0.03 0.00 -1.43 0.00 0.00 32.58 31.52 1wa6 s HIS 177 CO 0.15 -1.00 -0.01 0.95 -2.00 0.00 0.00 174.74 172.83 1wa6 s THR 178 N -3.92 4.12 0.30 -5.38 -4.23 -1.26 -1.45 115.64 103.82 1wa6 s THR 178 Ca 0.13 -0.51 -0.29 0.00 -1.18 0.00 0.00 61.69 59.83 1wa6 s THR 178 Cb -0.02 -2.79 -0.10 0.00 1.34 0.00 0.00 72.50 70.93 1wa6 s THR 178 CO 0.02 0.46 1.26 -1.81 -0.54 0.00 0.00 174.62 174.01 1wa6 s ASP 179 N -1.31 6.90 0.10 3.99 1.01 -1.26 -4.91 116.67 121.19 1wa6 s ASP 179 Ca 0.17 2.55 0.26 0.00 0.71 0.00 0.00 52.55 56.24 1wa6 s ASP 179 Cb -0.11 -2.64 0.81 0.00 1.01 0.00 0.00 42.92 41.99 1wa6 s ASP 179 CO 0.07 -0.45 1.68 0.00 0.21 0.00 0.00 175.17 176.69 1wa6 n ALA 180 N 1.21 2.59 -1.82 5.23 0.00 -1.26 -0.87 120.51 125.60 1wa6 n ALA 180 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1wa6 n ALA 180 Cb 0.43 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1wa6 n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wa6 n GLY 181 N 1.40 1.72 0.00 0.00 0.00 -1.26 -3.74 105.19 103.31 1wa6 n GLY 181 Ca 0.06 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1wa6 n GLY 181 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wa6 n GLY 182 N 5.00 0.94 2.90 -0.02 0.00 -1.23 -2.02 105.19 110.75 1wa6 n GLY 182 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1wa6 n GLY 182 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wa6 s ILE 183 N 0.00 0.47 -0.08 -0.61 2.07 -0.84 0.08 121.20 122.29 1wa6 s ILE 183 Ca 0.00 -0.12 0.05 0.00 -1.41 0.00 0.00 60.65 59.16 1wa6 s ILE 183 Cb 0.00 -0.48 -0.01 0.00 0.13 0.00 0.00 42.46 42.10 1wa6 s ILE 183 CO 0.00 0.19 -0.23 -0.63 -1.91 0.00 0.00 174.94 172.36 1wa6 s ILE 184 N 0.67 2.15 -0.18 2.00 1.09 -0.70 -1.61 121.20 124.62 1wa6 s ILE 184 Ca -0.08 -1.01 0.01 0.00 -1.10 0.00 0.00 60.65 58.47 1wa6 s ILE 184 Cb -0.12 -1.81 0.02 0.00 -1.06 0.00 0.00 42.46 39.50 1wa6 s ILE 184 CO -0.00 0.56 -0.18 -0.76 -0.10 0.00 0.00 174.94 174.46 1wa6 s LEU 185 N 0.10 2.18 -0.16 2.97 1.43 -1.03 -0.48 118.68 123.70 1wa6 s LEU 185 Ca -0.11 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 1wa6 s LEU 185 Cb -0.16 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1wa6 s LEU 185 CO 0.06 -0.03 -0.16 -0.22 0.23 0.00 0.00 176.35 176.24 1wa6 s LEU 186 N 1.30 2.43 -0.17 1.79 2.96 -0.06 -1.35 118.68 125.59 1wa6 s LEU 186 Ca 0.04 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.45 1wa6 s LEU 186 Cb -0.14 -1.55 -0.00 0.00 0.50 0.00 0.00 46.19 45.00 1wa6 s LEU 186 CO -0.12 0.08 -0.14 0.12 -1.32 0.00 0.00 176.35 174.97 1wa6 s PHE 187 N 0.86 2.81 0.40 5.38 5.36 0.38 -1.56 117.98 131.61 1wa6 s PHE 187 Ca -0.05 -1.07 0.04 0.00 -0.96 0.00 0.00 56.93 54.89 1wa6 s PHE 187 Cb -0.15 -1.92 -0.04 0.00 -0.34 0.00 0.00 43.02 40.57 1wa6 s PHE 187 CO -0.01 -0.51 0.06 -0.65 -1.46 0.00 0.00 175.22 172.65 1wa6 s GLN 188 N 0.93 1.90 0.00 10.12 -0.21 -1.26 0.71 119.66 131.85 1wa6 s GLN 188 Ca -0.03 -2.13 0.00 0.00 0.02 0.00 0.00 55.36 53.22 1wa6 s GLN 188 Cb -0.15 -1.07 0.00 0.00 1.00 0.00 0.00 33.01 32.79 1wa6 s GLN 188 CO -0.02 -0.28 0.00 -0.40 -2.12 0.00 0.00 175.29 172.47 1wa6 n ASP 189 N -1.04 0.00 0.00 5.90 5.75 -1.26 -4.89 116.55 121.02 1wa6 n ASP 189 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1wa6 n ASP 189 Cb 0.66 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.75 1wa6 n ASP 189 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1wa6 n ASP 190 N 0.00 0.00 -0.01 -1.12 -0.08 -1.26 -4.74 116.55 109.34 1wa6 n ASP 190 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1wa6 n ASP 190 Cb 0.00 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.46 1wa6 n ASP 190 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1wa6 n LYS 191 N 0.00 0.07 -1.85 -0.67 4.81 -1.26 -4.68 118.16 114.59 1wa6 n LYS 191 Ca 0.00 0.03 -0.32 0.00 -0.87 0.00 0.00 58.31 57.14 1wa6 n LYS 191 Cb 0.00 -0.52 -0.04 0.00 0.02 0.00 0.00 35.03 34.49 1wa6 n LYS 191 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1wa6 s VAL 192 N -1.31 3.23 0.25 3.15 1.01 -1.26 -4.45 120.40 121.01 1wa6 s VAL 192 Ca -0.04 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1wa6 s VAL 192 Cb 0.01 -3.58 0.34 0.00 0.00 0.00 0.00 36.38 33.14 1wa6 s VAL 192 CO 0.06 -0.56 1.57 0.77 0.00 0.00 0.00 175.10 176.94 1wa6 h SER 193 N 15.27 -0.99 0.00 3.32 4.64 -1.84 -3.38 113.55 130.56 1wa6 h SER 193 Ca -0.15 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1wa6 h SER 193 Cb 1.14 0.60 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1wa6 h SER 193 CO 1.17 -0.30 0.00 0.61 -0.87 0.00 0.00 176.83 177.45 1wa6 n GLY 194 N -1.54 1.68 3.72 -0.77 0.00 -1.26 -4.67 105.19 102.35 1wa6 n GLY 194 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1wa6 n GLY 194 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wa6 s LEU 195 N 0.00 4.37 0.01 0.99 2.96 -1.26 -1.66 118.68 124.09 1wa6 s LEU 195 Ca 0.00 2.28 0.02 0.00 -0.22 0.00 0.00 54.13 56.21 1wa6 s LEU 195 Cb 0.00 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 1wa6 s LEU 195 CO 0.00 -0.62 -0.07 -1.10 -1.32 0.00 0.00 176.35 173.24 1wa6 s GLN 196 N 1.03 0.51 0.07 1.98 -0.21 0.62 -1.39 119.66 122.28 1wa6 s GLN 196 Ca 0.63 -0.43 0.09 0.00 0.02 0.00 0.00 55.36 55.67 1wa6 s GLN 196 Cb -0.36 -0.42 -0.03 0.00 1.00 0.00 0.00 33.01 33.20 1wa6 s GLN 196 CO 0.30 0.10 -0.25 -0.48 -2.12 0.00 0.00 175.29 172.85 1wa6 s LEU 197 N -0.70 2.22 -0.14 2.90 2.34 -0.44 -1.52 118.68 123.34 1wa6 s LEU 197 Ca -0.02 -0.63 -0.25 0.00 0.06 0.00 0.00 54.13 53.29 1wa6 s LEU 197 Cb -0.05 -1.16 -0.02 0.00 -0.56 0.00 0.00 46.19 44.40 1wa6 s LEU 197 CO 0.00 0.20 0.82 -0.22 -1.06 0.00 0.00 176.35 176.08 1wa6 s LEU 198 N -1.51 4.22 -0.12 1.48 2.96 -1.26 -0.72 118.68 123.73 1wa6 s LEU 198 Ca 0.11 1.21 -0.03 0.00 -0.22 0.00 0.00 54.13 55.20 1wa6 s LEU 198 Cb -0.10 -3.23 0.04 0.00 0.50 0.00 0.00 46.19 43.41 1wa6 s LEU 198 CO 0.03 -0.33 0.05 -0.75 -1.32 0.00 0.00 176.35 174.03 1wa6 s LYS 199 N 1.81 0.22 -1.26 1.98 2.20 -0.26 -4.85 119.74 119.58 1wa6 s LYS 199 Ca 0.39 0.04 -0.04 0.00 -0.36 0.00 0.00 55.97 56.00 1wa6 s LYS 199 Cb -0.17 -1.32 -0.01 0.00 -1.51 0.00 0.00 37.83 34.82 1wa6 s LYS 199 CO 0.15 -0.49 0.74 -0.25 -0.36 0.00 0.00 175.35 175.13 1wa6 n ASP 200 N 5.22 -2.29 0.00 1.43 8.00 -1.26 -2.18 116.55 125.47 1wa6 n ASP 200 Ca -0.06 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1wa6 n ASP 200 Cb 0.49 -4.09 0.00 0.00 -0.02 0.00 0.00 41.12 37.50 1wa6 n ASP 200 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wa6 n GLY 201 N -1.55 1.76 3.28 0.44 0.00 -1.26 -4.99 105.19 102.86 1wa6 n GLY 201 Ca -0.25 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 1wa6 n GLY 201 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wa6 s GLN 202 N -0.08 1.14 -0.17 1.61 -0.21 -0.93 -5.08 119.66 115.95 1wa6 s GLN 202 Ca 0.00 -1.48 -0.19 0.00 0.02 0.00 0.00 55.36 53.71 1wa6 s GLN 202 Cb 0.00 -0.78 -0.03 0.00 1.00 0.00 0.00 33.01 33.20 1wa6 s GLN 202 CO 0.00 0.11 0.54 -1.58 -2.12 0.00 0.00 175.29 172.25 1wa6 s TRP 203 N -3.16 3.42 -0.06 0.91 0.23 -1.26 -1.11 118.94 117.91 1wa6 s TRP 203 Ca 0.18 0.87 0.06 0.00 -2.03 0.00 0.00 56.10 55.17 1wa6 s TRP 203 Cb 0.01 -2.68 -0.01 0.00 0.03 0.00 0.00 33.47 30.82 1wa6 s TRP 203 CO 0.02 -0.04 -0.24 0.42 0.96 0.00 0.00 176.95 178.08 1wa6 s ILE 204 N 1.39 2.13 0.08 2.03 1.01 0.10 -4.92 121.20 123.02 1wa6 s ILE 204 Ca 0.26 -1.04 -0.25 0.00 0.00 0.00 0.00 60.65 59.63 1wa6 s ILE 204 Cb -0.16 -1.78 -0.06 0.00 0.01 0.00 0.00 42.46 40.47 1wa6 s ILE 204 CO 0.10 0.57 0.75 -1.81 0.00 0.00 0.00 174.94 174.55 1wa6 s ASP 205 N -0.12 7.25 0.03 3.58 1.01 -1.26 -1.32 116.67 125.83 1wa6 s ASP 205 Ca -0.05 1.49 -0.32 0.00 0.71 0.00 0.00 52.55 54.38 1wa6 s ASP 205 Cb -0.14 -2.47 -0.11 0.00 1.01 0.00 0.00 42.92 41.21 1wa6 s ASP 205 CO 0.04 0.09 1.86 0.52 0.21 0.00 0.00 175.17 177.89 1wa6 n VAL 206 N 2.38 0.50 -2.22 -1.27 0.31 -0.48 -4.96 118.33 112.58 1wa6 n VAL 206 Ca -0.04 -0.09 -0.41 0.00 -0.01 0.00 0.00 64.34 63.79 1wa6 n VAL 206 Cb 0.50 -2.01 -0.03 0.00 -0.91 0.00 0.00 33.84 31.39 1wa6 n VAL 206 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1wa6 s PRO 207 N 3.40 4.40 0.69 5.55 0.02 -1.26 -4.72 135.00 143.08 1wa6 s PRO 207 Ca 0.87 2.06 -0.15 0.00 0.02 0.00 0.00 61.00 63.80 1wa6 s PRO 207 Cb -0.57 -3.18 0.02 0.00 0.02 0.00 0.00 34.50 30.79 1wa6 s PRO 207 CO 0.44 -0.22 1.15 -1.25 -0.33 0.00 0.00 177.00 176.79 1wa6 s PRO 208 N -0.42 2.52 -0.13 5.54 0.04 -1.26 -4.96 135.00 136.32 1wa6 s PRO 208 Ca 0.55 1.55 -0.09 0.00 0.04 0.00 0.00 61.00 63.05 1wa6 s PRO 208 Cb -0.37 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.31 1wa6 s PRO 208 CO 0.40 -1.50 0.32 0.50 0.04 0.00 0.00 177.00 176.77 1wa6 s ARG 210 N -4.00 0.34 -1.39 4.56 3.52 -1.26 -5.00 118.95 115.71 1wa6 s ARG 210 Ca 0.70 0.54 -0.05 0.00 -0.13 0.00 0.00 55.73 56.79 1wa6 s ARG 210 Cb -0.24 0.07 0.03 0.00 -1.56 0.00 0.00 34.95 33.25 1wa6 s ARG 210 CO 0.43 -0.09 0.38 0.72 -0.81 0.00 0.00 175.30 175.92 1wa6 n HIS 211 N 3.48 -1.69 -2.52 5.12 8.25 -1.26 -4.97 115.22 121.63 1wa6 n HIS 211 Ca -0.18 0.34 -0.25 0.00 -0.26 0.00 0.00 57.72 57.37 1wa6 n HIS 211 Cb 0.56 -3.59 0.03 0.00 1.12 0.00 0.00 29.99 28.11 1wa6 n HIS 211 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1wa6 s SER 212 N -2.50 5.54 -0.05 0.41 1.04 -1.26 -4.74 113.70 112.14 1wa6 s SER 212 Ca 0.24 0.54 0.02 0.00 0.48 0.00 0.00 55.95 57.23 1wa6 s SER 212 Cb -0.12 -1.54 0.01 0.00 0.10 0.00 0.00 66.02 64.47 1wa6 s SER 212 CO 0.29 -1.05 -0.11 -0.63 0.98 0.00 0.00 173.24 172.73 1wa6 s ILE 213 N -2.91 1.01 -0.24 -1.02 -1.09 -0.21 -4.68 121.20 112.06 1wa6 s ILE 213 Ca 0.54 -0.44 -0.09 0.00 -2.23 0.00 0.00 60.65 58.43 1wa6 s ILE 213 Cb -0.10 -0.91 -0.04 0.00 -1.58 0.00 0.00 42.46 39.82 1wa6 s ILE 213 CO 0.43 0.32 0.12 -0.69 -1.23 0.00 0.00 174.94 173.89 1wa6 s VAL 214 N 0.47 4.93 -0.10 2.92 1.01 -0.60 -0.29 120.40 128.75 1wa6 s VAL 214 Ca -0.10 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1wa6 s VAL 214 Cb -0.13 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1wa6 s VAL 214 CO 0.02 0.34 -0.03 -0.69 0.00 0.00 0.00 175.10 174.74 1wa6 s VAL 215 N 1.31 4.05 0.01 2.92 1.01 0.28 -0.88 120.40 129.10 1wa6 s VAL 215 Ca 0.06 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 1wa6 s VAL 215 Cb -0.15 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.53 1wa6 s VAL 215 CO 0.05 0.58 0.16 0.54 0.00 0.00 0.00 175.10 176.43 1wa6 s ASN 216 N -0.59 0.02 -0.01 3.32 4.22 0.37 -1.32 114.94 120.95 1wa6 s ASN 216 Ca 0.09 -0.22 -0.09 0.00 -2.14 0.00 0.00 52.86 50.51 1wa6 s ASN 216 Cb -0.12 0.23 -0.05 0.00 1.28 0.00 0.00 41.25 42.59 1wa6 s ASN 216 CO 0.02 -0.41 0.29 -0.76 -2.04 0.00 0.00 177.10 174.20 1wa6 s LEU 217 N -1.51 4.39 0.72 3.54 1.43 -0.94 -1.73 118.68 124.58 1wa6 s LEU 217 Ca -0.13 0.66 -0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1wa6 s LEU 217 Cb -0.06 -2.58 0.12 0.00 0.03 0.00 0.00 46.19 43.69 1wa6 s LEU 217 CO 0.01 0.29 0.99 -0.83 0.23 0.00 0.00 176.35 177.04 1wa6 s GLY 218 N -1.45 1.76 0.27 -3.19 0.00 0.11 -4.26 107.32 100.56 1wa6 s GLY 218 Ca 0.25 -1.62 -0.00 0.00 0.00 0.00 0.00 44.72 43.35 1wa6 s GLY 218 CO 0.13 -1.08 1.66 -0.55 0.00 0.00 0.00 173.10 173.27 1wa6 h ASP 219 N -0.53 0.01 -0.33 1.64 5.19 -0.94 -2.79 116.42 118.66 1wa6 h ASP 219 Ca -0.38 0.18 0.02 0.00 -0.62 0.00 0.00 57.03 56.23 1wa6 h ASP 219 Cb 1.27 0.24 -0.02 0.00 0.18 0.00 0.00 39.33 41.00 1wa6 h ASP 219 CO 0.42 -0.11 0.19 1.56 -3.12 0.00 0.00 179.24 178.18 1wa6 h GLN 220 N 0.24 0.37 -0.24 3.56 1.08 -1.49 -2.14 115.11 116.48 1wa6 h GLN 220 Ca 0.50 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.64 1wa6 h GLN 220 Cb 0.96 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 1wa6 h GLN 220 CO -0.61 0.24 -0.04 -0.07 -0.95 0.00 0.00 178.83 177.41 1wa6 h LEU 221 N 0.38 0.34 -1.15 1.46 3.38 -1.67 -0.85 115.31 117.19 1wa6 h LEU 221 Ca 0.13 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1wa6 h LEU 221 Cb 0.01 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1wa6 h LEU 221 CO -0.07 0.43 0.50 -0.08 0.09 0.00 0.00 178.44 179.31 1wa6 h GLU 222 N 0.35 1.08 0.20 1.13 4.81 -1.21 -2.45 114.58 118.49 1wa6 h GLU 222 Ca 0.08 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1wa6 h GLU 222 Cb 0.30 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1wa6 h GLU 222 CO 0.01 0.74 -0.10 0.28 -0.73 0.00 0.00 179.01 179.21 1wa6 h VAL 223 N 1.10 0.83 -0.19 0.32 2.07 -0.67 0.48 116.25 120.20 1wa6 h VAL 223 Ca 0.29 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.93 1wa6 h VAL 223 Cb -0.08 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1wa6 h VAL 223 CO -0.06 0.19 0.21 0.40 0.02 0.00 0.00 177.57 178.33 1wa6 h ILE 224 N -0.79 0.46 -0.67 4.57 2.04 -1.29 0.27 117.51 122.10 1wa6 h ILE 224 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1wa6 h ILE 224 Cb 0.51 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1wa6 h ILE 224 CO 0.05 0.00 0.00 0.35 0.00 0.00 0.00 178.15 178.55 1wa6 n THR 225 N -3.79 0.89 -4.04 -0.27 -2.24 -0.93 -1.55 114.28 102.35 1wa6 n THR 225 Ca 0.02 -0.90 -0.31 0.00 -2.27 0.00 0.00 64.05 60.58 1wa6 n THR 225 Cb 0.34 0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 69.05 1wa6 n THR 225 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1wa6 n ASN 226 N 1.50 -2.86 0.00 3.42 5.15 0.95 -1.33 115.26 122.09 1wa6 n ASN 226 Ca 0.23 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 53.27 1wa6 n ASN 226 Cb 0.58 -3.23 0.00 0.00 -0.53 0.00 0.00 39.78 36.60 1wa6 n ASN 226 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wa6 n GLY 227 N -1.64 0.86 0.26 8.20 0.00 0.13 -4.91 105.19 108.09 1wa6 n GLY 227 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1wa6 n GLY 227 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wa6 h LYS 228 N 3.78 0.91 -4.42 1.61 1.63 -1.42 -3.36 116.57 115.30 1wa6 h LYS 228 Ca 0.00 -0.50 -0.71 0.00 -0.85 0.00 0.00 60.65 58.59 1wa6 h LYS 228 Cb 0.00 0.03 -0.31 0.00 -0.60 0.00 0.00 32.23 31.35 1wa6 h LYS 228 CO 0.00 1.15 -0.48 0.71 -3.45 0.00 0.00 179.45 177.38 1wa6 s TYR 229 N -4.34 3.45 0.05 1.91 2.02 -1.26 -4.63 117.35 114.56 1wa6 s TYR 229 Ca -0.11 -1.98 -0.29 0.00 -0.37 0.00 0.00 57.07 54.32 1wa6 s TYR 229 Cb 0.11 -3.22 -0.05 0.00 -0.40 0.00 0.00 41.96 38.41 1wa6 s TYR 229 CO 0.88 -0.95 0.93 0.15 -1.57 0.00 0.00 175.55 174.99 1wa6 s LYS 230 N 1.30 4.61 0.21 -0.62 1.02 -1.26 -3.26 119.74 121.73 1wa6 s LYS 230 Ca 0.05 1.35 -0.30 0.00 0.02 0.00 0.00 55.97 57.10 1wa6 s LYS 230 Cb -0.24 -3.41 -0.08 0.00 -0.52 0.00 0.00 37.83 33.58 1wa6 s LYS 230 CO -0.01 0.12 1.12 -1.54 -0.92 0.00 0.00 175.35 174.12 1wa6 s SER 231 N 0.41 7.22 0.00 2.83 1.04 -1.26 -4.46 113.70 119.48 1wa6 s SER 231 Ca 0.47 2.18 0.00 0.00 0.48 0.00 0.00 55.95 59.08 1wa6 s SER 231 Cb -0.22 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.29 1wa6 s SER 231 CO 0.28 -0.23 0.00 0.52 0.98 0.00 0.00 173.24 174.78 1wa6 n VAL 232 N 2.04 0.00 0.00 5.02 0.31 -1.26 -4.95 118.33 119.50 1wa6 n VAL 232 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1wa6 n VAL 232 Cb 0.45 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 1wa6 n VAL 232 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wa6 n HIS 234 N 0.00 0.00 -3.69 3.52 1.44 -0.53 -4.50 115.22 111.46 1wa6 n HIS 234 Ca 0.00 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.62 1wa6 n HIS 234 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 1wa6 n HIS 234 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 1wa6 s ARG 235 N -1.72 1.50 -0.05 -1.40 1.70 -0.58 -3.03 118.95 115.37 1wa6 s ARG 235 Ca 0.00 -0.80 -0.01 0.00 -0.47 0.00 0.00 55.73 54.45 1wa6 s ARG 235 Cb 0.00 0.57 0.03 0.00 -0.57 0.00 0.00 34.95 34.98 1wa6 s ARG 235 CO 0.00 -0.66 0.04 0.54 -1.08 0.00 0.00 175.30 174.14 1wa6 s VAL 236 N -3.86 0.06 0.02 4.99 0.11 -1.26 -0.27 120.40 120.18 1wa6 s VAL 236 Ca 0.08 0.29 0.08 0.00 -2.93 0.00 0.00 61.98 59.50 1wa6 s VAL 236 Cb -0.03 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.54 1wa6 s VAL 236 CO -0.02 0.19 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.08 1wa6 s ILE 237 N 1.91 1.87 -0.10 7.04 1.09 -0.67 -4.90 121.20 127.44 1wa6 s ILE 237 Ca 0.02 -1.17 -0.17 0.00 -1.10 0.00 0.00 60.65 58.24 1wa6 s ILE 237 Cb -0.12 -1.59 -0.05 0.00 -1.06 0.00 0.00 42.46 39.64 1wa6 s ILE 237 CO -0.03 0.38 0.45 0.00 -0.10 0.00 0.00 174.94 175.63 1wa6 s ALA 238 N -0.69 3.53 -0.14 9.38 0.00 -1.26 -4.11 121.76 128.47 1wa6 s ALA 238 Ca 0.09 -0.22 -0.08 0.00 0.00 0.00 0.00 51.96 51.75 1wa6 s ALA 238 Cb -0.09 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1wa6 s ALA 238 CO 0.01 0.10 0.15 -0.65 0.00 0.00 0.00 175.76 175.37 1wa6 s GLN 239 N 0.27 3.65 0.29 0.00 -1.52 -1.26 -2.05 119.66 119.03 1wa6 s GLN 239 Ca 0.24 -0.13 0.03 0.00 -1.95 0.00 0.00 55.36 53.55 1wa6 s GLN 239 Cb -0.15 -3.25 0.69 0.00 -0.22 0.00 0.00 33.01 30.08 1wa6 s GLN 239 CO 0.10 0.65 1.73 -0.22 -0.25 0.00 0.00 175.29 177.30 1wa6 h LYS 240 N 5.41 0.51 -0.29 2.91 3.64 -1.93 -2.98 116.57 123.84 1wa6 h LYS 240 Ca -0.51 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.88 1wa6 h LYS 240 Cb 1.21 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.84 1wa6 h LYS 240 CO 0.63 0.34 -0.53 0.22 -2.27 0.00 0.00 179.45 177.84 1wa6 h ASP 241 N 0.53 -1.72 0.00 4.20 1.82 -1.96 -3.48 116.42 115.81 1wa6 h ASP 241 Ca 0.54 0.22 0.00 0.00 -0.39 0.00 0.00 57.03 57.41 1wa6 h ASP 241 Cb 0.95 0.70 0.00 0.00 0.68 0.00 0.00 39.33 41.66 1wa6 h ASP 241 CO -0.46 -0.43 0.00 0.61 -1.61 0.00 0.00 179.24 177.35 1wa6 n GLY 242 N -1.41 -1.10 1.53 -0.78 0.00 -1.13 -4.92 105.19 97.39 1wa6 n GLY 242 Ca -0.04 -0.98 -0.00 0.00 0.00 0.00 0.00 46.02 45.00 1wa6 n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa6 n ALA 243 N 0.00 -3.01 -1.74 4.61 0.00 -1.26 -4.23 120.51 114.88 1wa6 n ALA 243 Ca 0.00 0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.18 1wa6 n ALA 243 Cb 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 19.45 19.46 1wa6 n ALA 243 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1wa6 n ARG 244 N -0.04 3.21 -3.65 0.00 1.85 -1.26 -4.31 116.66 112.46 1wa6 n ARG 244 Ca 0.00 -3.81 0.01 0.00 -1.00 0.00 0.00 57.85 53.06 1wa6 n ARG 244 Cb 0.00 -2.27 -0.06 0.00 -1.05 0.00 0.00 32.46 29.08 1wa6 n ARG 244 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1wa6 s SER 246 N -2.90 -0.08 -0.35 2.89 0.01 -0.63 -1.91 113.70 110.72 1wa6 s SER 246 Ca 0.56 0.14 -0.07 0.00 1.31 0.00 0.00 55.95 57.89 1wa6 s SER 246 Cb 0.45 0.90 0.05 0.00 0.21 0.00 0.00 66.02 67.62 1wa6 s SER 246 CO 0.02 -0.02 0.12 -0.76 0.41 0.00 0.00 173.24 173.01 1wa6 s LEU 247 N 0.90 4.44 -0.37 2.44 1.02 0.22 -0.67 118.68 126.66 1wa6 s LEU 247 Ca -0.06 -1.21 -0.09 0.00 0.02 0.00 0.00 54.13 52.79 1wa6 s LEU 247 Cb -0.03 -1.88 0.05 0.00 0.02 0.00 0.00 46.19 44.35 1wa6 s LEU 247 CO -0.11 -0.36 0.18 0.00 0.02 0.00 0.00 176.35 176.08 1wa6 s ALA 248 N 1.39 3.19 -0.18 4.21 0.00 -0.32 -0.47 121.76 129.58 1wa6 s ALA 248 Ca -0.01 -1.85 -0.09 0.00 0.00 0.00 0.00 51.96 50.02 1wa6 s ALA 248 Cb -0.20 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.40 1wa6 s ALA 248 CO 0.02 -1.44 0.11 -1.12 0.00 0.00 0.00 175.76 173.33 1wa6 s SER 249 N 1.64 6.03 -0.22 0.00 0.01 -0.46 -0.62 113.70 120.08 1wa6 s SER 249 Ca 0.01 0.21 -0.04 0.00 1.31 0.00 0.00 55.95 57.44 1wa6 s SER 249 Cb -0.20 -2.03 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 1wa6 s SER 249 CO 0.04 0.21 -0.04 -0.36 0.41 0.00 0.00 173.24 173.50 1wa6 s PHE 250 N 0.15 2.96 -0.65 2.43 0.08 0.11 -2.47 117.98 120.59 1wa6 s PHE 250 Ca 0.08 -0.94 -0.11 0.00 0.12 0.00 0.00 56.93 56.08 1wa6 s PHE 250 Cb -0.12 -2.10 0.17 0.00 -0.57 0.00 0.00 43.02 40.40 1wa6 s PHE 250 CO -0.01 -0.55 0.55 -0.47 -0.10 0.00 0.00 175.22 174.64 1wa6 s TYR 251 N 1.47 3.53 0.24 0.36 5.04 -0.63 -2.42 117.35 124.93 1wa6 s TYR 251 Ca 0.06 -2.03 0.08 0.00 -2.44 0.00 0.00 57.07 52.74 1wa6 s TYR 251 Cb -0.14 -3.60 -0.04 0.00 0.35 0.00 0.00 41.96 38.53 1wa6 s TYR 251 CO -0.03 -0.96 0.10 -0.80 -1.34 0.00 0.00 175.55 172.52 1wa6 s ASN 252 N 2.17 5.13 0.61 4.32 0.01 -0.34 -1.98 114.94 124.85 1wa6 s ASN 252 Ca 0.12 -0.38 -0.18 0.00 -0.71 0.00 0.00 52.86 51.71 1wa6 s ASN 252 Cb -0.19 -1.19 -0.04 0.00 0.41 0.00 0.00 41.25 40.24 1wa6 s ASN 252 CO -0.04 -0.00 1.05 -2.65 -1.51 0.00 0.00 177.10 173.95 1wa6 n PRO 253 N -0.88 0.97 -1.34 -0.60 -0.02 -1.26 -1.06 135.00 130.80 1wa6 n PRO 253 Ca -0.08 0.38 -0.34 0.00 -2.02 0.00 0.00 63.50 61.44 1wa6 n PRO 253 Cb 0.58 -2.26 0.11 0.00 -0.02 0.00 0.00 33.50 31.90 1wa6 n PRO 253 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1wa6 s GLY 254 N -1.27 2.36 0.15 -1.23 0.00 0.09 -3.97 107.32 103.46 1wa6 s GLY 254 Ca 0.77 0.93 -0.25 0.00 0.00 0.00 0.00 44.72 46.17 1wa6 s GLY 254 CO 0.46 1.35 1.60 1.76 0.00 0.00 0.00 173.10 178.26 1wa6 h SER 255 N -0.43 -1.12 0.00 1.64 0.02 -1.92 -1.14 113.55 110.61 1wa6 h SER 255 Ca -0.48 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1wa6 h SER 255 Cb 1.30 0.49 0.00 0.00 0.14 0.00 0.00 62.40 64.34 1wa6 h SER 255 CO 0.49 -0.35 0.00 -0.90 -1.14 0.00 0.00 176.83 174.92 1wa6 n ASP 256 N -5.42 0.00 -4.77 3.07 5.75 -1.26 -1.44 116.55 112.49 1wa6 n ASP 256 Ca -0.01 -1.34 -0.38 0.00 -0.01 0.00 0.00 54.79 53.05 1wa6 n ASP 256 Cb 0.34 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.41 1wa6 n ASP 256 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wa6 s ALA 257 N -2.00 3.16 -0.34 2.12 0.00 -0.43 -4.78 121.76 119.49 1wa6 s ALA 257 Ca 0.23 1.01 -0.13 0.00 0.00 0.00 0.00 51.96 53.07 1wa6 s ALA 257 Cb 0.11 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 1wa6 s ALA 257 CO 0.18 -0.58 0.24 0.08 0.00 0.00 0.00 175.76 175.68 1wa6 s VAL 258 N -1.39 5.28 -0.02 0.00 1.01 -1.26 -0.43 120.40 123.58 1wa6 s VAL 258 Ca 0.57 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.35 1wa6 s VAL 258 Cb -0.32 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1wa6 s VAL 258 CO 0.40 -0.01 0.04 -0.63 0.00 0.00 0.00 175.10 174.90 1wa6 s ILE 259 N 1.73 4.44 0.00 2.22 -1.09 1.00 -4.91 121.20 124.59 1wa6 s ILE 259 Ca 0.06 -0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.05 1wa6 s ILE 259 Cb -0.17 -2.98 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 1wa6 s ILE 259 CO 0.11 0.42 0.00 0.00 -1.23 0.00 0.00 174.94 174.23 1wa6 n TYR 260 N 1.47 0.00 -1.83 3.97 0.18 -1.26 -1.96 117.16 117.74 1wa6 n TYR 260 Ca -0.15 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.21 1wa6 n TYR 260 Cb 0.53 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.46 1wa6 n TYR 260 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1wa6 s PRO 261 N -1.96 4.17 -0.25 -3.48 0.04 -1.23 -4.34 135.00 127.95 1wa6 s PRO 261 Ca 0.00 2.44 -0.43 0.00 0.04 0.00 0.00 61.00 63.05 1wa6 s PRO 261 Cb 0.00 -3.72 -0.19 0.00 0.04 0.00 0.00 34.50 30.63 1wa6 s PRO 261 CO 0.00 -0.81 1.39 0.00 0.04 0.00 0.00 177.00 177.61 1wa6 n ALA 262 N 6.06 -2.15 -0.25 8.56 0.00 -0.60 -4.85 120.51 127.28 1wa6 n ALA 262 Ca 0.17 0.53 0.11 0.00 0.00 0.00 0.00 53.44 54.26 1wa6 n ALA 262 Cb 0.40 -1.89 0.38 0.00 0.00 0.00 0.00 19.45 18.34 1wa6 n ALA 262 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1wa6 h PRO 263 N 4.36 0.66 -0.10 0.00 0.11 -1.91 -0.58 132.00 134.53 1wa6 h PRO 263 Ca -0.47 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1wa6 h PRO 263 Cb 1.39 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1wa6 h PRO 263 CO 0.84 0.44 -0.24 0.00 -0.21 0.00 0.00 178.00 178.83 1wa6 h ALA 264 N 1.60 1.41 -0.12 -0.75 0.00 -1.98 -2.46 119.26 116.96 1wa6 h ALA 264 Ca 0.42 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wa6 h ALA 264 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1wa6 h ALA 264 CO -0.18 0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.76 1wa6 n LEU 265 N -4.19 1.25 -4.52 0.00 4.32 -0.23 -5.16 117.00 108.47 1wa6 n LEU 265 Ca -0.01 -0.63 -0.26 0.00 -0.02 0.00 0.00 56.01 55.08 1wa6 n LEU 265 Cb 0.34 -0.30 -0.10 0.00 -1.62 0.00 0.00 43.42 41.74 1wa6 n LEU 265 CO 0.39 0.24 -0.45 -0.69 -1.22 0.00 0.00 177.39 175.66 1wa6 s VAL 266 N -1.59 2.89 1.11 4.08 1.01 -0.93 -4.75 120.40 122.21 1wa6 s VAL 266 Ca 0.09 -1.83 -0.16 0.00 0.00 0.00 0.00 61.98 60.09 1wa6 s VAL 266 Cb 0.06 -2.43 0.22 0.00 0.00 0.00 0.00 36.38 34.23 1wa6 s VAL 266 CO 0.05 -0.14 0.45 0.00 0.00 0.00 0.00 175.10 175.45 1wa6 n GLN 275 N 0.04 -2.80 -2.87 2.72 1.13 -1.26 -5.08 117.38 109.26 1wa6 n GLN 275 Ca -0.11 -0.83 -0.41 0.00 -1.94 0.00 0.00 57.00 53.72 1wa6 n GLN 275 Cb 0.56 -1.58 -0.04 0.00 0.11 0.00 0.00 30.24 29.28 1wa6 n GLN 275 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1wa6 s VAL 276 N -2.09 4.73 0.77 5.09 1.01 -1.26 -4.98 120.40 123.66 1wa6 s VAL 276 Ca 0.44 1.81 -0.11 0.00 0.00 0.00 0.00 61.98 64.11 1wa6 s VAL 276 Cb -0.08 -4.20 0.05 0.00 0.00 0.00 0.00 36.38 32.15 1wa6 s VAL 276 CO 0.40 0.30 1.08 -0.31 0.00 0.00 0.00 175.10 176.57 1wa6 s TYR 277 N 0.25 2.85 0.90 5.22 1.51 -1.26 -5.01 117.35 121.82 1wa6 s TYR 277 Ca 0.43 1.28 -0.12 0.00 -1.01 0.00 0.00 57.07 57.65 1wa6 s TYR 277 Cb -0.21 -3.04 0.13 0.00 -0.11 0.00 0.00 41.96 38.73 1wa6 s TYR 277 CO 0.25 -1.66 1.11 -1.25 -1.11 0.00 0.00 175.55 172.89 1wa6 s PRO 278 N -5.08 1.19 0.06 -1.71 0.04 -1.26 -4.66 135.00 123.58 1wa6 s PRO 278 Ca 0.60 0.55 0.05 0.00 0.04 0.00 0.00 61.00 62.24 1wa6 s PRO 278 Cb -0.15 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1wa6 s PRO 278 CO 0.55 -2.22 -0.07 0.21 0.04 0.00 0.00 177.00 175.51 1wa6 s LYS 279 N -5.09 2.38 0.00 4.56 2.20 -1.26 -4.28 119.74 118.26 1wa6 s LYS 279 Ca 0.63 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 55.38 1wa6 s LYS 279 Cb -0.16 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.73 1wa6 s LYS 279 CO 0.55 0.55 0.00 1.97 -0.36 0.00 0.00 175.35 178.07 1wa6 n PHE 280 N 1.05 0.00 -3.41 4.03 -1.74 -0.83 -4.98 117.46 111.58 1wa6 n PHE 280 Ca -0.14 0.00 -0.38 0.00 -0.56 0.00 0.00 57.45 56.37 1wa6 n PHE 280 Cb 0.52 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.46 1wa6 n PHE 280 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1wa6 s VAL 281 N -2.00 4.99 0.25 1.97 1.01 -1.26 -0.00 120.40 125.36 1wa6 s VAL 281 Ca 0.00 0.95 -0.04 0.00 0.00 0.00 0.00 61.98 62.89 1wa6 s VAL 281 Cb 0.00 -3.78 0.22 0.00 0.00 0.00 0.00 36.38 32.82 1wa6 s VAL 281 CO 0.00 0.52 1.75 0.15 0.00 0.00 0.00 175.10 177.52 1wa6 h PHE 282 N 5.07 0.61 -0.13 5.22 3.57 -0.83 -1.50 116.94 128.95 1wa6 h PHE 282 Ca -0.49 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1wa6 h PHE 282 Cb 1.21 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1wa6 h PHE 282 CO 0.68 0.13 0.08 0.22 -2.23 0.00 0.00 178.31 177.20 1wa6 h ASP 283 N 0.53 0.15 0.88 0.41 -0.00 -1.52 0.24 116.42 117.12 1wa6 h ASP 283 Ca 0.41 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.44 1wa6 h ASP 283 Cb 0.58 -0.04 0.00 0.00 -0.00 0.00 0.00 39.33 39.87 1wa6 h ASP 283 CO -0.36 0.12 0.00 0.44 -0.00 0.00 0.00 179.24 179.43 1wa6 h ASP 284 N 0.18 0.00 -0.11 2.28 3.32 -1.57 -1.52 116.42 119.00 1wa6 h ASP 284 Ca 0.05 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1wa6 h ASP 284 Cb -0.01 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1wa6 h ASP 284 CO -0.01 0.00 0.05 0.00 -1.72 0.00 0.00 179.24 177.56 1wa6 n TYR 285 N -2.48 0.37 0.00 4.55 9.36 0.86 -2.27 117.16 127.56 1wa6 n TYR 285 Ca 0.02 -0.40 0.00 0.00 3.32 0.00 0.00 57.90 60.84 1wa6 n TYR 285 Cb 0.27 -0.26 0.00 0.00 -0.63 0.00 0.00 39.34 38.72 1wa6 n TYR 285 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1wa6 n LYS 287 N 0.18 0.00 -0.12 2.98 5.02 -0.57 -2.26 118.16 123.39 1wa6 n LYS 287 Ca 0.06 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.37 1wa6 n LYS 287 Cb 0.53 0.00 0.33 0.00 -0.02 0.00 0.00 35.03 35.87 1wa6 n LYS 287 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1wa6 h LEU 288 N 0.00 0.68 0.02 -0.35 5.85 -1.71 -1.17 115.31 118.63 1wa6 h LEU 288 Ca 0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1wa6 h LEU 288 Cb 0.00 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1wa6 h LEU 288 CO 0.00 0.49 -0.01 0.22 -0.34 0.00 0.00 178.44 178.81 1wa6 h TYR 289 N 0.80 -0.02 0.00 1.25 5.03 -1.73 -3.09 116.97 119.21 1wa6 h TYR 289 Ca 0.22 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.53 1wa6 h TYR 289 Cb -0.09 0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.20 1wa6 h TYR 289 CO 0.00 0.74 0.00 0.00 -1.32 0.00 0.00 178.16 177.58 1wa6 n ALA 290 N -2.57 2.06 -3.49 1.82 0.00 -1.20 -4.86 120.51 112.28 1wa6 n ALA 290 Ca -0.09 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 1wa6 n ALA 290 Cb 0.38 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.73 1wa6 n ALA 290 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wa6 n GLY 291 N 0.00 -0.40 1.20 0.00 0.00 -1.14 -4.98 105.19 99.88 1wa6 n GLY 291 Ca 0.08 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 1wa6 n GLY 291 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wa6 n LEU 292 N -4.55 4.25 -0.08 0.99 4.77 -0.45 -4.64 117.00 117.27 1wa6 n LEU 292 Ca -0.00 -3.72 0.01 0.00 -0.03 0.00 0.00 56.01 52.27 1wa6 n LEU 292 Cb 0.56 -0.64 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1wa6 n LEU 292 CO 0.59 1.21 0.52 0.29 -1.33 0.00 0.00 177.39 178.67 1wa6 n LYS 293 N -1.08 2.85 -0.83 3.23 4.76 -1.24 -4.68 118.16 121.16 1wa6 n LYS 293 Ca 0.34 -1.66 -0.00 0.00 -2.87 0.00 0.00 58.31 54.11 1wa6 n LYS 293 Cb 1.06 -1.08 -0.01 0.00 -1.84 0.00 0.00 35.03 33.16 1wa6 n LYS 293 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1wa6 n PHE 294 N -0.47 0.00 1.42 2.13 3.01 -1.26 -4.81 117.46 117.48 1wa6 n PHE 294 Ca 0.03 -0.21 0.14 0.00 1.01 0.00 0.00 57.45 58.42 1wa6 n PHE 294 Cb 0.31 0.09 0.47 0.00 -0.01 0.00 0.00 39.48 40.34 1wa6 n PHE 294 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wa6 n GLN 295 N 0.12 1.49 -4.19 -1.08 10.64 -1.26 -4.75 117.38 118.35 1wa6 n GLN 295 Ca -0.03 -0.88 -0.25 0.00 -1.83 0.00 0.00 57.00 54.00 1wa6 n GLN 295 Cb 0.76 -1.48 -0.07 0.00 -0.86 0.00 0.00 30.24 28.60 1wa6 n GLN 295 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1wa6 s ALA 296 N -2.12 3.32 0.16 2.61 0.00 -1.26 -5.08 121.76 119.39 1wa6 s ALA 296 Ca 0.34 -1.40 -0.08 0.00 0.00 0.00 0.00 51.96 50.82 1wa6 s ALA 296 Cb 0.21 -1.07 0.03 0.00 0.00 0.00 0.00 23.12 22.28 1wa6 s ALA 296 CO 0.38 0.41 1.50 -0.22 0.00 0.00 0.00 175.76 177.82 1wa6 h LYS 297 N 2.31 0.81 -0.06 0.00 3.64 -1.99 -3.12 116.57 118.16 1wa6 h LYS 297 Ca -0.47 -0.44 -0.07 0.00 -1.27 0.00 0.00 60.65 58.40 1wa6 h LYS 297 Cb 1.22 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1wa6 h LYS 297 CO 0.60 1.08 -0.22 0.93 -2.27 0.00 0.00 179.45 179.56 1wa6 h GLU 298 N 0.65 0.26 -0.71 1.90 4.39 -1.98 -2.34 114.58 116.75 1wa6 h GLU 298 Ca 0.04 -0.20 0.10 0.00 0.34 0.00 0.00 59.36 59.65 1wa6 h GLU 298 Cb 1.00 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.57 1wa6 h GLU 298 CO 0.10 0.83 -0.44 -1.35 -1.16 0.00 0.00 179.01 176.98 1wa6 h PRO 299 N -0.26 -0.15 -0.74 2.33 0.11 -1.90 -2.11 132.00 129.29 1wa6 h PRO 299 Ca -0.01 0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.19 1wa6 h PRO 299 Cb 0.86 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.95 1wa6 h PRO 299 CO 0.05 -0.10 0.48 0.00 -0.21 0.00 0.00 178.00 178.22 1wa6 h ARG 300 N -0.15 0.67 0.05 1.05 3.08 -1.46 -1.29 114.38 116.33 1wa6 h ARG 300 Ca 0.21 -0.04 -0.26 0.00 0.07 0.00 0.00 59.98 59.96 1wa6 h ARG 300 Cb 0.55 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.46 1wa6 h ARG 300 CO -0.78 0.45 -1.08 0.74 -1.07 0.00 0.00 179.97 178.23 1wa6 h PHE 301 N 0.70 0.75 -0.77 3.04 0.05 -1.10 -3.06 116.94 116.54 1wa6 h PHE 301 Ca 0.33 -0.44 -0.00 0.00 3.82 0.00 0.00 57.97 61.67 1wa6 h PHE 301 Cb 0.38 -0.07 -0.04 0.00 2.00 0.00 0.00 35.95 38.22 1wa6 h PHE 301 CO -0.00 1.28 0.47 0.93 -0.18 0.00 0.00 178.31 180.81 1wa6 h GLU 302 N 0.24 1.05 -1.70 1.51 4.39 -0.60 -2.46 114.58 117.01 1wa6 h GLU 302 Ca -0.12 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.48 1wa6 h GLU 302 Cb 1.74 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 1wa6 h GLU 302 CO 0.19 0.74 0.00 0.00 -1.16 0.00 0.00 179.01 178.79 1wa6 n ALA 303 N -2.34 1.84 0.00 3.43 0.00 -0.62 -1.59 120.51 121.23 1wa6 n ALA 303 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1wa6 n ALA 303 Cb 0.06 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1wa6 n ALA 303 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1wa6 n LYS 305 N 0.90 0.00 0.00 0.00 4.81 -0.93 -5.11 118.16 117.83 1wa6 n LYS 305 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1wa6 n LYS 305 Cb 0.16 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.21 1wa6 n LYS 305 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57