#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh8 n HIS 7 N 0.00 0.00 -2.27 7.33 -0.00 -1.26 -4.51 115.22 114.51 2wh8 n HIS 7 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 2wh8 n HIS 7 Cb 0.00 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.99 29.89 2wh8 n HIS 7 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 2wh8 s GLU 8 N -2.66 4.45 0.32 -0.41 2.56 -1.26 -4.68 118.70 117.02 2wh8 s GLU 8 Ca 0.17 2.01 -0.29 0.00 0.00 0.00 0.00 54.97 56.87 2wh8 s GLU 8 Cb 0.18 -3.17 -0.10 0.00 2.00 0.00 0.00 34.13 33.04 2wh8 s GLU 8 CO 0.63 -0.12 1.36 0.12 -0.56 0.00 0.00 175.26 176.69 2wh8 s PHE 9 N -0.47 2.98 -0.00 5.30 5.36 -1.26 -4.99 117.98 124.90 2wh8 s PHE 9 Ca 0.52 1.31 -0.28 0.00 -0.96 0.00 0.00 56.93 57.51 2wh8 s PHE 9 Cb -0.36 -3.76 0.09 0.00 -0.34 0.00 0.00 43.02 38.65 2wh8 s PHE 9 CO 0.42 -2.17 0.75 1.14 -1.46 0.00 0.00 175.22 173.90 2wh8 s GLN 10 N -1.58 1.00 0.14 10.12 -2.07 -1.26 -5.03 119.66 120.99 2wh8 s GLN 10 Ca 0.51 -0.07 -0.30 0.00 -1.82 0.00 0.00 55.36 53.68 2wh8 s GLN 10 Cb -0.41 0.47 -0.07 0.00 -1.09 0.00 0.00 33.01 31.91 2wh8 s GLN 10 CO 0.53 -0.38 1.04 -0.51 -1.32 0.00 0.00 175.29 174.65 2wh8 s LEU 11 N -1.85 4.49 0.67 2.60 1.43 -1.26 -4.97 118.68 119.78 2wh8 s LEU 11 Ca -0.03 1.96 -0.17 0.00 -1.03 0.00 0.00 54.13 54.85 2wh8 s LEU 11 Cb -0.01 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 2wh8 s LEU 11 CO -0.01 -0.17 1.27 0.00 0.23 0.00 0.00 176.35 177.67 2wh8 s ALA 12 N -0.07 2.31 0.37 4.21 0.00 -1.26 -4.99 121.76 122.33 2wh8 s ALA 12 Ca 0.49 1.13 0.04 0.00 0.00 0.00 0.00 51.96 53.61 2wh8 s ALA 12 Cb -0.27 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 2wh8 s ALA 12 CO 0.32 -1.67 0.12 0.95 0.00 0.00 0.00 175.76 175.48 2wh8 s THR 13 N -1.54 0.69 0.55 0.00 -4.23 -1.26 -3.98 115.64 105.87 2wh8 s THR 13 Ca 0.80 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.58 2wh8 s THR 13 Cb -0.35 -2.47 0.38 0.00 1.34 0.00 0.00 72.50 71.39 2wh8 s THR 13 CO 0.41 0.00 2.02 0.00 -0.54 0.00 0.00 174.62 176.51 2wh8 h ALA 14 N 1.93 2.23 0.00 3.99 0.00 -1.84 -0.86 119.26 124.71 2wh8 h ALA 14 Ca -0.36 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 2wh8 h ALA 14 Cb 1.26 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2wh8 h ALA 14 CO 0.59 -0.52 -0.58 0.93 0.00 0.00 0.00 179.25 179.67 2wh8 h GLU 15 N 0.00 0.00 -0.00 0.00 3.07 -1.91 -3.31 114.58 112.43 2wh8 h GLU 15 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2wh8 h GLU 15 Cb 0.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 2wh8 h GLU 15 CO -0.00 0.58 -0.70 0.25 -1.40 0.00 0.00 179.01 177.74 2wh8 n THR 16 N -3.27 0.00 0.26 1.13 -2.24 -0.56 -4.44 114.28 105.16 2wh8 n THR 16 Ca 0.01 -0.15 0.09 0.00 -2.27 0.00 0.00 64.05 61.74 2wh8 n THR 16 Cb 0.75 1.05 0.68 0.00 -2.10 0.00 0.00 70.33 70.71 2wh8 n THR 16 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 2wh8 h TRP 17 N 0.49 0.00 -0.72 4.78 -0.00 -1.29 -2.90 115.95 116.31 2wh8 h TRP 17 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 58.89 58.99 2wh8 h TRP 17 Cb 0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 29.56 2wh8 h TRP 17 CO 0.00 0.04 0.48 -1.35 -0.00 0.00 0.00 178.44 177.60 2wh8 h PRO 18 N 0.00 0.59 -1.01 0.49 0.11 -1.78 -3.35 132.00 127.05 2wh8 h PRO 18 Ca -0.00 -0.04 -0.37 0.00 0.11 0.00 0.00 66.00 65.71 2wh8 h PRO 18 Cb 0.07 -0.13 -0.27 0.00 0.11 0.00 0.00 31.00 30.78 2wh8 h PRO 18 CO 0.00 0.39 -0.82 -1.71 -0.21 0.00 0.00 178.00 175.66 2wh8 n ASN 19 N -4.49 -0.86 0.01 -2.05 5.15 -1.10 -4.94 115.26 106.98 2wh8 n ASN 19 Ca 0.12 -3.29 0.11 0.00 -0.60 0.00 0.00 54.58 50.92 2wh8 n ASN 19 Cb 0.34 0.64 0.47 0.00 -0.53 0.00 0.00 39.78 40.70 2wh8 n ASN 19 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2wh8 n PRO 20 N 0.56 0.02 0.06 1.20 -0.04 -1.19 -4.13 135.00 131.47 2wh8 n PRO 20 Ca 0.15 0.13 0.02 0.00 -0.04 0.00 0.00 63.50 63.77 2wh8 n PRO 20 Cb 0.66 -1.52 0.39 0.00 -0.04 0.00 0.00 33.50 32.98 2wh8 n PRO 20 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2wh8 h TRP 21 N 0.00 0.40 -0.35 0.54 -0.00 -1.92 -1.86 115.95 112.77 2wh8 h TRP 21 Ca 0.00 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.89 58.73 2wh8 h TRP 21 Cb 0.39 -0.12 -0.01 0.00 -0.00 0.00 0.00 29.16 29.42 2wh8 h TRP 21 CO 0.00 0.39 -0.34 -1.35 -0.00 0.00 0.00 178.44 177.13 2wh8 h PRO 22 N 0.39 0.79 -0.76 0.49 0.11 -1.93 -2.04 132.00 129.05 2wh8 h PRO 22 Ca 0.09 -0.38 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 2wh8 h PRO 22 Cb 0.21 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 2wh8 h PRO 22 CO 0.00 1.01 0.31 1.98 -0.21 0.00 0.00 178.00 181.09 2wh8 h MET 23 N 0.66 1.13 -0.81 1.05 -1.53 -1.59 0.40 114.93 114.25 2wh8 h MET 23 Ca 0.07 -0.20 0.09 0.00 -3.44 0.00 0.00 59.70 56.22 2wh8 h MET 23 Cb 0.89 -0.19 -0.07 0.00 -0.55 0.00 0.00 31.60 31.68 2wh8 h MET 23 CO 0.08 0.92 0.45 1.88 0.14 0.00 0.00 176.91 180.38 2wh8 h TYR 24 N 1.10 0.82 0.01 1.39 0.05 -1.23 -2.14 116.97 116.97 2wh8 h TYR 24 Ca 0.25 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.06 2wh8 h TYR 24 Cb 0.21 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.70 2wh8 h TYR 24 CO 0.02 0.33 -0.01 0.00 -1.05 0.00 0.00 178.16 177.45 2wh8 h ARG 25 N 0.76 -0.02 -0.83 4.88 -0.00 -0.54 0.09 114.38 118.73 2wh8 h ARG 25 Ca 0.39 0.00 0.14 0.00 -0.50 0.00 0.00 59.98 60.01 2wh8 h ARG 25 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 29.97 30.25 2wh8 h ARG 25 CO -0.25 0.12 0.42 0.00 0.00 0.00 0.00 179.97 180.26 2wh8 h ALA 26 N 0.84 1.23 0.57 0.04 0.00 -0.78 -1.24 119.26 119.91 2wh8 h ALA 26 Ca -0.00 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2wh8 h ALA 26 Cb 0.14 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2wh8 h ALA 26 CO 0.00 -0.08 -0.28 -0.07 0.00 0.00 0.00 179.25 178.83 2wh8 h LEU 27 N 0.62 -0.65 -1.20 0.00 3.38 -1.06 -2.05 115.31 114.35 2wh8 h LEU 27 Ca 0.44 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.49 2wh8 h LEU 27 Cb 0.60 0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 2wh8 h LEU 27 CO -0.35 -0.42 0.57 0.03 0.09 0.00 0.00 178.44 178.36 2wh8 h ARG 28 N -0.84 0.91 0.12 1.13 3.08 -0.50 0.53 114.38 118.81 2wh8 h ARG 28 Ca -0.08 -0.05 -0.25 0.00 0.07 0.00 0.00 59.98 59.67 2wh8 h ARG 28 Cb 0.62 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2wh8 h ARG 28 CO 0.13 0.60 -1.23 -0.44 -1.07 0.00 0.00 179.97 177.96 2wh8 h ASP 29 N 0.93 0.39 -0.01 7.04 3.32 -1.28 -3.37 116.42 123.45 2wh8 h ASP 29 Ca 0.39 -0.87 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2wh8 h ASP 29 Cb 0.29 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2wh8 h ASP 29 CO -0.15 1.55 -0.09 1.41 -1.72 0.00 0.00 179.24 180.24 2wh8 n HIS 30 N -4.00 0.00 -2.72 4.55 8.25 -0.77 -4.82 115.22 115.71 2wh8 n HIS 30 Ca -0.22 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.17 2wh8 n HIS 30 Cb 0.87 0.00 0.09 0.00 1.12 0.00 0.00 29.99 32.06 2wh8 n HIS 30 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wh8 n ASP 31 N -0.08 -2.17 0.24 0.41 2.03 0.07 -5.02 116.55 112.03 2wh8 n ASP 31 Ca 0.03 -3.13 0.16 0.00 0.52 0.00 0.00 54.79 52.37 2wh8 n ASP 31 Cb 0.15 1.68 0.69 0.00 -0.72 0.00 0.00 41.12 42.91 2wh8 n ASP 31 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2wh8 h PRO 32 N 3.06 0.00 -3.20 -0.67 0.13 -1.42 -3.07 132.00 126.82 2wh8 h PRO 32 Ca -0.16 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.34 2wh8 h PRO 32 Cb 1.12 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.83 2wh8 h PRO 32 CO 0.12 0.00 -0.61 0.08 -0.23 0.00 0.00 178.00 177.36 2wh8 s VAL 33 N -3.62 2.66 -0.17 1.56 1.01 -1.26 -3.20 120.40 117.38 2wh8 s VAL 33 Ca 0.01 -3.76 -0.17 0.00 0.00 0.00 0.00 61.98 58.06 2wh8 s VAL 33 Cb 0.09 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2wh8 s VAL 33 CO 0.48 -0.91 0.45 -2.28 0.00 0.00 0.00 175.10 172.84 2wh8 s HIS 34 N -0.84 3.42 -0.25 5.22 2.46 -0.48 -4.88 115.29 119.94 2wh8 s HIS 34 Ca 0.21 0.75 -0.21 0.00 0.47 0.00 0.00 55.06 56.28 2wh8 s HIS 34 Cb -0.15 -2.57 -0.02 0.00 -0.13 0.00 0.00 32.58 29.72 2wh8 s HIS 34 CO -0.09 0.03 0.65 -1.58 -2.47 0.00 0.00 174.74 171.29 2wh8 s HIS 35 N 1.14 3.30 -0.29 3.88 2.46 -1.26 -0.71 115.29 123.81 2wh8 s HIS 35 Ca 0.23 0.87 -0.11 0.00 0.47 0.00 0.00 55.06 56.51 2wh8 s HIS 35 Cb -0.15 -2.86 -0.04 0.00 -0.13 0.00 0.00 32.58 29.39 2wh8 s HIS 35 CO 0.09 -0.32 0.20 0.08 -2.47 0.00 0.00 174.74 172.33 2wh8 s VAL 36 N 2.48 5.30 -0.35 0.89 1.01 0.10 -5.00 120.40 124.83 2wh8 s VAL 36 Ca 0.28 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2wh8 s VAL 36 Cb -0.15 -3.56 0.09 0.00 0.00 0.00 0.00 36.38 32.75 2wh8 s VAL 36 CO 0.09 0.21 0.08 -0.69 0.00 0.00 0.00 175.10 174.79 2wh8 s VAL 37 N 1.77 2.81 -0.08 2.92 1.01 -1.26 -0.96 120.40 126.60 2wh8 s VAL 37 Ca 0.07 -1.97 -0.29 0.00 0.00 0.00 0.00 61.98 59.79 2wh8 s VAL 37 Cb -0.16 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.28 2wh8 s VAL 37 CO 0.11 -0.48 1.85 -2.84 0.00 0.00 0.00 175.10 173.74 2wh8 s PRO 38 N 1.09 3.91 0.20 2.72 0.02 -1.26 -4.89 135.00 136.78 2wh8 s PRO 38 Ca 0.05 2.20 -0.16 0.00 0.02 0.00 0.00 61.00 63.11 2wh8 s PRO 38 Cb -0.21 -4.12 0.18 0.00 0.02 0.00 0.00 34.50 30.37 2wh8 s PRO 38 CO -0.05 -1.19 1.63 -1.35 -0.33 0.00 0.00 177.00 175.71 2wh8 h PRO 39 N 11.09 -0.04 -0.00 5.54 0.11 -1.98 0.21 132.00 146.93 2wh8 h PRO 39 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2wh8 h PRO 39 Cb 1.20 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wh8 h PRO 39 CO 0.96 -0.03 -0.03 1.04 -0.21 0.00 0.00 178.00 179.73 2wh8 n GLN 40 N -5.41 0.83 -3.05 1.05 3.00 -1.26 -4.08 117.38 108.46 2wh8 n GLN 40 Ca 0.06 -0.17 -0.18 0.00 -0.01 0.00 0.00 57.00 56.70 2wh8 n GLN 40 Cb 0.31 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.02 2wh8 n GLN 40 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2wh8 n ARG 41 N -0.94 0.65 0.26 -1.09 1.85 0.63 -5.00 116.66 113.03 2wh8 n ARG 41 Ca 0.18 -2.67 0.12 0.00 -1.00 0.00 0.00 57.85 54.47 2wh8 n ARG 41 Cb 0.22 -1.37 0.73 0.00 -1.05 0.00 0.00 32.46 30.99 2wh8 n ARG 41 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 2wh8 h PRO 42 N 4.30 0.00 -0.14 2.89 0.13 -1.40 -1.39 132.00 136.39 2wh8 h PRO 42 Ca 0.03 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.20 2wh8 h PRO 42 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 2wh8 h PRO 42 CO 0.37 0.10 0.23 0.93 -0.23 0.00 0.00 178.00 179.40 2wh8 h GLU 43 N 0.00 0.00 -0.92 0.86 3.07 -1.94 -2.87 114.58 112.78 2wh8 h GLU 43 Ca -0.00 0.00 -0.39 0.00 -0.50 0.00 0.00 59.36 58.47 2wh8 h GLU 43 Cb 0.23 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 27.91 2wh8 h GLU 43 CO 0.01 0.00 0.49 0.66 -1.40 0.00 0.00 179.01 178.77 2wh8 n TYR 44 N -3.47 2.69 -1.42 4.33 4.02 -0.52 -4.98 117.16 117.81 2wh8 n TYR 44 Ca 0.01 -1.54 -0.35 0.00 -0.01 0.00 0.00 57.90 56.01 2wh8 n TYR 44 Cb 0.33 -0.82 0.10 0.00 -0.02 0.00 0.00 39.34 38.93 2wh8 n TYR 44 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2wh8 n ASP 45 N -0.70 1.57 -2.98 7.72 5.75 -1.08 -4.73 116.55 122.10 2wh8 n ASP 45 Ca 0.50 0.71 -0.13 0.00 -0.01 0.00 0.00 54.79 55.86 2wh8 n ASP 45 Cb 1.51 -1.54 -0.01 0.00 -1.03 0.00 0.00 41.12 40.05 2wh8 n ASP 45 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wh8 n TYR 46 N -2.61 -1.79 -4.45 2.11 0.18 -0.14 -4.59 117.16 105.88 2wh8 n TYR 46 Ca 0.15 -2.25 -0.23 0.00 1.88 0.00 0.00 57.90 57.45 2wh8 n TYR 46 Cb 0.49 0.70 -0.10 0.00 -0.38 0.00 0.00 39.34 40.05 2wh8 n TYR 46 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 2wh8 s TYR 47 N -2.60 2.11 -0.06 -3.48 2.02 -0.56 0.00 117.35 114.79 2wh8 s TYR 47 Ca 0.25 -0.48 -0.01 0.00 -0.37 0.00 0.00 57.07 56.47 2wh8 s TYR 47 Cb -0.02 -1.03 0.03 0.00 -0.40 0.00 0.00 41.96 40.53 2wh8 s TYR 47 CO 0.18 0.54 -0.01 0.08 -1.57 0.00 0.00 175.55 174.78 2wh8 s VAL 48 N -2.72 0.37 -0.27 0.71 1.01 0.11 -0.49 120.40 119.12 2wh8 s VAL 48 Ca 0.28 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.26 2wh8 s VAL 48 Cb -0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 2wh8 s VAL 48 CO 0.13 0.24 0.11 -0.76 0.00 0.00 0.00 175.10 174.82 2wh8 s LEU 49 N 1.66 3.69 -0.05 3.92 1.43 -0.15 -1.38 118.68 127.81 2wh8 s LEU 49 Ca 0.00 -0.21 0.12 0.00 -1.03 0.00 0.00 54.13 53.01 2wh8 s LEU 49 Cb -0.13 -1.99 -0.18 0.00 0.03 0.00 0.00 46.19 43.92 2wh8 s LEU 49 CO -0.04 -0.06 0.21 -1.54 0.23 0.00 0.00 176.35 175.15 2wh8 n SER 50 N 4.97 2.06 -4.80 2.29 3.41 -1.19 -1.58 113.62 118.77 2wh8 n SER 50 Ca -0.15 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.10 2wh8 n SER 50 Cb 0.51 1.35 -0.06 0.00 -0.26 0.00 0.00 64.21 65.74 2wh8 n SER 50 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2wh8 s ARG 51 N -2.71 4.37 0.24 4.33 0.52 -1.26 -3.08 118.95 121.36 2wh8 s ARG 51 Ca -0.05 1.06 -0.06 0.00 -0.52 0.00 0.00 55.73 56.16 2wh8 s ARG 51 Cb 0.07 -2.76 0.43 0.00 0.52 0.00 0.00 34.95 33.21 2wh8 s ARG 51 CO 0.52 0.30 1.70 1.25 0.02 0.00 0.00 175.30 179.09 2wh8 h HIS 52 N 3.12 0.32 -0.34 -0.53 -0.00 -1.85 -0.31 115.15 115.55 2wh8 h HIS 52 Ca -0.47 0.04 -0.13 0.00 -0.00 0.00 0.00 60.37 59.81 2wh8 h HIS 52 Cb 1.19 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.56 2wh8 h HIS 52 CO 0.62 -0.04 -0.29 0.00 -0.00 0.00 0.00 177.93 178.23 2wh8 h ALA 53 N 1.57 0.49 -0.38 5.26 0.00 -1.93 0.09 119.26 124.37 2wh8 h ALA 53 Ca 0.40 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2wh8 h ALA 53 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2wh8 h ALA 53 CO -0.46 0.52 -0.34 -0.44 0.00 0.00 0.00 179.25 178.53 2wh8 h ASP 54 N 0.58 0.96 -0.32 0.00 3.32 -1.86 -1.84 116.42 117.26 2wh8 h ASP 54 Ca 0.06 -0.45 -0.12 0.00 0.02 0.00 0.00 57.03 56.54 2wh8 h ASP 54 Cb 0.86 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2wh8 h ASP 54 CO 0.07 1.21 -0.27 0.58 -1.72 0.00 0.00 179.24 179.12 2wh8 h VAL 55 N 0.72 1.29 0.09 -1.35 2.07 -0.95 -0.69 116.25 117.43 2wh8 h VAL 55 Ca 0.07 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.18 2wh8 h VAL 55 Cb 0.93 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 2wh8 h VAL 55 CO 0.09 0.46 -0.21 -0.25 0.02 0.00 0.00 177.57 177.68 2wh8 h TRP 56 N 0.51 -0.55 -0.53 1.57 2.91 -0.97 -0.84 115.95 118.05 2wh8 h TRP 56 Ca 0.06 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.12 2wh8 h TRP 56 Cb 0.84 0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 29.68 2wh8 h TRP 56 CO 0.07 -0.30 0.31 1.03 -1.03 0.00 0.00 178.44 178.51 2wh8 h SER 57 N -0.38 0.48 -0.31 2.65 0.87 -1.22 -2.49 113.55 113.15 2wh8 h SER 57 Ca 0.03 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2wh8 h SER 57 Cb 0.42 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2wh8 h SER 57 CO -0.13 0.34 0.07 0.00 -0.53 0.00 0.00 176.83 176.57 2wh8 h ALA 58 N 1.25 0.41 -0.90 6.23 0.00 -0.98 -1.33 119.26 123.92 2wh8 h ALA 58 Ca 0.22 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2wh8 h ALA 58 Cb 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2wh8 h ALA 58 CO -0.11 0.08 0.51 0.00 0.00 0.00 0.00 179.25 179.73 2wh8 h ALA 59 N 0.90 1.20 -0.29 0.00 0.00 -1.08 -2.69 119.26 117.30 2wh8 h ALA 59 Ca 0.10 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2wh8 h ALA 59 Cb 0.31 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2wh8 h ALA 59 CO 0.00 0.66 -0.35 -0.09 0.00 0.00 0.00 179.25 179.47 2wh8 h ARG 60 N 1.26 0.64 -4.35 0.00 9.65 -1.23 -3.38 114.38 116.97 2wh8 h ARG 60 Ca 0.32 -0.30 -0.73 0.00 -1.10 0.00 0.00 59.98 58.16 2wh8 h ARG 60 Cb 0.00 -0.01 -0.14 0.00 -1.39 0.00 0.00 29.97 28.44 2wh8 h ARG 60 CO -0.05 0.90 1.97 -3.47 2.80 0.00 0.00 179.97 182.11 2wh8 n ASP 61 N -4.06 4.95 0.27 -3.80 2.03 -0.52 -4.72 116.55 110.70 2wh8 n ASP 61 Ca -0.01 -3.00 0.11 0.00 0.52 0.00 0.00 54.79 52.41 2wh8 n ASP 61 Cb 0.49 -1.57 0.73 0.00 -0.72 0.00 0.00 41.12 40.05 2wh8 n ASP 61 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 2wh8 h HIS 62 N 6.53 0.00 -0.74 -0.67 2.07 -1.75 0.10 115.15 120.69 2wh8 h HIS 62 Ca 0.40 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.87 2wh8 h HIS 62 Cb 0.75 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.70 2wh8 h HIS 62 CO 1.25 0.08 0.26 1.96 -3.07 0.00 0.00 177.93 178.42 2wh8 h GLN 63 N 0.00 1.12 0.07 5.12 7.50 -1.94 -3.21 115.11 123.77 2wh8 h GLN 63 Ca -0.00 -0.22 -0.35 0.00 0.50 0.00 0.00 58.65 58.58 2wh8 h GLN 63 Cb 0.19 -0.17 -0.04 0.00 0.05 0.00 0.00 27.48 27.51 2wh8 h GLN 63 CO 0.01 0.93 -2.00 2.41 -1.50 0.00 0.00 178.83 178.68 2wh8 n THR 64 N -4.27 1.67 -3.76 -0.54 -1.04 -1.04 -4.61 114.28 100.70 2wh8 n THR 64 Ca 0.06 -0.70 -0.36 0.00 -2.04 0.00 0.00 64.05 61.02 2wh8 n THR 64 Cb 0.21 -1.42 -0.10 0.00 -1.82 0.00 0.00 70.33 67.19 2wh8 n THR 64 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2wh8 s PHE 65 N -2.56 3.41 0.30 -1.42 0.08 0.32 -1.23 117.98 116.88 2wh8 s PHE 65 Ca -0.18 -2.74 -0.23 0.00 0.12 0.00 0.00 56.93 53.90 2wh8 s PHE 65 Cb 0.07 -3.15 -0.09 0.00 -0.57 0.00 0.00 43.02 39.28 2wh8 s PHE 65 CO 0.77 -0.85 0.86 0.45 -0.10 0.00 0.00 175.22 176.35 2wh8 s SER 66 N 0.71 7.18 0.00 1.36 0.15 -0.49 -4.29 113.70 118.32 2wh8 s SER 66 Ca 0.16 1.66 0.25 0.00 0.70 0.00 0.00 55.95 58.71 2wh8 s SER 66 Cb -0.21 -2.51 0.35 0.00 -1.71 0.00 0.00 66.02 61.94 2wh8 s SER 66 CO -0.03 -0.06 1.34 -1.20 1.20 0.00 0.00 173.24 174.48 2wh8 n SER 67 N 0.47 2.38 0.07 5.45 7.64 -1.26 -0.69 113.62 127.68 2wh8 n SER 67 Ca 0.01 -1.73 0.11 0.00 1.01 0.00 0.00 58.87 58.28 2wh8 n SER 67 Cb 0.51 0.11 0.45 0.00 -1.01 0.00 0.00 64.21 64.27 2wh8 n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wh8 n ALA 68 N 0.70 1.93 0.68 -0.43 0.00 -1.26 -2.67 120.51 119.47 2wh8 n ALA 68 Ca 0.14 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.68 2wh8 n ALA 68 Cb 0.51 -1.38 0.14 0.00 0.00 0.00 0.00 19.45 18.71 2wh8 n ALA 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wh8 n GLN 69 N -1.93 2.29 0.00 0.00 1.13 -1.26 -4.92 117.38 112.69 2wh8 n GLN 69 Ca 0.04 -2.02 0.00 0.00 -1.94 0.00 0.00 57.00 53.08 2wh8 n GLN 69 Cb 0.28 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.17 2wh8 n GLN 69 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wh8 n GLY 70 N 1.35 1.83 0.01 1.08 0.00 -1.09 -4.03 105.19 104.34 2wh8 n GLY 70 Ca 0.15 -2.14 0.01 0.00 0.00 0.00 0.00 46.02 44.04 2wh8 n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wh8 n LEU 71 N 0.00 1.88 -4.87 0.99 4.77 -1.26 -4.56 117.00 113.95 2wh8 n LEU 71 Ca 0.00 -1.95 -0.27 0.00 -0.03 0.00 0.00 56.01 53.76 2wh8 n LEU 71 Cb 0.00 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 2wh8 n LEU 71 CO 0.00 0.48 -0.00 0.42 -1.33 0.00 0.00 177.39 176.96 2wh8 s THR 72 N -1.09 1.64 -2.19 -5.08 -4.23 -1.26 -0.02 115.64 103.41 2wh8 s THR 72 Ca 0.03 -1.57 0.26 0.00 -1.18 0.00 0.00 61.69 59.23 2wh8 s THR 72 Cb 0.02 -2.21 0.64 0.00 1.34 0.00 0.00 72.50 72.30 2wh8 s THR 72 CO 0.00 0.00 1.85 1.33 -0.54 0.00 0.00 174.62 177.27 2wh8 n VAL 73 N -1.66 0.04 -2.75 2.29 0.24 -1.26 -4.67 118.33 110.56 2wh8 n VAL 73 Ca -0.04 -0.14 -0.42 0.00 -2.04 0.00 0.00 64.34 61.70 2wh8 n VAL 73 Cb 0.65 -0.01 -0.04 0.00 -1.47 0.00 0.00 33.84 32.97 2wh8 n VAL 73 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2wh8 s ASN 74 N -1.83 6.19 0.47 -1.34 0.01 -1.26 -4.96 114.94 112.22 2wh8 s ASN 74 Ca 0.38 -0.75 -0.23 0.00 -0.71 0.00 0.00 52.86 51.55 2wh8 s ASN 74 Cb 0.19 -2.47 -0.09 0.00 0.41 0.00 0.00 41.25 39.29 2wh8 s ASN 74 CO 0.31 -1.55 1.05 -1.22 -1.51 0.00 0.00 177.10 174.17 2wh8 n TYR 75 N 8.22 1.26 -0.12 2.20 4.01 -1.26 -2.32 117.16 129.14 2wh8 n TYR 75 Ca -0.01 0.51 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 2wh8 n TYR 75 Cb 0.47 -2.23 0.00 0.00 -0.31 0.00 0.00 39.34 37.27 2wh8 n TYR 75 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wh8 n GLY 76 N 1.14 0.99 0.41 2.72 0.00 -1.26 -4.96 105.19 104.23 2wh8 n GLY 76 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 2wh8 n GLY 76 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wh8 h GLU 77 N 3.56 -0.17 -0.02 1.61 4.81 -1.70 0.29 114.58 122.97 2wh8 h GLU 77 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2wh8 h GLU 77 Cb 0.00 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 2wh8 h GLU 77 CO 0.00 -0.11 0.01 1.25 -0.73 0.00 0.00 179.01 179.43 2wh8 h LEU 78 N -0.18 0.02 -0.25 1.64 7.12 -1.88 -1.81 115.31 119.97 2wh8 h LEU 78 Ca 0.18 -0.06 -0.07 0.00 0.13 0.00 0.00 57.88 58.05 2wh8 h LEU 78 Cb 0.54 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.66 2wh8 h LEU 78 CO -0.77 0.08 -0.12 -0.08 -0.13 0.00 0.00 178.44 177.42 2wh8 h GLU 79 N -0.04 0.52 -0.85 1.25 4.57 -1.83 0.03 114.58 118.23 2wh8 h GLU 79 Ca 0.01 -0.23 0.10 0.00 -1.18 0.00 0.00 59.36 58.06 2wh8 h GLU 79 Cb 0.06 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.56 2wh8 h GLU 79 CO -0.00 0.78 0.50 0.52 -1.18 0.00 0.00 179.01 179.62 2wh8 h MET 80 N 0.24 0.81 -0.01 1.92 2.86 -0.12 -2.25 114.93 118.37 2wh8 h MET 80 Ca 0.05 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2wh8 h MET 80 Cb 0.62 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2wh8 h MET 80 CO 0.04 0.53 -0.56 0.44 1.06 0.00 0.00 176.91 178.42 2wh8 n ILE 81 N -4.72 0.00 -1.45 -1.22 -5.35 -0.71 -5.00 119.36 100.92 2wh8 n ILE 81 Ca 0.14 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2wh8 n ILE 81 Cb 0.28 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 2wh8 n ILE 81 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wh8 n GLY 82 N 1.43 0.98 0.58 3.28 0.00 -0.52 -5.02 105.19 105.92 2wh8 n GLY 82 Ca 0.08 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.79 2wh8 n GLY 82 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wh8 n LEU 83 N -0.29 3.26 -0.03 0.99 7.94 -0.12 -4.76 117.00 123.99 2wh8 n LEU 83 Ca 0.00 -2.95 -0.12 0.00 -1.11 0.00 0.00 56.01 51.83 2wh8 n LEU 83 Cb 0.29 -0.47 -0.07 0.00 0.53 0.00 0.00 43.42 43.70 2wh8 n LEU 83 CO 0.00 0.68 0.73 -0.74 -1.11 0.00 0.00 177.39 176.95 2wh8 h HIS 84 N 1.16 0.20 -0.17 1.96 -0.00 -1.92 -3.04 115.15 113.34 2wh8 h HIS 84 Ca 0.00 -0.04 -0.18 0.00 -0.00 0.00 0.00 60.37 60.15 2wh8 h HIS 84 Cb 1.22 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 28.58 2wh8 h HIS 84 CO 0.30 0.45 -0.63 -0.44 -0.00 0.00 0.00 177.93 177.61 2wh8 h ASP 85 N -0.11 0.69 -2.34 3.26 5.19 -1.96 -3.34 116.42 117.82 2wh8 h ASP 85 Ca 0.03 -0.41 -0.59 0.00 -0.62 0.00 0.00 57.03 55.45 2wh8 h ASP 85 Cb 0.37 -0.20 -0.39 0.00 0.18 0.00 0.00 39.33 39.29 2wh8 h ASP 85 CO 0.01 1.15 -0.94 0.41 -3.12 0.00 0.00 179.24 176.75 2wh8 n THR 86 N -3.93 -0.47 -2.22 0.35 -1.04 -1.26 -5.13 114.28 100.58 2wh8 n THR 86 Ca -0.04 -3.89 -0.32 0.00 -2.04 0.00 0.00 64.05 57.75 2wh8 n THR 86 Cb 0.66 -1.84 -0.01 0.00 -1.82 0.00 0.00 70.33 67.32 2wh8 n THR 86 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2wh8 s PRO 87 N -0.66 3.71 0.92 -2.82 0.04 -1.15 -4.94 135.00 130.10 2wh8 s PRO 87 Ca 0.33 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 2wh8 s PRO 87 Cb 0.07 -2.10 0.15 0.00 0.04 0.00 0.00 34.50 32.66 2wh8 s PRO 87 CO -0.16 -0.48 1.09 -1.25 0.04 0.00 0.00 177.00 176.25 2wh8 s PRO 88 N -4.20 1.02 0.45 0.56 0.04 -1.26 -4.89 135.00 126.71 2wh8 s PRO 88 Ca 0.60 1.07 0.23 0.00 0.04 0.00 0.00 61.00 62.93 2wh8 s PRO 88 Cb -0.12 -1.76 1.07 0.00 0.04 0.00 0.00 34.50 33.73 2wh8 s PRO 88 CO 0.36 -2.48 1.92 0.00 0.04 0.00 0.00 177.00 176.83 2wh8 h MET 89 N -1.73 0.00 0.00 4.56 -0.00 -1.95 -0.68 114.93 115.13 2wh8 h MET 89 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.21 2wh8 h MET 89 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.88 2wh8 h MET 89 CO 0.50 0.23 0.00 1.55 -0.00 0.00 0.00 176.91 179.19 2wh8 n VAL 90 N -3.64 0.18 -1.49 -0.10 3.14 -1.26 -2.42 118.33 112.73 2wh8 n VAL 90 Ca -0.01 0.04 0.01 0.00 -2.96 0.00 0.00 64.34 61.42 2wh8 n VAL 90 Cb 0.36 -0.62 0.20 0.00 -1.06 0.00 0.00 33.84 32.72 2wh8 n VAL 90 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 2wh8 n MET 91 N -1.28 1.73 -4.77 1.45 2.00 -0.26 -4.87 117.12 111.12 2wh8 n MET 91 Ca 0.12 -3.21 -0.30 0.00 0.00 0.00 0.00 57.70 54.31 2wh8 n MET 91 Cb 0.20 -1.72 -0.14 0.00 0.00 0.00 0.00 33.22 31.56 2wh8 n MET 91 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2wh8 s GLN 92 N -3.22 1.71 0.22 0.03 -0.21 -1.01 -4.11 119.66 113.07 2wh8 s GLN 92 Ca 0.41 -1.17 0.07 0.00 0.02 0.00 0.00 55.36 54.69 2wh8 s GLN 92 Cb 0.38 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 32.39 2wh8 s GLN 92 CO -0.03 0.50 0.15 -0.51 -2.12 0.00 0.00 175.29 173.28 2wh8 s ASP 93 N -1.46 5.41 0.43 5.90 1.01 -1.26 -4.69 116.67 122.02 2wh8 s ASP 93 Ca 0.12 -0.25 -0.25 0.00 0.71 0.00 0.00 52.55 52.88 2wh8 s ASP 93 Cb -0.10 -1.35 -0.08 0.00 1.01 0.00 0.00 42.92 42.39 2wh8 s ASP 93 CO 0.03 0.01 1.33 -2.84 0.21 0.00 0.00 175.17 173.91 2wh8 s PRO 94 N -3.53 3.82 0.28 8.23 0.02 -1.26 -1.41 135.00 141.14 2wh8 s PRO 94 Ca 0.32 2.21 0.24 0.00 0.02 0.00 0.00 61.00 63.79 2wh8 s PRO 94 Cb -0.09 -2.67 0.33 0.00 0.02 0.00 0.00 34.50 32.09 2wh8 s PRO 94 CO 0.24 -0.64 1.43 -1.00 -0.33 0.00 0.00 177.00 176.70 2wh8 h PRO 95 N 2.45 0.00 -0.40 5.54 0.13 -2.02 -3.45 132.00 134.25 2wh8 h PRO 95 Ca -0.50 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.70 2wh8 h PRO 95 Cb 1.26 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 2wh8 h PRO 95 CO 0.62 0.00 0.03 0.28 -0.23 0.00 0.00 178.00 178.69 2wh8 h VAL 96 N 0.00 0.73 -0.23 1.56 2.07 -1.87 -1.90 116.25 116.60 2wh8 h VAL 96 Ca 0.00 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.52 2wh8 h VAL 96 Cb 0.91 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2wh8 h VAL 96 CO 0.00 0.03 0.16 -0.74 0.02 0.00 0.00 177.57 177.04 2wh8 h HIS 97 N 0.14 0.10 -0.19 1.57 -0.00 -1.51 -3.25 115.15 112.01 2wh8 h HIS 97 Ca 0.19 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.56 2wh8 h HIS 97 Cb 0.26 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 2wh8 h HIS 97 CO -0.24 0.06 0.08 1.15 -0.00 0.00 0.00 177.93 178.98 2wh8 h THR 98 N 0.10 1.15 -0.26 6.26 2.02 -1.61 -1.39 112.91 119.19 2wh8 h THR 98 Ca 0.10 -0.44 -0.13 0.00 0.77 0.00 0.00 66.41 66.72 2wh8 h THR 98 Cb 0.29 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2wh8 h THR 98 CO -0.01 0.14 -0.34 -0.08 0.37 0.00 0.00 175.52 175.60 2wh8 h GLU 99 N 0.17 0.69 -0.31 6.66 4.57 -1.65 -1.16 114.58 123.55 2wh8 h GLU 99 Ca 0.06 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 57.84 2wh8 h GLU 99 Cb 0.15 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 2wh8 h GLU 99 CO -0.01 1.01 0.15 0.35 -1.18 0.00 0.00 179.01 179.33 2wh8 h PHE 100 N 0.41 0.44 -0.88 0.92 3.57 -1.68 -1.52 116.94 118.20 2wh8 h PHE 100 Ca 0.03 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.53 2wh8 h PHE 100 Cb 0.92 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.47 2wh8 h PHE 100 CO 0.08 0.39 0.58 -0.09 -2.23 0.00 0.00 178.31 177.03 2wh8 h ARG 101 N 0.37 1.12 -0.65 1.11 2.43 -1.14 -0.25 114.38 117.37 2wh8 h ARG 101 Ca 0.11 -0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.28 2wh8 h ARG 101 Cb 0.11 -0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 29.34 2wh8 h ARG 101 CO -0.01 0.74 0.33 -0.22 -1.51 0.00 0.00 179.97 179.30 2wh8 h LYS 102 N 1.15 0.58 -0.11 0.20 3.64 -0.43 0.25 116.57 121.85 2wh8 h LYS 102 Ca 0.34 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 2wh8 h LYS 102 Cb -0.07 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2wh8 h LYS 102 CO -0.09 0.39 -0.17 -0.07 -2.27 0.00 0.00 179.45 177.23 2wh8 h LEU 103 N 0.60 0.34 -0.71 5.20 3.38 -0.62 -3.09 115.31 120.41 2wh8 h LEU 103 Ca 0.31 -0.53 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 2wh8 h LEU 103 Cb 0.26 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2wh8 h LEU 103 CO -0.22 0.80 -0.44 1.62 0.09 0.00 0.00 178.44 180.29 2wh8 h VAL 104 N -0.11 0.94 -0.51 1.22 3.04 -0.88 -2.91 116.25 117.05 2wh8 h VAL 104 Ca 0.01 -1.76 0.15 0.00 -1.01 0.00 0.00 66.70 64.09 2wh8 h VAL 104 Cb 0.73 2.07 -0.02 0.00 -2.01 0.00 0.00 31.29 32.06 2wh8 h VAL 104 CO 0.04 0.43 0.44 0.28 -1.01 0.00 0.00 177.57 177.74 2wh8 h SER 105 N 0.00 0.00 0.24 3.17 0.02 -0.86 -0.42 113.55 115.70 2wh8 h SER 105 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2wh8 h SER 105 Cb 1.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 2wh8 h SER 105 CO 0.06 0.00 -0.02 0.03 -1.14 0.00 0.00 176.83 175.76 2wh8 h ARG 106 N 0.00 0.00 -0.06 3.45 3.08 -1.57 -0.67 114.38 118.60 2wh8 h ARG 106 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2wh8 h ARG 106 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 2wh8 h ARG 106 CO -0.00 0.02 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 2wh8 n GLY 107 N -0.85 -0.23 2.57 0.04 0.00 -0.17 -4.50 105.19 102.04 2wh8 n GLY 107 Ca -0.02 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 2wh8 n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wh8 n PHE 108 N -0.13 2.94 -4.50 1.61 3.72 -0.26 -4.50 117.46 116.34 2wh8 n PHE 108 Ca 0.18 -4.12 -0.26 0.00 -0.05 0.00 0.00 57.45 53.20 2wh8 n PHE 108 Cb 0.25 -0.52 -0.10 0.00 -0.94 0.00 0.00 39.48 38.17 2wh8 n PHE 108 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2wh8 s THR 109 N -1.88 2.29 0.30 4.37 -4.23 -1.26 -5.01 115.64 110.22 2wh8 s THR 109 Ca 0.34 -2.13 0.06 0.00 -1.18 0.00 0.00 61.69 58.78 2wh8 s THR 109 Cb 0.08 -2.72 0.30 0.00 1.34 0.00 0.00 72.50 71.49 2wh8 s THR 109 CO -0.09 -0.17 1.71 -0.65 -0.54 0.00 0.00 174.62 174.88 2wh8 h PRO 110 N 1.94 0.45 -0.67 3.99 0.11 -1.98 -0.50 132.00 135.34 2wh8 h PRO 110 Ca -0.42 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wh8 h PRO 110 Cb 1.25 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2wh8 h PRO 110 CO 0.71 0.30 0.41 -0.09 -0.21 0.00 0.00 178.00 179.12 2wh8 h ARG 111 N 0.46 0.90 0.00 1.05 2.43 -1.99 -1.37 114.38 115.86 2wh8 h ARG 111 Ca 0.59 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.60 2wh8 h ARG 111 Cb 1.12 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 2wh8 h ARG 111 CO -0.51 0.62 -0.41 1.96 -1.51 0.00 0.00 179.97 180.13 2wh8 h GLN 112 N 0.92 0.00 0.14 0.20 1.08 -1.42 -1.42 115.11 114.61 2wh8 h GLN 112 Ca 0.24 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.16 2wh8 h GLN 112 Cb -0.05 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.39 2wh8 h GLN 112 CO -0.05 0.41 -1.27 -0.24 -0.95 0.00 0.00 178.83 176.73 2wh8 h VAL 113 N 0.00 1.46 -0.58 -0.54 3.04 -1.32 -3.32 116.25 114.99 2wh8 h VAL 113 Ca -0.00 -2.99 -0.09 0.00 -1.01 0.00 0.00 66.70 62.61 2wh8 h VAL 113 Cb 0.98 2.94 -0.02 0.00 -2.01 0.00 0.00 31.29 33.18 2wh8 h VAL 113 CO 0.05 0.88 0.01 -0.33 -1.01 0.00 0.00 177.57 177.17 2wh8 h GLU 114 N 0.09 0.99 0.00 4.17 5.08 -0.88 -2.95 114.58 121.09 2wh8 h GLU 114 Ca -0.15 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 57.90 2wh8 h GLU 114 Cb 1.99 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 31.13 2wh8 h GLU 114 CO 0.21 0.97 -0.09 1.79 -1.00 0.00 0.00 179.01 180.89 2wh8 h THR 115 N 0.91 0.17 0.00 1.13 1.35 -1.38 -3.04 112.91 112.06 2wh8 h THR 115 Ca 0.17 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 2wh8 h THR 115 Cb 0.52 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2wh8 h THR 115 CO 0.03 0.09 -1.09 0.55 -0.25 0.00 0.00 175.52 174.84 2wh8 n VAL 116 N -3.15 0.23 -0.29 6.82 3.14 -1.18 -4.52 118.33 119.39 2wh8 n VAL 116 Ca 0.02 -0.32 0.01 0.00 -2.96 0.00 0.00 64.34 61.09 2wh8 n VAL 116 Cb 0.48 0.09 0.14 0.00 -1.06 0.00 0.00 33.84 33.48 2wh8 n VAL 116 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2wh8 h GLU 117 N 0.00 0.83 -0.11 1.45 4.81 -1.39 -0.50 114.58 119.67 2wh8 h GLU 117 Ca 0.00 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 2wh8 h GLU 117 Cb 0.80 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2wh8 h GLU 117 CO 0.00 0.55 -0.14 -1.35 -0.73 0.00 0.00 179.01 177.34 2wh8 h PRO 118 N 0.86 0.17 -0.34 0.92 0.11 -1.79 0.74 132.00 132.67 2wh8 h PRO 118 Ca 0.36 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.38 2wh8 h PRO 118 Cb 0.22 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 2wh8 h PRO 118 CO -0.19 0.32 0.01 1.15 -0.21 0.00 0.00 178.00 179.07 2wh8 h THR 119 N 0.16 1.26 -0.49 -1.15 2.02 -1.43 -1.70 112.91 111.58 2wh8 h THR 119 Ca 0.03 -0.95 0.05 0.00 0.77 0.00 0.00 66.41 66.31 2wh8 h THR 119 Cb 0.35 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 2wh8 h THR 119 CO 0.02 0.31 0.23 0.58 0.37 0.00 0.00 175.52 177.03 2wh8 h VAL 120 N 0.41 0.93 -0.64 3.16 2.07 -0.74 -2.60 116.25 118.83 2wh8 h VAL 120 Ca 0.10 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 2wh8 h VAL 120 Cb 0.44 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2wh8 h VAL 120 CO 0.02 0.08 0.09 -0.09 0.02 0.00 0.00 177.57 177.68 2wh8 h ARG 121 N 0.45 1.08 -0.55 1.57 2.43 -0.66 -1.02 114.38 117.67 2wh8 h ARG 121 Ca 0.22 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 2wh8 h ARG 121 Cb 0.15 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2wh8 h ARG 121 CO -0.17 1.00 0.14 -0.22 -1.51 0.00 0.00 179.97 179.21 2wh8 h LYS 122 N 0.99 0.84 -0.06 0.20 3.64 -1.19 -0.08 116.57 120.90 2wh8 h LYS 122 Ca 0.19 -0.17 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 2wh8 h LYS 122 Cb 0.46 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2wh8 h LYS 122 CO 0.02 0.75 -0.35 0.35 -2.27 0.00 0.00 179.45 177.94 2wh8 h PHE 123 N 0.81 0.48 -0.26 1.91 3.57 -1.04 -1.68 116.94 120.72 2wh8 h PHE 123 Ca 0.18 -0.22 0.06 0.00 3.53 0.00 0.00 57.97 61.53 2wh8 h PHE 123 Cb 0.28 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.89 2wh8 h PHE 123 CO 0.02 0.97 -0.17 0.28 -2.23 0.00 0.00 178.31 177.17 2wh8 h VAL 124 N -0.14 0.51 -0.22 1.41 2.07 -0.97 -1.40 116.25 117.51 2wh8 h VAL 124 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 2wh8 h VAL 124 Cb 1.01 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2wh8 h VAL 124 CO 0.07 0.00 -0.00 0.58 0.02 0.00 0.00 177.57 178.24 2wh8 h VAL 125 N -0.15 0.84 -0.49 2.57 2.07 -1.02 0.37 116.25 120.45 2wh8 h VAL 125 Ca 0.14 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.70 2wh8 h VAL 125 Cb 0.37 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2wh8 h VAL 125 CO -0.36 0.01 0.18 -0.33 0.02 0.00 0.00 177.57 177.09 2wh8 h GLU 126 N 0.07 0.35 -0.00 1.57 5.08 -1.01 0.29 114.58 120.92 2wh8 h GLU 126 Ca 0.10 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.22 2wh8 h GLU 126 Cb 0.13 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2wh8 h GLU 126 CO -0.18 0.23 -0.92 0.00 -1.00 0.00 0.00 179.01 177.14 2wh8 h ARG 127 N 0.36 0.37 -0.29 2.33 2.47 -0.89 -1.85 114.38 116.88 2wh8 h ARG 127 Ca 0.23 -0.40 -0.12 0.00 -1.26 0.00 0.00 59.98 58.43 2wh8 h ARG 127 Cb 0.24 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 2wh8 h ARG 127 CO -0.23 1.07 -0.33 -0.07 0.56 0.00 0.00 179.97 180.97 2wh8 h LEU 128 N 0.21 0.66 -0.83 3.04 3.38 -0.76 -0.76 115.31 120.25 2wh8 h LEU 128 Ca -0.07 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.51 2wh8 h LEU 128 Cb 1.55 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 2wh8 h LEU 128 CO 0.16 0.94 -0.45 -0.33 0.09 0.00 0.00 178.44 178.84 2wh8 h GLU 129 N 0.54 0.30 -0.25 1.13 4.39 -0.84 -0.76 114.58 119.09 2wh8 h GLU 129 Ca 0.06 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 2wh8 h GLU 129 Cb 0.83 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2wh8 h GLU 129 CO 0.07 0.70 -0.07 0.87 -1.16 0.00 0.00 179.01 179.41 2wh8 h LYS 130 N 0.24 0.49 -0.30 2.33 6.56 -1.02 -1.07 116.57 123.80 2wh8 h LYS 130 Ca 0.02 -0.19 0.05 0.00 -1.06 0.00 0.00 60.65 59.46 2wh8 h LYS 130 Cb 0.90 -0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 32.49 2wh8 h LYS 130 CO 0.07 0.72 0.01 -0.07 -2.06 0.00 0.00 179.45 178.12 2wh8 h LEU 131 N 0.23 -0.10 0.18 2.94 3.38 -0.99 -1.83 115.31 119.12 2wh8 h LEU 131 Ca 0.06 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2wh8 h LEU 131 Cb 0.55 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2wh8 h LEU 131 CO 0.03 -0.02 -0.11 0.03 0.09 0.00 0.00 178.44 178.47 2wh8 h ARG 132 N 0.10 -0.26 -0.94 1.13 3.08 -1.04 0.75 114.38 117.20 2wh8 h ARG 132 Ca 0.14 0.02 0.19 0.00 0.07 0.00 0.00 59.98 60.40 2wh8 h ARG 132 Cb 0.18 0.06 -0.11 0.00 0.08 0.00 0.00 29.97 30.18 2wh8 h ARG 132 CO -0.23 -0.18 0.51 0.00 -1.07 0.00 0.00 179.97 179.01 2wh8 h ALA 133 N 0.55 1.52 -0.02 0.04 0.00 -1.03 0.16 119.26 120.49 2wh8 h ALA 133 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wh8 h ALA 133 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wh8 h ALA 133 CO 0.02 -0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.21 2wh8 n ASN 134 N -4.87 0.53 -0.43 0.00 3.02 -0.63 -4.90 115.26 107.99 2wh8 n ASN 134 Ca 0.22 -1.25 -0.06 0.00 -0.03 0.00 0.00 54.58 53.46 2wh8 n ASN 134 Cb 0.57 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.71 2wh8 n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wh8 n GLY 135 N 1.03 0.75 0.00 7.41 0.00 0.56 -4.84 105.19 110.10 2wh8 n GLY 135 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2wh8 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh8 n GLY 136 N -1.41 0.64 0.00 -0.02 0.00 0.24 -2.07 105.19 102.58 2wh8 n GLY 136 Ca -0.06 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.82 2wh8 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh8 n GLY 137 N 0.00 -0.10 3.47 -0.02 0.00 0.39 -4.74 105.19 104.20 2wh8 n GLY 137 Ca 0.00 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 2wh8 n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wh8 s ASP 138 N -4.00 6.26 0.53 1.61 -1.08 -1.26 -1.29 116.67 117.43 2wh8 s ASP 138 Ca 0.00 -0.71 0.30 0.00 -0.52 0.00 0.00 52.55 51.62 2wh8 s ASP 138 Cb 0.00 -2.31 1.41 0.00 -1.46 0.00 0.00 42.92 40.56 2wh8 s ASP 138 CO 0.00 -0.89 2.02 -0.29 0.52 0.00 0.00 175.17 176.53 2wh8 h ILE 139 N 5.88 0.33 0.32 4.11 2.10 -1.81 0.26 117.51 128.69 2wh8 h ILE 139 Ca -0.27 -0.61 -0.02 0.00 1.08 0.00 0.00 64.86 65.04 2wh8 h ILE 139 Cb 1.09 1.46 0.00 0.00 -1.09 0.00 0.00 36.82 38.28 2wh8 h ILE 139 CO 0.95 0.10 -0.15 0.58 -1.08 0.00 0.00 178.15 178.55 2wh8 h VAL 140 N 0.00 0.48 -1.00 2.19 2.07 -1.90 0.04 116.25 118.14 2wh8 h VAL 140 Ca -0.00 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.78 2wh8 h VAL 140 Cb 0.45 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 2wh8 h VAL 140 CO 0.01 0.11 0.65 0.71 0.02 0.00 0.00 177.57 179.07 2wh8 h THR 141 N -0.96 1.17 0.00 2.57 1.35 -1.71 0.14 112.91 115.48 2wh8 h THR 141 Ca -0.04 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2wh8 h THR 141 Cb 0.50 -0.20 0.00 0.00 -1.73 0.00 0.00 68.15 66.73 2wh8 h THR 141 CO 0.07 0.23 -0.39 -0.62 -0.25 0.00 0.00 175.52 174.56 2wh8 n GLU 142 N -4.45 0.20 0.15 4.72 -0.58 0.04 -4.58 120.64 116.14 2wh8 n GLU 142 Ca 0.13 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 2wh8 n GLU 142 Cb 0.09 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.31 2wh8 n GLU 142 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2wh8 n LEU 143 N -1.95 -1.83 0.22 -4.62 7.94 -0.80 -4.86 117.00 111.10 2wh8 n LEU 143 Ca 0.05 0.57 0.10 0.00 -1.11 0.00 0.00 56.01 55.62 2wh8 n LEU 143 Cb 0.41 1.84 0.38 0.00 0.53 0.00 0.00 43.42 46.57 2wh8 n LEU 143 CO 0.34 -0.28 0.78 -0.26 -1.11 0.00 0.00 177.39 176.85 2wh8 h PHE 144 N 0.00 0.00 0.16 1.96 0.04 -0.51 -1.69 116.94 116.90 2wh8 h PHE 144 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2wh8 h PHE 144 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2wh8 h PHE 144 CO 0.00 0.20 -0.08 -0.22 -0.60 0.00 0.00 178.31 177.62 2wh8 h LYS 145 N 0.00 -0.21 0.00 1.51 3.64 -0.98 -3.38 116.57 117.15 2wh8 h LYS 145 Ca -0.00 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 2wh8 h LYS 145 Cb 0.85 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2wh8 h LYS 145 CO 0.03 0.15 -0.43 -1.00 -2.27 0.00 0.00 179.45 175.93 2wh8 h PRO 146 N -0.96 0.00 0.02 1.90 0.13 -1.75 -3.36 132.00 127.98 2wh8 h PRO 146 Ca -0.02 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.13 2wh8 h PRO 146 Cb 0.45 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 2wh8 h PRO 146 CO 0.04 0.43 -0.16 1.25 -0.23 0.00 0.00 178.00 179.33 2wh8 h LEU 147 N 0.00 -0.46 -2.49 1.56 5.85 -1.48 -2.69 115.31 115.60 2wh8 h LEU 147 Ca -0.00 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2wh8 h LEU 147 Cb 0.96 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2wh8 h LEU 147 CO 0.06 -0.22 -0.02 1.55 -0.34 0.00 0.00 178.44 179.47 2wh8 h PRO 148 N -0.27 0.00 -0.39 5.25 0.13 -1.78 -2.25 132.00 132.69 2wh8 h PRO 148 Ca 0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.05 2wh8 h PRO 148 Cb 0.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 2wh8 h PRO 148 CO -0.14 0.02 -0.26 1.03 -0.23 0.00 0.00 178.00 178.41 2wh8 h SER 149 N 0.00 0.83 -0.68 1.44 0.87 -1.70 -1.28 113.55 113.03 2wh8 h SER 149 Ca -0.00 -0.32 0.01 0.00 -1.23 0.00 0.00 61.79 60.25 2wh8 h SER 149 Cb 0.14 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 2wh8 h SER 149 CO 0.00 1.05 0.45 0.24 -0.53 0.00 0.00 176.83 178.04 2wh8 h MET 150 N 0.69 0.87 -0.09 2.24 2.86 -1.49 0.41 114.93 120.42 2wh8 h MET 150 Ca 0.09 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 2wh8 h MET 150 Cb 0.80 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.26 2wh8 h MET 150 CO 0.07 0.58 -0.18 0.28 1.06 0.00 0.00 176.91 178.71 2wh8 h VAL 151 N 0.90 1.40 -0.75 -2.22 2.07 -1.45 -1.12 116.25 115.07 2wh8 h VAL 151 Ca 0.26 -1.47 0.12 0.00 0.82 0.00 0.00 66.70 66.42 2wh8 h VAL 151 Cb -0.06 2.14 -0.08 0.00 -1.52 0.00 0.00 31.29 31.76 2wh8 h VAL 151 CO -0.06 0.42 0.35 0.58 0.02 0.00 0.00 177.57 178.88 2wh8 h VAL 152 N -0.18 0.76 -0.52 2.57 2.07 -1.16 -1.70 116.25 118.08 2wh8 h VAL 152 Ca 0.00 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.38 2wh8 h VAL 152 Cb 0.77 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2wh8 h VAL 152 CO 0.04 0.10 0.26 0.00 0.02 0.00 0.00 177.57 177.99 2wh8 h ALA 153 N 1.50 0.67 -0.38 1.67 0.00 -0.61 -1.56 119.26 120.55 2wh8 h ALA 153 Ca 0.39 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.38 2wh8 h ALA 153 Cb 0.51 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2wh8 h ALA 153 CO -0.34 -0.08 0.08 1.25 0.00 0.00 0.00 179.25 180.16 2wh8 h HIS 154 N 0.51 0.13 0.00 0.00 6.17 -0.65 -1.11 115.15 120.21 2wh8 h HIS 154 Ca 0.23 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.34 2wh8 h HIS 154 Cb 0.15 -0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.07 2wh8 h HIS 154 CO -0.10 0.02 0.00 1.88 0.71 0.00 0.00 177.93 180.44 2wh8 h TYR 155 N 0.21 0.00 -0.05 5.26 -1.99 -0.58 -1.37 116.97 118.45 2wh8 h TYR 155 Ca 0.18 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.91 2wh8 h TYR 155 Cb 0.21 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.94 2wh8 h TYR 155 CO -0.19 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.25 2wh8 n LEU 156 N -2.41 2.29 -1.54 3.88 4.77 -0.66 -2.93 117.00 120.39 2wh8 n LEU 156 Ca 0.03 -0.79 -0.14 0.00 -0.03 0.00 0.00 56.01 55.09 2wh8 n LEU 156 Cb 0.34 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.40 2wh8 n LEU 156 CO 0.26 0.39 -0.18 0.61 -1.33 0.00 0.00 177.39 177.15 2wh8 n GLY 157 N 1.27 0.04 3.70 -0.72 0.00 -0.52 -4.63 105.19 104.33 2wh8 n GLY 157 Ca 0.17 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2wh8 n GLY 157 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh8 s VAL 158 N -2.68 4.45 0.32 1.61 1.01 -0.48 -4.98 120.40 119.64 2wh8 s VAL 158 Ca 0.00 1.75 -0.29 0.00 0.00 0.00 0.00 61.98 63.45 2wh8 s VAL 158 Cb 0.00 -4.12 -0.13 0.00 0.00 0.00 0.00 36.38 32.13 2wh8 s VAL 158 CO 0.00 0.08 1.30 -2.65 0.00 0.00 0.00 175.10 173.82 2wh8 n PRO 159 N 4.42 2.06 -0.09 2.72 -0.02 -1.26 -4.64 135.00 138.19 2wh8 n PRO 159 Ca 0.09 0.72 0.25 0.00 -2.02 0.00 0.00 63.50 62.54 2wh8 n PRO 159 Cb 0.48 -2.31 0.72 0.00 -0.02 0.00 0.00 33.50 32.37 2wh8 n PRO 159 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wh8 h GLU 160 N 2.86 0.00 0.00 -0.52 4.81 -1.97 -0.45 114.58 119.31 2wh8 h GLU 160 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2wh8 h GLU 160 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2wh8 h GLU 160 CO 0.65 0.00 0.00 -0.85 -0.73 0.00 0.00 179.01 178.08 2wh8 n GLU 161 N -4.15 0.12 -0.23 1.92 0.00 -1.26 -2.30 120.64 114.75 2wh8 n GLU 161 Ca 0.14 0.20 0.11 0.00 0.00 0.00 0.00 57.16 57.61 2wh8 n GLU 161 Cb 0.83 -1.67 0.26 0.00 0.00 0.00 0.00 31.44 30.87 2wh8 n GLU 161 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2wh8 n ASP 162 N -1.88 3.15 -0.21 -1.84 8.00 -0.18 -4.60 116.55 118.99 2wh8 n ASP 162 Ca 0.05 -1.96 -0.08 0.00 0.71 0.00 0.00 54.79 53.51 2wh8 n ASP 162 Cb 0.32 -0.30 0.02 0.00 -0.02 0.00 0.00 41.12 41.14 2wh8 n ASP 162 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 2wh8 h TRP 163 N 3.81 1.00 -0.41 1.24 4.06 -1.53 -0.66 115.95 123.47 2wh8 h TRP 163 Ca 0.00 -0.12 -0.02 0.00 2.06 0.00 0.00 58.89 60.81 2wh8 h TRP 163 Cb 0.85 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.71 2wh8 h TRP 163 CO 0.30 0.85 0.20 1.15 -3.56 0.00 0.00 178.44 177.37 2wh8 h THR 164 N 0.86 1.18 0.12 1.49 2.02 -1.81 0.23 112.91 116.99 2wh8 h THR 164 Ca 0.18 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2wh8 h THR 164 Cb 0.36 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 2wh8 h THR 164 CO 0.00 0.19 -0.10 -0.61 0.37 0.00 0.00 175.52 175.37 2wh8 h GLN 165 N 0.52 -0.23 -0.74 6.66 4.15 -1.84 -0.96 115.11 122.68 2wh8 h GLN 165 Ca 0.14 0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.64 2wh8 h GLN 165 Cb 0.12 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.81 2wh8 h GLN 165 CO -0.02 -0.15 0.42 0.35 -1.93 0.00 0.00 178.83 177.50 2wh8 h PHE 166 N -0.24 0.78 -0.43 3.99 3.57 -0.94 -1.68 116.94 121.99 2wh8 h PHE 166 Ca 0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2wh8 h PHE 166 Cb 0.22 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 2wh8 h PHE 166 CO -0.11 0.37 0.14 0.22 -2.23 0.00 0.00 178.31 176.69 2wh8 h ASP 167 N 0.77 0.58 -0.01 0.41 3.58 -0.30 -0.98 116.42 120.46 2wh8 h ASP 167 Ca 0.33 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.72 2wh8 h ASP 167 Cb 0.21 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2wh8 h ASP 167 CO -0.19 0.55 -0.06 1.23 -2.88 0.00 0.00 179.24 177.89 2wh8 h GLY 168 N 0.81 -0.06 1.00 -0.78 0.00 -0.25 -1.20 103.07 102.59 2wh8 h GLY 168 Ca 0.15 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 2wh8 h GLY 168 CO -0.01 -0.07 0.36 1.49 0.00 0.00 0.00 176.54 178.31 2wh8 h TRP 169 N -0.11 0.81 -0.32 5.60 6.55 -1.20 -3.02 115.95 124.26 2wh8 h TRP 169 Ca 0.03 -0.01 0.02 0.00 0.95 0.00 0.00 58.89 59.88 2wh8 h TRP 169 Cb 0.15 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 28.16 2wh8 h TRP 169 CO -0.14 0.56 0.18 1.15 -1.05 0.00 0.00 178.44 179.14 2wh8 h THR 170 N 0.82 1.02 -0.59 1.49 2.02 -0.91 -2.02 112.91 114.75 2wh8 h THR 170 Ca 0.22 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.26 2wh8 h THR 170 Cb -0.01 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 2wh8 h THR 170 CO -0.04 0.07 0.30 1.56 0.37 0.00 0.00 175.52 177.78 2wh8 h GLN 171 N 0.36 0.82 -0.37 6.66 1.08 -1.11 0.86 115.11 123.42 2wh8 h GLN 171 Ca 0.13 -0.09 -0.08 0.00 -1.45 0.00 0.00 58.65 57.16 2wh8 h GLN 171 Cb 0.01 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 2wh8 h GLN 171 CO -0.07 0.62 -0.08 0.00 -0.95 0.00 0.00 178.83 178.35 2wh8 h ALA 172 N 1.51 0.50 -0.41 3.87 0.00 -1.36 -1.83 119.26 121.54 2wh8 h ALA 172 Ca 0.21 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2wh8 h ALA 172 Cb 0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2wh8 h ALA 172 CO -0.03 0.35 0.11 0.82 0.00 0.00 0.00 179.25 180.50 2wh8 h ILE 173 N 0.50 1.22 -0.63 0.00 2.04 -0.79 -2.04 117.51 117.81 2wh8 h ILE 173 Ca 0.09 -0.75 -0.08 0.00 1.00 0.00 0.00 64.86 65.12 2wh8 h ILE 173 Cb 0.59 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 2wh8 h ILE 173 CO 0.03 0.26 0.08 0.58 0.00 0.00 0.00 178.15 179.11 2wh8 h VAL 174 N 0.52 1.26 0.13 1.67 2.07 -0.74 -2.77 116.25 118.39 2wh8 h VAL 174 Ca 0.13 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2wh8 h VAL 174 Cb 0.29 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2wh8 h VAL 174 CO -0.00 0.39 -0.06 0.00 0.02 0.00 0.00 177.57 177.91 2wh8 h ALA 175 N 1.10 -0.18 -3.00 1.67 0.00 -1.23 -3.50 119.26 114.12 2wh8 h ALA 175 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wh8 h ALA 175 Cb 0.45 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2wh8 h ALA 175 CO 0.02 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 178.73 2wh8 n ALA 176 N -2.23 0.00 0.00 0.00 0.00 -0.77 -5.12 120.51 112.38 2wh8 n ALA 176 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2wh8 n ALA 176 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2wh8 n ALA 176 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh8 n GLY 185 N 0.00 3.18 2.76 0.00 0.00 -1.26 -5.11 105.19 104.76 2wh8 n GLY 185 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wh8 n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh8 n ALA 186 N -1.87 2.60 -0.06 4.61 0.00 -1.26 -4.96 120.51 119.57 2wh8 n ALA 186 Ca 0.00 -2.59 -0.08 0.00 0.00 0.00 0.00 53.44 50.77 2wh8 n ALA 186 Cb 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 2wh8 n ALA 186 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wh8 h LEU 187 N 2.41 -0.01 -0.69 0.00 4.07 -1.99 0.27 115.31 119.38 2wh8 h LEU 187 Ca -0.17 0.04 0.03 0.00 0.08 0.00 0.00 57.88 57.86 2wh8 h LEU 187 Cb 1.30 0.06 -0.04 0.00 1.08 0.00 0.00 40.66 43.05 2wh8 h LEU 187 CO 0.15 0.03 0.43 0.44 -1.08 0.00 0.00 178.44 178.40 2wh8 h ASP 188 N 0.13 0.70 -0.46 -0.43 3.32 -1.99 -1.49 116.42 116.20 2wh8 h ASP 188 Ca 0.11 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 2wh8 h ASP 188 Cb 0.11 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2wh8 h ASP 188 CO -0.15 0.49 -0.12 0.00 -1.72 0.00 0.00 179.24 177.74 2wh8 h ALA 189 N 1.29 0.84 -0.12 3.45 0.00 -1.54 0.11 119.26 123.30 2wh8 h ALA 189 Ca 0.27 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wh8 h ALA 189 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wh8 h ALA 189 CO -0.11 0.65 0.06 0.28 0.00 0.00 0.00 179.25 180.13 2wh8 h VAL 190 N 0.84 1.11 -0.57 0.00 2.07 -0.90 -0.49 116.25 118.31 2wh8 h VAL 190 Ca 0.13 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2wh8 h VAL 190 Cb 0.66 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2wh8 h VAL 190 CO 0.05 0.10 0.36 1.23 0.02 0.00 0.00 177.57 179.32 2wh8 h GLY 191 N 0.07 0.80 0.98 2.17 0.00 -0.81 0.25 103.07 106.54 2wh8 h GLY 191 Ca 0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 2wh8 h GLY 191 CO -0.01 0.25 0.15 1.76 0.00 0.00 0.00 176.54 178.69 2wh8 h SER 192 N 0.72 0.28 -0.43 0.19 0.02 -0.52 0.05 113.55 113.87 2wh8 h SER 192 Ca 0.22 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 2wh8 h SER 192 Cb -0.03 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2wh8 h SER 192 CO -0.07 0.25 0.09 -0.03 -1.14 0.00 0.00 176.83 175.92 2wh8 h MET 193 N 0.30 0.70 -0.22 3.45 4.05 -0.71 0.10 114.93 122.59 2wh8 h MET 193 Ca 0.09 -0.18 -0.07 0.00 -0.28 0.00 0.00 59.70 59.26 2wh8 h MET 193 Cb 0.01 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 2wh8 h MET 193 CO -0.02 0.72 -0.18 0.52 0.23 0.00 0.00 176.91 178.18 2wh8 h MET 194 N 0.56 0.38 -0.19 0.39 2.86 -0.79 0.78 114.93 118.92 2wh8 h MET 194 Ca 0.13 -0.11 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2wh8 h MET 194 Cb 0.34 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 2wh8 h MET 194 CO 0.00 0.55 -0.12 0.00 1.06 0.00 0.00 176.91 178.40 2wh8 h ALA 195 N 1.47 0.27 -0.12 6.32 0.00 -0.74 -2.49 119.26 123.98 2wh8 h ALA 195 Ca 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2wh8 h ALA 195 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2wh8 h ALA 195 CO 0.03 0.13 0.05 -0.92 0.00 0.00 0.00 179.25 178.55 2wh8 h TYR 196 N 0.11 0.18 -0.05 0.00 3.20 -0.53 -2.69 116.97 117.17 2wh8 h TYR 196 Ca 0.04 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 2wh8 h TYR 196 Cb 0.63 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 2wh8 h TYR 196 CO 0.07 0.26 -0.62 0.74 -1.64 0.00 0.00 178.16 176.97 2wh8 h PHE 197 N 0.05 0.25 -0.66 -3.82 0.04 -0.95 -1.06 116.94 110.80 2wh8 h PHE 197 Ca 0.04 -0.10 0.09 0.00 2.80 0.00 0.00 57.97 60.80 2wh8 h PHE 197 Cb 0.15 -0.04 -0.07 0.00 2.20 0.00 0.00 35.95 38.19 2wh8 h PHE 197 CO -0.02 0.76 0.30 1.15 -0.60 0.00 0.00 178.31 179.90 2wh8 h THR 198 N 0.14 0.83 -0.50 -1.55 2.02 -1.40 0.20 112.91 112.65 2wh8 h THR 198 Ca -0.01 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.89 2wh8 h THR 198 Cb 1.13 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 2wh8 h THR 198 CO 0.09 0.10 -0.10 1.23 0.37 0.00 0.00 175.52 177.21 2wh8 h GLY 199 N 0.52 0.99 1.33 2.16 0.00 -1.10 -2.81 103.07 104.17 2wh8 h GLY 199 Ca 0.32 -0.77 -0.16 0.00 0.00 0.00 0.00 47.33 46.72 2wh8 h GLY 199 CO -0.27 0.71 -0.50 -2.00 0.00 0.00 0.00 176.54 174.47 2wh8 h LEU 200 N 0.82 0.78 -0.65 3.11 5.85 -0.51 -1.54 115.31 123.18 2wh8 h LEU 200 Ca 0.13 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.50 2wh8 h LEU 200 Cb 0.63 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 2wh8 h LEU 200 CO 0.04 1.14 0.38 0.40 -0.34 0.00 0.00 178.44 180.07 2wh8 h ILE 201 N 0.56 1.03 -0.22 4.05 2.04 -0.60 -0.64 117.51 123.71 2wh8 h ILE 201 Ca 0.02 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2wh8 h ILE 201 Cb 1.07 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2wh8 h ILE 201 CO 0.10 0.13 0.07 -0.08 0.00 0.00 0.00 178.15 178.38 2wh8 h GLU 202 N 0.73 0.34 -0.96 2.37 4.57 -1.27 -2.72 114.58 117.65 2wh8 h GLU 202 Ca 0.28 -0.07 0.06 0.00 -1.18 0.00 0.00 59.36 58.44 2wh8 h GLU 202 Cb 0.09 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.57 2wh8 h GLU 202 CO -0.14 0.42 0.63 -0.09 -1.18 0.00 0.00 179.01 178.65 2wh8 h ARG 203 N 0.19 1.10 0.00 1.92 2.43 -0.96 -2.52 114.38 116.55 2wh8 h ARG 203 Ca 0.07 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2wh8 h ARG 203 Cb 0.22 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2wh8 h ARG 203 CO -0.00 0.73 0.00 0.54 -1.51 0.00 0.00 179.97 179.72 2wh8 n ARG 204 N -4.48 0.14 -0.02 0.20 5.12 -0.28 -1.06 116.66 116.29 2wh8 n ARG 204 Ca 0.14 0.47 0.01 0.00 -1.93 0.00 0.00 57.85 56.55 2wh8 n ARG 204 Cb 0.17 -1.83 0.32 0.00 -1.16 0.00 0.00 32.46 29.96 2wh8 n ARG 204 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wh8 h ARG 205 N 0.00 0.56 0.00 5.56 3.08 -1.36 -3.24 114.38 118.98 2wh8 h ARG 205 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2wh8 h ARG 205 Cb 0.22 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2wh8 h ARG 205 CO 0.00 0.52 -1.21 0.25 -1.07 0.00 0.00 179.97 178.45 2wh8 n THR 206 N -4.34 0.00 -3.34 2.04 -2.24 -0.91 -4.77 114.28 100.73 2wh8 n THR 206 Ca 0.02 -0.14 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 2wh8 n THR 206 Cb 0.19 0.40 -0.07 0.00 -2.10 0.00 0.00 70.33 68.74 2wh8 n THR 206 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wh8 n GLU 207 N -1.67 2.25 -2.53 -0.78 1.02 -0.22 -5.09 120.64 113.61 2wh8 n GLU 207 Ca -0.01 -4.42 -0.41 0.00 -0.02 0.00 0.00 57.16 52.30 2wh8 n GLU 207 Cb 0.15 -2.07 -0.04 0.00 -0.02 0.00 0.00 31.44 29.46 2wh8 n GLU 207 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2wh8 s PRO 208 N -2.33 4.61 0.00 3.49 0.04 -1.22 -4.53 135.00 135.05 2wh8 s PRO 208 Ca 0.40 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2wh8 s PRO 208 Cb 0.17 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.43 2wh8 s PRO 208 CO -0.04 0.11 0.00 0.00 0.04 0.00 0.00 177.00 177.11 2wh8 n ALA 209 N 2.28 0.00 0.60 8.56 0.00 -1.26 -5.04 120.51 125.66 2wh8 n ALA 209 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.58 2wh8 n ALA 209 Cb 0.46 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.16 2wh8 n ALA 209 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wh8 n ASP 210 N 0.00 2.99 -4.71 0.00 8.00 -1.26 -4.58 116.55 116.99 2wh8 n ASP 210 Ca 0.00 -1.93 -0.27 0.00 0.71 0.00 0.00 54.79 53.31 2wh8 n ASP 210 Cb 0.00 -0.19 0.10 0.00 -0.02 0.00 0.00 41.12 41.01 2wh8 n ASP 210 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2wh8 s ASP 211 N -1.56 4.32 0.25 -2.24 -4.77 -1.26 -4.41 116.67 107.00 2wh8 s ASP 211 Ca 0.36 0.33 -0.01 0.00 -3.30 0.00 0.00 52.55 49.93 2wh8 s ASP 211 Cb 0.21 -0.78 0.31 0.00 -1.09 0.00 0.00 42.92 41.57 2wh8 s ASP 211 CO 0.30 -1.93 1.71 0.00 0.70 0.00 0.00 175.17 175.95 2wh8 h ALA 212 N -0.88 1.03 -0.01 2.11 0.00 -1.76 -1.21 119.26 118.54 2wh8 h ALA 212 Ca -0.43 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 2wh8 h ALA 212 Cb 1.29 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wh8 h ALA 212 CO 0.53 0.58 0.00 0.82 0.00 0.00 0.00 179.25 181.18 2wh8 h ILE 213 N 0.62 1.21 -0.76 0.00 2.04 -1.82 -1.88 117.51 116.92 2wh8 h ILE 213 Ca 0.10 -0.62 0.14 0.00 1.00 0.00 0.00 64.86 65.49 2wh8 h ILE 213 Cb 0.60 1.60 -0.09 0.00 -0.74 0.00 0.00 36.82 38.19 2wh8 h ILE 213 CO 0.04 0.16 0.31 0.28 0.00 0.00 0.00 178.15 178.94 2wh8 h SER 214 N -0.23 0.30 -0.85 1.72 0.02 -1.83 -0.03 113.55 112.66 2wh8 h SER 214 Ca 0.00 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2wh8 h SER 214 Cb 0.26 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 2wh8 h SER 214 CO 0.00 0.11 0.42 0.45 -1.14 0.00 0.00 176.83 176.68 2wh8 h HIS 215 N 0.45 1.20 -0.39 3.45 3.86 -0.99 0.59 115.15 123.33 2wh8 h HIS 215 Ca 0.42 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.55 2wh8 h HIS 215 Cb 0.63 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 2wh8 h HIS 215 CO -0.16 0.86 0.13 -0.07 0.86 0.00 0.00 177.93 179.54 2wh8 h LEU 216 N 1.20 0.56 -0.08 2.43 3.38 -0.46 -0.96 115.31 121.38 2wh8 h LEU 216 Ca 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2wh8 h LEU 216 Cb 0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2wh8 h LEU 216 CO -0.04 0.61 0.01 0.58 0.09 0.00 0.00 178.44 179.69 2wh8 h VAL 217 N 0.48 1.23 -0.11 1.22 2.07 -0.53 -0.49 116.25 120.12 2wh8 h VAL 217 Ca 0.13 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2wh8 h VAL 217 Cb 0.25 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2wh8 h VAL 217 CO -0.00 0.20 0.07 0.00 0.02 0.00 0.00 177.57 177.85 2wh8 h ALA 218 N 0.76 1.92 -0.16 1.67 0.00 0.17 -0.34 119.26 123.28 2wh8 h ALA 218 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wh8 h ALA 218 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wh8 h ALA 218 CO 0.00 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.33 2wh8 n ALA 219 N -2.52 2.50 -0.40 0.00 0.00 -0.37 -4.89 120.51 114.84 2wh8 n ALA 219 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2wh8 n ALA 219 Cb 0.08 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2wh8 n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh8 n GLY 220 N 0.90 0.75 3.69 0.00 0.00 -0.14 -5.02 105.19 105.38 2wh8 n GLY 220 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 2wh8 n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh8 s VAL 221 N -2.83 2.58 0.00 1.61 1.01 -0.22 -4.53 120.40 118.03 2wh8 s VAL 221 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2wh8 s VAL 221 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2wh8 s VAL 221 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2wh8 n GLY 222 N 4.18 0.55 2.96 4.51 0.00 -1.26 -4.48 105.19 111.66 2wh8 n GLY 222 Ca 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 2wh8 n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh8 n GLY 225 N -0.70 -1.95 0.00 -0.02 0.00 -1.26 -4.83 105.19 96.43 2wh8 n GLY 225 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2wh8 n GLY 225 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wh8 n ASP 226 N 1.33 0.00 0.00 1.61 3.85 -1.26 -3.76 116.55 118.32 2wh8 n ASP 226 Ca -0.05 0.00 0.05 0.00 -0.71 0.00 0.00 54.79 54.08 2wh8 n ASP 226 Cb 0.29 0.00 0.28 0.00 -1.35 0.00 0.00 41.12 40.34 2wh8 n ASP 226 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 2wh8 n THR 227 N 0.00 0.00 0.09 2.12 -2.24 -1.26 -1.12 114.28 111.86 2wh8 n THR 227 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2wh8 n THR 227 Cb 0.00 -0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 67.52 2wh8 n THR 227 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wh8 h ALA 228 N 2.57 0.19 -0.86 6.98 0.00 -1.98 -2.66 119.26 123.51 2wh8 h ALA 228 Ca 0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 54.91 53.99 2wh8 h ALA 228 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2wh8 h ALA 228 CO 0.00 1.08 0.51 0.78 0.00 0.00 0.00 179.25 181.62 2wh8 h GLY 229 N 2.09 1.25 1.07 0.00 0.00 -1.21 0.11 103.07 106.38 2wh8 h GLY 229 Ca -0.10 -0.53 -0.15 0.00 0.00 0.00 0.00 47.33 46.56 2wh8 h GLY 229 CO 0.18 0.51 -0.35 -0.84 0.00 0.00 0.00 176.54 176.04 2wh8 h THR 230 N 1.18 1.28 -0.84 4.70 2.02 -1.45 -1.30 112.91 118.51 2wh8 h THR 230 Ca 0.31 -1.52 -0.03 0.00 0.77 0.00 0.00 66.41 65.94 2wh8 h THR 230 Cb -0.03 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 2wh8 h THR 230 CO -0.06 0.50 0.41 0.25 0.37 0.00 0.00 175.52 177.00 2wh8 h LEU 231 N 0.65 1.09 -1.16 2.58 6.46 -1.16 -0.23 115.31 123.54 2wh8 h LEU 231 Ca 0.06 -0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2wh8 h LEU 231 Cb 0.93 -0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 2wh8 h LEU 231 CO 0.09 0.92 0.57 0.77 -0.62 0.00 0.00 178.44 180.16 2wh8 h SER 232 N 1.19 0.97 -0.43 1.25 4.64 -0.47 0.42 113.55 121.12 2wh8 h SER 232 Ca 0.29 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.45 2wh8 h SER 232 Cb 0.11 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2wh8 h SER 232 CO -0.04 0.70 -0.24 0.40 -0.87 0.00 0.00 176.83 176.78 2wh8 h ILE 233 N 1.15 1.27 -0.68 0.95 2.04 -0.53 -0.85 117.51 120.85 2wh8 h ILE 233 Ca 0.32 -1.40 -0.07 0.00 1.00 0.00 0.00 64.86 64.70 2wh8 h ILE 233 Cb -0.10 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2wh8 h ILE 233 CO -0.08 0.48 0.14 -0.07 0.00 0.00 0.00 178.15 178.63 2wh8 h LEU 234 N 0.81 1.05 -0.41 1.44 3.38 -0.37 -0.77 115.31 120.45 2wh8 h LEU 234 Ca 0.10 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2wh8 h LEU 234 Cb 0.81 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2wh8 h LEU 234 CO 0.07 1.03 0.24 0.00 0.09 0.00 0.00 178.44 179.87 2wh8 h ALA 235 N 1.06 0.52 -0.67 1.53 0.00 -0.13 -1.43 119.26 120.15 2wh8 h ALA 235 Ca 0.21 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2wh8 h ALA 235 Cb 0.40 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2wh8 h ALA 235 CO 0.01 -0.08 0.41 0.35 0.00 0.00 0.00 179.25 179.94 2wh8 h PHE 236 N 0.49 0.77 -0.64 0.00 3.57 -0.72 -0.68 116.94 119.73 2wh8 h PHE 236 Ca 0.16 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.79 2wh8 h PHE 236 Cb 0.00 -0.25 -0.08 0.00 2.79 0.00 0.00 35.95 38.41 2wh8 h PHE 236 CO -0.07 0.44 0.23 1.15 -2.23 0.00 0.00 178.31 177.82 2wh8 h THR 237 N 0.81 0.72 -0.48 4.41 2.02 -0.52 -0.59 112.91 119.27 2wh8 h THR 237 Ca 0.27 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 67.21 2wh8 h THR 237 Cb 0.04 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 2wh8 h THR 237 CO -0.11 0.07 -0.14 -0.26 0.37 0.00 0.00 175.52 175.44 2wh8 h PHE 238 N 0.39 1.01 -0.54 3.16 0.04 -0.89 -1.07 116.94 119.04 2wh8 h PHE 238 Ca 0.33 -0.21 0.08 0.00 2.80 0.00 0.00 57.97 60.98 2wh8 h PHE 238 Cb 0.45 -0.25 -0.07 0.00 2.20 0.00 0.00 35.95 38.29 2wh8 h PHE 238 CO -0.18 0.98 0.18 1.15 -0.60 0.00 0.00 178.31 179.83 2wh8 h THR 239 N 0.80 0.78 -0.43 -1.55 2.02 -0.68 0.15 112.91 114.01 2wh8 h THR 239 Ca 0.12 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2wh8 h THR 239 Cb 0.68 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2wh8 h THR 239 CO 0.05 0.06 0.07 0.24 0.37 0.00 0.00 175.52 176.31 2wh8 h MET 240 N 0.35 0.70 -0.14 6.66 2.86 -0.78 -1.53 114.93 123.05 2wh8 h MET 240 Ca 0.27 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2wh8 h MET 240 Cb 0.33 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 2wh8 h MET 240 CO -0.29 0.74 -0.08 0.28 1.06 0.00 0.00 176.91 178.61 2wh8 h VAL 241 N 0.56 1.32 0.00 -2.22 2.07 -0.95 -0.60 116.25 116.44 2wh8 h VAL 241 Ca 0.13 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.50 2wh8 h VAL 241 Cb 0.37 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2wh8 h VAL 241 CO 0.01 0.33 0.00 0.71 0.02 0.00 0.00 177.57 178.64 2wh8 h THR 242 N -0.04 0.00 0.00 2.57 1.35 -0.72 -3.32 112.91 112.75 2wh8 h THR 242 Ca 0.03 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 2wh8 h THR 242 Cb 0.56 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 2wh8 h THR 242 CO 0.02 0.00 -1.32 0.61 -0.25 0.00 0.00 175.52 174.58 2wh8 n GLY 243 N 0.73 -0.43 0.67 5.82 0.00 -0.58 -4.71 105.19 106.68 2wh8 n GLY 243 Ca 0.03 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.87 2wh8 n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh8 n GLY 244 N 1.72 0.40 0.58 -0.02 0.00 -0.24 -4.41 105.19 103.22 2wh8 n GLY 244 Ca -0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 2wh8 n GLY 244 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wh8 n ASN 245 N 0.54 0.36 -0.09 1.61 3.02 -1.25 -4.39 115.26 115.04 2wh8 n ASN 245 Ca 0.11 0.05 0.06 0.00 -0.03 0.00 0.00 54.58 54.77 2wh8 n ASN 245 Cb 0.50 -0.29 0.40 0.00 -0.61 0.00 0.00 39.78 39.78 2wh8 n ASN 245 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2wh8 h ASP 246 N -0.11 0.55 0.06 6.41 2.03 -1.85 -1.28 116.42 122.24 2wh8 h ASP 246 Ca 0.00 -0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.29 2wh8 h ASP 246 Cb 0.11 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 38.48 2wh8 h ASP 246 CO 0.00 0.37 -0.03 0.71 -1.03 0.00 0.00 179.24 179.27 2wh8 h THR 247 N 0.63 0.95 -0.65 1.15 1.35 -1.85 0.51 112.91 115.01 2wh8 h THR 247 Ca 0.24 -0.02 -0.02 0.00 -0.55 0.00 0.00 66.41 66.06 2wh8 h THR 247 Cb 0.15 0.96 -0.03 0.00 -1.73 0.00 0.00 68.15 67.50 2wh8 h THR 247 CO -0.07 0.00 0.33 0.58 -0.25 0.00 0.00 175.52 176.12 2wh8 h VAL 248 N -0.08 1.22 -0.98 6.82 2.07 -1.60 -0.37 116.25 123.32 2wh8 h VAL 248 Ca -0.01 -0.58 0.04 0.00 0.82 0.00 0.00 66.70 66.98 2wh8 h VAL 248 Cb 0.07 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 2wh8 h VAL 248 CO 0.01 0.24 0.64 0.74 0.02 0.00 0.00 177.57 179.23 2wh8 h THR 249 N 0.90 1.15 -0.62 2.57 2.02 -1.05 -0.47 112.91 117.40 2wh8 h THR 249 Ca 0.23 -0.42 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 2wh8 h THR 249 Cb 0.08 -0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.29 2wh8 h THR 249 CO -0.03 0.22 0.18 1.23 0.37 0.00 0.00 175.52 177.49 2wh8 h GLY 250 N 1.22 1.05 0.89 2.16 0.00 -0.24 0.83 103.07 108.97 2wh8 h GLY 250 Ca 0.40 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 2wh8 h GLY 250 CO -0.13 0.59 0.03 1.98 0.00 0.00 0.00 176.54 179.01 2wh8 h MET 251 N 0.89 0.10 0.18 4.80 -1.53 -0.38 0.93 114.93 119.92 2wh8 h MET 251 Ca 0.20 -0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.43 2wh8 h MET 251 Cb 0.32 -0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.35 2wh8 h MET 251 CO -0.00 0.19 -0.09 -0.07 0.14 0.00 0.00 176.91 177.08 2wh8 h LEU 252 N -0.01 -0.20 -0.30 3.39 3.38 -1.03 -1.76 115.31 118.78 2wh8 h LEU 252 Ca 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2wh8 h LEU 252 Cb 0.12 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2wh8 h LEU 252 CO -0.00 0.18 0.17 1.23 0.09 0.00 0.00 178.44 180.11 2wh8 h GLY 253 N -0.63 0.44 2.00 0.83 0.00 -0.92 -2.90 103.07 101.90 2wh8 h GLY 253 Ca -0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 2wh8 h GLY 253 CO 0.04 0.19 -0.17 -1.33 0.00 0.00 0.00 176.54 175.27 2wh8 h GLY 254 N 0.37 0.00 2.00 4.60 0.00 -0.83 -2.56 103.07 106.65 2wh8 h GLY 254 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 2wh8 h GLY 254 CO -0.02 0.00 -0.28 1.76 0.00 0.00 0.00 176.54 178.00 2wh8 h SER 255 N 0.00 0.00 0.13 0.19 0.02 -1.10 -3.34 113.55 109.45 2wh8 h SER 255 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2wh8 h SER 255 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2wh8 h SER 255 CO 0.02 0.28 -0.06 0.24 -1.14 0.00 0.00 176.83 176.17 2wh8 h MET 256 N 0.00 -0.17 -0.51 3.45 2.86 -1.45 -0.95 114.93 118.16 2wh8 h MET 256 Ca -0.00 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2wh8 h MET 256 Cb 0.69 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 2wh8 h MET 256 CO 0.04 -0.05 0.21 -1.00 1.06 0.00 0.00 176.91 177.16 2wh8 h PRO 257 N -0.25 0.72 -0.55 -0.22 0.13 -1.74 0.84 132.00 130.93 2wh8 h PRO 257 Ca -0.02 -0.10 -0.09 0.00 -0.87 0.00 0.00 66.00 64.92 2wh8 h PRO 257 Cb 0.20 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.18 2wh8 h PRO 257 CO 0.03 0.59 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.32 2wh8 h LEU 258 N 0.72 0.95 -0.12 1.56 3.38 -1.60 -1.72 115.31 118.49 2wh8 h LEU 258 Ca 0.17 -0.31 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 2wh8 h LEU 258 Cb 0.14 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2wh8 h LEU 258 CO -0.02 1.02 -0.37 -0.07 0.09 0.00 0.00 178.44 179.09 2wh8 h LEU 259 N 0.85 0.53 -1.24 1.67 3.38 -0.99 -3.27 115.31 116.22 2wh8 h LEU 259 Ca 0.15 -0.61 0.06 0.00 0.09 0.00 0.00 57.88 57.58 2wh8 h LEU 259 Cb 0.54 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 2wh8 h LEU 259 CO 0.03 1.04 0.54 -0.74 0.09 0.00 0.00 178.44 179.40 2wh8 h HIS 260 N 0.04 0.93 0.00 1.13 2.76 -0.62 -2.35 115.15 117.04 2wh8 h HIS 260 Ca -0.01 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2wh8 h HIS 260 Cb 1.00 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.65 2wh8 h HIS 260 CO 0.11 0.50 0.00 0.54 -1.30 0.00 0.00 177.93 177.78 2wh8 n ARG 261 N -4.48 0.06 -3.23 5.26 3.00 -0.67 -4.28 116.66 112.34 2wh8 n ARG 261 Ca 0.12 0.04 -0.24 0.00 -0.01 0.00 0.00 57.85 57.76 2wh8 n ARG 261 Cb 0.19 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.09 2wh8 n ARG 261 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wh8 n ARG 262 N -1.47 1.60 0.27 5.56 5.12 -0.88 -4.93 116.66 121.93 2wh8 n ARG 262 Ca 0.07 -3.88 0.17 0.00 -1.93 0.00 0.00 57.85 52.29 2wh8 n ARG 262 Cb 0.30 -1.73 0.93 0.00 -1.16 0.00 0.00 32.46 30.80 2wh8 n ARG 262 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2wh8 h PRO 263 N 3.75 0.00 -0.53 5.56 0.13 -1.74 0.39 132.00 139.55 2wh8 h PRO 263 Ca 0.12 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 2wh8 h PRO 263 Cb 0.78 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 2wh8 h PRO 263 CO 0.62 0.00 0.22 0.38 -0.23 0.00 0.00 178.00 178.99 2wh8 h ASP 264 N 0.00 0.69 -0.06 1.44 2.03 -1.93 -0.24 116.42 118.35 2wh8 h ASP 264 Ca 0.04 -0.08 -0.21 0.00 -0.73 0.00 0.00 57.03 56.05 2wh8 h ASP 264 Cb 0.27 -0.18 0.01 0.00 -0.83 0.00 0.00 39.33 38.61 2wh8 h ASP 264 CO -0.00 0.61 -0.79 1.56 -1.03 0.00 0.00 179.24 179.59 2wh8 h GLN 265 N 0.75 0.64 -0.74 4.15 1.08 -1.30 -1.32 115.11 118.37 2wh8 h GLN 265 Ca 0.18 -0.61 0.04 0.00 -1.45 0.00 0.00 58.65 56.82 2wh8 h GLN 265 Cb 0.14 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 2wh8 h GLN 265 CO -0.02 1.22 0.49 0.00 -0.95 0.00 0.00 178.83 179.57 2wh8 h ARG 266 N 0.29 0.84 0.01 1.46 3.08 -1.29 -1.93 114.38 116.83 2wh8 h ARG 266 Ca -0.08 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2wh8 h ARG 266 Cb 1.45 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2wh8 h ARG 266 CO 0.16 0.55 -0.00 -0.09 -1.07 0.00 0.00 179.97 179.52 2wh8 h ARG 267 N 0.86 -0.01 -0.93 0.04 9.65 -0.82 0.31 114.38 123.48 2wh8 h ARG 267 Ca 0.30 0.00 0.20 0.00 -1.10 0.00 0.00 59.98 59.39 2wh8 h ARG 267 Cb 0.12 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.63 2wh8 h ARG 267 CO -0.09 0.01 0.61 -0.07 2.80 0.00 0.00 179.97 183.23 2wh8 h LEU 268 N -0.03 0.49 0.00 3.80 4.07 -0.46 -1.44 115.31 121.74 2wh8 h LEU 268 Ca -0.00 0.05 -0.08 0.00 0.08 0.00 0.00 57.88 57.94 2wh8 h LEU 268 Cb 0.03 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 2wh8 h LEU 268 CO 0.00 0.19 -1.11 -0.07 -1.08 0.00 0.00 178.44 176.38 2wh8 h LEU 269 N 0.49 0.00 -0.53 1.67 3.38 -1.06 -1.99 115.31 117.27 2wh8 h LEU 269 Ca 0.50 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.30 2wh8 h LEU 269 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2wh8 h LEU 269 CO -0.22 0.27 -0.63 -0.07 0.09 0.00 0.00 178.44 177.87 2wh8 h LEU 270 N 0.00 0.43 0.24 1.67 3.38 0.52 -2.80 115.31 118.75 2wh8 h LEU 270 Ca -0.07 -0.26 -0.33 0.00 0.09 0.00 0.00 57.88 57.31 2wh8 h LEU 270 Cb 1.27 -0.13 0.03 0.00 0.09 0.00 0.00 40.66 41.93 2wh8 h LEU 270 CO 0.02 0.96 -1.45 0.44 0.09 0.00 0.00 178.44 178.50 2wh8 h ASP 271 N 0.28 0.79 -2.82 -0.43 3.32 -1.39 -3.42 116.42 112.75 2wh8 h ASP 271 Ca -0.01 -0.85 -0.60 0.00 0.02 0.00 0.00 57.03 55.59 2wh8 h ASP 271 Cb 1.17 -0.26 -0.39 0.00 0.22 0.00 0.00 39.33 40.07 2wh8 h ASP 271 CO 0.11 1.66 -0.82 -0.62 -1.72 0.00 0.00 179.24 177.85 2wh8 s ASP 272 N -7.52 2.86 0.11 6.45 2.15 -0.75 -4.97 116.67 115.00 2wh8 s ASP 272 Ca -0.08 -3.01 0.11 0.00 0.43 0.00 0.00 52.55 50.00 2wh8 s ASP 272 Cb 0.05 -0.82 0.52 0.00 -0.30 0.00 0.00 42.92 42.37 2wh8 s ASP 272 CO 0.94 -0.19 1.34 -2.65 -0.17 0.00 0.00 175.17 174.43 2wh8 n PRO 273 N 2.99 0.06 0.00 4.34 -0.02 -1.06 -0.79 135.00 140.52 2wh8 n PRO 273 Ca 0.20 0.47 0.14 0.00 -2.02 0.00 0.00 63.50 62.30 2wh8 n PRO 273 Cb 0.41 -1.65 0.63 0.00 -0.02 0.00 0.00 33.50 32.87 2wh8 n PRO 273 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wh8 n GLU 274 N -1.77 0.14 0.00 -0.52 4.71 -1.26 -1.84 120.64 120.10 2wh8 n GLU 274 Ca 0.01 -0.01 0.15 0.00 -0.01 0.00 0.00 57.16 57.30 2wh8 n GLU 274 Cb 0.07 -1.50 0.80 0.00 -1.01 0.00 0.00 31.44 29.80 2wh8 n GLU 274 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wh8 n GLY 275 N 1.43 -0.86 0.13 0.62 0.00 0.03 -4.08 105.19 102.47 2wh8 n GLY 275 Ca 0.09 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2wh8 n GLY 275 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wh8 h ILE 276 N 0.49 1.31 -0.89 -0.61 2.04 -1.55 -0.09 117.51 118.21 2wh8 h ILE 276 Ca 0.00 -1.10 0.18 0.00 1.00 0.00 0.00 64.86 64.94 2wh8 h ILE 276 Cb 0.18 1.68 -0.11 0.00 -0.74 0.00 0.00 36.82 37.83 2wh8 h ILE 276 CO 0.00 0.33 0.45 -0.65 0.00 0.00 0.00 178.15 178.27 2wh8 h PRO 277 N 0.03 0.55 -0.16 2.37 0.11 -1.80 0.34 132.00 133.43 2wh8 h PRO 277 Ca 0.04 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 2wh8 h PRO 277 Cb 0.54 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 2wh8 h PRO 277 CO 0.02 0.36 -0.39 -0.44 -0.21 0.00 0.00 178.00 177.34 2wh8 h ASP 278 N 0.56 0.38 -0.26 -2.05 3.32 -1.67 -2.78 116.42 113.93 2wh8 h ASP 278 Ca 0.51 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 57.30 2wh8 h ASP 278 Cb 0.84 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 2wh8 h ASP 278 CO -0.42 0.74 -0.17 0.00 -1.72 0.00 0.00 179.24 177.67 2wh8 h ALA 279 N 1.28 0.99 -0.95 3.45 0.00 0.89 -2.34 119.26 122.58 2wh8 h ALA 279 Ca 0.03 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.68 2wh8 h ALA 279 Cb 0.83 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 2wh8 h ALA 279 CO 0.07 0.60 0.61 0.28 0.00 0.00 0.00 179.25 180.81 2wh8 h VAL 280 N 0.63 1.04 -0.39 0.00 2.07 -0.74 -0.25 116.25 118.60 2wh8 h VAL 280 Ca 0.10 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 2wh8 h VAL 280 Cb 0.65 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2wh8 h VAL 280 CO 0.05 0.19 -0.26 -0.33 0.02 0.00 0.00 177.57 177.24 2wh8 h GLU 281 N 1.05 0.82 -0.66 1.57 4.39 -1.42 0.15 114.58 120.48 2wh8 h GLU 281 Ca 0.42 -0.36 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 2wh8 h GLU 281 Cb 0.26 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2wh8 h GLU 281 CO -0.17 0.99 0.21 1.49 -1.16 0.00 0.00 179.01 180.36 2wh8 h GLU 282 N 0.71 1.03 -0.47 2.33 4.57 -1.14 0.28 114.58 121.89 2wh8 h GLU 282 Ca 0.09 -0.22 -0.10 0.00 -1.18 0.00 0.00 59.36 57.94 2wh8 h GLU 282 Cb 0.80 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 2wh8 h GLU 282 CO 0.07 0.90 -0.12 -0.07 -1.18 0.00 0.00 179.01 178.61 2wh8 h LEU 283 N 0.96 0.86 -0.85 1.64 3.38 -0.87 -1.87 115.31 118.57 2wh8 h LEU 283 Ca 0.21 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2wh8 h LEU 283 Cb 0.30 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2wh8 h LEU 283 CO -0.01 1.00 0.10 -0.07 0.09 0.00 0.00 178.44 179.54 2wh8 h LEU 284 N 0.78 0.91 -0.19 1.67 3.38 -0.76 0.40 115.31 121.50 2wh8 h LEU 284 Ca 0.13 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2wh8 h LEU 284 Cb 0.63 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2wh8 h LEU 284 CO 0.04 0.91 0.10 -0.09 0.09 0.00 0.00 178.44 179.49 2wh8 h ARG 285 N 0.90 0.20 0.03 1.13 2.43 -0.55 -0.86 114.38 117.67 2wh8 h ARG 285 Ca 0.18 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 59.09 2wh8 h ARG 285 Cb 0.40 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2wh8 h ARG 285 CO 0.01 0.13 -1.28 -0.07 -1.51 0.00 0.00 179.97 177.25 2wh8 h LEU 286 N 0.21 0.10 0.20 3.80 3.38 -1.21 -3.32 115.31 118.46 2wh8 h LEU 286 Ca 0.08 -0.12 -0.31 0.00 0.09 0.00 0.00 57.88 57.61 2wh8 h LEU 286 Cb 0.01 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 40.75 2wh8 h LEU 286 CO -0.05 1.10 -1.42 0.71 0.09 0.00 0.00 178.44 178.87 2wh8 h THR 287 N 0.02 1.33 -6.71 0.22 1.35 -0.98 -3.48 112.91 104.65 2wh8 h THR 287 Ca -0.13 -2.83 -0.32 0.00 -0.55 0.00 0.00 66.41 62.58 2wh8 h THR 287 Cb 1.89 2.97 -0.01 0.00 -1.73 0.00 0.00 68.15 71.27 2wh8 h THR 287 CO 0.13 0.84 -0.61 -0.24 -0.25 0.00 0.00 175.52 175.40 2wh8 n SER 288 N -3.62 -2.50 -0.34 5.36 2.88 -0.33 -4.76 113.62 110.31 2wh8 n SER 288 Ca -0.14 -0.68 0.12 0.00 -1.33 0.00 0.00 58.87 56.84 2wh8 n SER 288 Cb 1.07 -0.91 0.30 0.00 -0.75 0.00 0.00 64.21 63.93 2wh8 n SER 288 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2wh8 h PRO 289 N -0.02 0.69 -6.23 -1.46 0.11 -1.83 -2.32 132.00 120.95 2wh8 h PRO 289 Ca -0.40 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.11 2wh8 h PRO 289 Cb 0.81 -0.16 -0.09 0.00 0.11 0.00 0.00 31.00 31.67 2wh8 h PRO 289 CO 0.26 0.46 1.23 0.08 -0.21 0.00 0.00 178.00 179.82 2wh8 s VAL 290 N -5.88 3.82 0.16 3.15 1.01 -1.26 -0.57 120.40 120.82 2wh8 s VAL 290 Ca -0.11 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.77 2wh8 s VAL 290 Cb 0.24 -4.97 -0.16 0.00 0.00 0.00 0.00 36.38 31.49 2wh8 s VAL 290 CO 0.80 -1.88 1.36 1.56 0.00 0.00 0.00 175.10 176.93 2wh8 h GLN 291 N 9.92 0.24 -2.52 2.72 1.08 -0.44 -3.38 115.11 122.73 2wh8 h GLN 291 Ca -0.08 -0.26 -0.06 0.00 -1.45 0.00 0.00 58.65 56.79 2wh8 h GLN 291 Cb 1.03 0.08 -0.17 0.00 -0.05 0.00 0.00 27.48 28.37 2wh8 h GLN 291 CO 1.34 0.99 0.07 0.20 -0.95 0.00 0.00 178.83 180.48 2wh8 s GLY 292 N -4.49 -0.47 0.02 3.46 0.00 -1.16 0.40 107.32 105.08 2wh8 s GLY 292 Ca -0.03 0.83 -0.06 0.00 0.00 0.00 0.00 44.72 45.45 2wh8 s GLY 292 CO 0.84 0.52 0.12 1.08 0.00 0.00 0.00 173.10 175.66 2wh8 s LEU 293 N -1.66 1.67 0.37 0.66 1.43 -0.99 -4.70 118.68 115.47 2wh8 s LEU 293 Ca -0.08 -0.39 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 2wh8 s LEU 293 Cb -0.01 0.66 -0.01 0.00 0.03 0.00 0.00 46.19 46.86 2wh8 s LEU 293 CO 0.03 -0.46 0.54 0.00 0.23 0.00 0.00 176.35 176.69 2wh8 s ALA 294 N -2.10 4.05 0.19 4.21 0.00 0.97 -0.32 121.76 128.76 2wh8 s ALA 294 Ca -0.09 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.57 2wh8 s ALA 294 Cb -0.04 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 2wh8 s ALA 294 CO -0.02 -0.16 0.07 1.03 0.00 0.00 0.00 175.76 176.69 2wh8 s ARG 295 N -4.31 1.17 -0.16 0.00 1.81 0.02 -4.48 118.95 113.00 2wh8 s ARG 295 Ca 0.46 -1.60 0.02 0.00 -1.72 0.00 0.00 55.73 52.89 2wh8 s ARG 295 Cb -0.10 -0.03 0.01 0.00 -0.45 0.00 0.00 34.95 34.39 2wh8 s ARG 295 CO 0.34 -0.27 -0.20 0.99 -0.68 0.00 0.00 175.30 175.48 2wh8 s THR 296 N -3.89 2.14 0.32 0.02 2.01 0.14 -0.00 115.64 116.38 2wh8 s THR 296 Ca 0.31 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 61.09 2wh8 s THR 296 Cb 0.07 -1.88 -0.11 0.00 0.01 0.00 0.00 72.50 70.59 2wh8 s THR 296 CO 0.08 0.54 1.53 0.42 -0.69 0.00 0.00 174.62 176.50 2wh8 s THR 297 N 1.03 2.12 -1.41 -0.82 -4.23 -0.43 -1.40 115.64 110.50 2wh8 s THR 297 Ca -0.02 0.11 0.18 0.00 -1.18 0.00 0.00 61.69 60.79 2wh8 s THR 297 Cb -0.14 -3.07 -0.07 0.00 1.34 0.00 0.00 72.50 70.56 2wh8 s THR 297 CO -0.07 0.02 0.88 0.35 -0.54 0.00 0.00 174.62 175.27 2wh8 n THR 298 N 1.46 0.00 -3.86 3.99 -2.24 -0.37 -0.92 114.28 112.35 2wh8 n THR 298 Ca 0.05 -0.23 -0.07 0.00 -2.27 0.00 0.00 64.05 61.53 2wh8 n THR 298 Cb 0.38 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.74 2wh8 n THR 298 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wh8 s ARG 299 N -2.31 1.75 0.24 -0.78 1.70 -1.26 -4.82 118.95 113.47 2wh8 s ARG 299 Ca 0.12 -1.01 -0.31 0.00 -0.47 0.00 0.00 55.73 54.07 2wh8 s ARG 299 Cb 0.14 0.59 -0.14 0.00 -0.57 0.00 0.00 34.95 34.98 2wh8 s ARG 299 CO 0.56 -0.79 1.33 -0.25 -1.08 0.00 0.00 175.30 175.06 2wh8 n ASP 300 N -0.45 2.40 -3.86 -2.89 9.92 -1.26 -3.65 116.55 116.76 2wh8 n ASP 300 Ca -0.04 1.15 -0.13 0.00 -0.53 0.00 0.00 54.79 55.24 2wh8 n ASP 300 Cb 0.59 -1.38 -0.14 0.00 -0.64 0.00 0.00 41.12 39.55 2wh8 n ASP 300 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2wh8 s VAL 301 N -0.21 0.04 -0.26 2.53 0.11 -0.03 -4.87 120.40 117.71 2wh8 s VAL 301 Ca 0.68 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.70 2wh8 s VAL 301 Cb -0.69 -0.06 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 2wh8 s VAL 301 CO 0.52 0.03 0.01 -0.89 -3.33 0.00 0.00 175.10 171.43 2wh8 s THR 302 N 0.20 3.53 -0.23 5.04 2.01 -1.26 0.52 115.64 125.46 2wh8 s THR 302 Ca -0.02 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 2wh8 s THR 302 Cb -0.03 -2.75 -0.00 0.00 0.01 0.00 0.00 72.50 69.73 2wh8 s THR 302 CO -0.01 0.22 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.46 2wh8 s ILE 303 N 1.45 3.26 0.00 1.82 1.01 0.10 -4.94 121.20 123.90 2wh8 s ILE 303 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2wh8 s ILE 303 Cb -0.16 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.80 2wh8 s ILE 303 CO -0.01 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.93 2wh8 n GLY 304 N 4.77 1.11 0.81 6.18 0.00 -1.26 -1.79 105.19 115.02 2wh8 n GLY 304 Ca -0.18 0.39 0.05 0.00 0.00 0.00 0.00 46.02 46.28 2wh8 n GLY 304 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wh8 n ASP 305 N 10.69 1.38 -4.32 1.61 5.68 -1.26 -5.00 116.55 125.34 2wh8 n ASP 305 Ca 0.00 -2.95 -0.32 0.00 -0.50 0.00 0.00 54.79 51.02 2wh8 n ASP 305 Cb 0.00 -0.40 -0.16 0.00 -1.14 0.00 0.00 41.12 39.42 2wh8 n ASP 305 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2wh8 s THR 306 N -1.77 2.42 -0.35 2.12 2.01 -0.74 -5.11 115.64 114.22 2wh8 s THR 306 Ca 0.32 -0.92 -0.11 0.00 0.31 0.00 0.00 61.69 61.29 2wh8 s THR 306 Cb 0.32 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.92 2wh8 s THR 306 CO -0.08 0.56 0.19 -0.89 -0.69 0.00 0.00 174.62 173.71 2wh8 s THR 307 N -0.09 4.62 -0.09 -0.82 2.01 -1.26 -0.72 115.64 119.29 2wh8 s THR 307 Ca -0.05 -0.69 -0.27 0.00 0.31 0.00 0.00 61.69 61.00 2wh8 s THR 307 Cb -0.14 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 2wh8 s THR 307 CO 0.04 -0.13 0.86 -0.63 -0.69 0.00 0.00 174.62 174.07 2wh8 s ILE 308 N 1.58 4.91 0.57 1.82 1.01 0.18 -4.91 121.20 126.37 2wh8 s ILE 308 Ca 0.03 1.75 -0.18 0.00 0.00 0.00 0.00 60.65 62.25 2wh8 s ILE 308 Cb -0.18 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 2wh8 s ILE 308 CO 0.07 0.12 1.12 -2.84 0.00 0.00 0.00 174.94 173.41 2wh8 s PRO 309 N 1.44 3.22 0.17 2.79 0.02 -1.26 -0.85 135.00 140.53 2wh8 s PRO 309 Ca 0.43 1.56 -0.33 0.00 0.02 0.00 0.00 61.00 62.68 2wh8 s PRO 309 Cb -0.18 -1.99 -0.16 0.00 0.02 0.00 0.00 34.50 32.18 2wh8 s PRO 309 CO 0.19 -0.94 1.10 0.00 -0.33 0.00 0.00 177.00 177.01 2wh8 n ALA 310 N -1.57 -1.15 -0.51 -1.55 0.00 -1.24 -3.33 120.51 111.16 2wh8 n ALA 310 Ca 0.11 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2wh8 n ALA 310 Cb 0.51 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 17.99 2wh8 n ALA 310 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh8 n GLY 311 N 1.93 0.75 3.77 0.00 0.00 -0.09 -4.91 105.19 106.63 2wh8 n GLY 311 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2wh8 n GLY 311 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh8 s ARG 312 N -0.49 2.91 0.38 1.61 1.81 -1.21 -4.85 118.95 119.11 2wh8 s ARG 312 Ca 0.00 -0.64 -0.25 0.00 -1.72 0.00 0.00 55.73 53.12 2wh8 s ARG 312 Cb 0.00 -2.75 -0.09 0.00 -0.45 0.00 0.00 34.95 31.66 2wh8 s ARG 312 CO 0.00 0.59 1.08 1.03 -0.68 0.00 0.00 175.30 177.32 2wh8 s ARG 313 N -2.17 4.21 -0.13 3.54 1.81 -1.26 -1.32 118.95 123.64 2wh8 s ARG 313 Ca 0.27 1.63 -0.01 0.00 -1.72 0.00 0.00 55.73 55.90 2wh8 s ARG 313 Cb -0.12 -2.68 0.03 0.00 -0.45 0.00 0.00 34.95 31.73 2wh8 s ARG 313 CO 0.19 -0.12 -0.06 0.08 -0.68 0.00 0.00 175.30 174.70 2wh8 s VAL 314 N -1.52 1.01 -0.29 3.52 1.01 1.00 -1.50 120.40 123.63 2wh8 s VAL 314 Ca 0.55 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.89 2wh8 s VAL 314 Cb -0.26 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.05 2wh8 s VAL 314 CO 0.32 0.29 1.04 -0.22 0.00 0.00 0.00 175.10 176.53 2wh8 s LEU 315 N 1.70 3.99 -0.58 3.92 2.96 0.35 -0.80 118.68 130.23 2wh8 s LEU 315 Ca 0.04 1.10 -0.21 0.00 -0.22 0.00 0.00 54.13 54.84 2wh8 s LEU 315 Cb -0.13 -3.50 0.07 0.00 0.50 0.00 0.00 46.19 43.13 2wh8 s LEU 315 CO -0.08 -0.80 0.81 -0.76 -1.32 0.00 0.00 176.35 174.20 2wh8 s LEU 316 N 3.46 4.68 -1.33 -0.68 1.43 0.56 -0.98 118.68 125.82 2wh8 s LEU 316 Ca 0.44 -0.90 -0.17 0.00 -1.03 0.00 0.00 54.13 52.46 2wh8 s LEU 316 Cb -0.13 -2.50 0.05 0.00 0.03 0.00 0.00 46.19 43.64 2wh8 s LEU 316 CO 0.12 -1.17 1.89 0.18 0.23 0.00 0.00 176.35 177.61 2wh8 n LEU 317 N 6.94 5.39 -0.32 1.79 4.77 -0.61 -2.35 117.00 132.60 2wh8 n LEU 317 Ca -0.04 -3.93 0.14 0.00 -0.03 0.00 0.00 56.01 52.15 2wh8 n LEU 317 Cb 0.45 -1.71 0.33 0.00 -2.33 0.00 0.00 43.42 40.16 2wh8 n LEU 317 CO 0.60 0.33 1.10 1.88 -1.33 0.00 0.00 177.39 179.97 2wh8 h TYR 318 N 7.22 0.82 0.00 -1.77 0.05 -1.38 -0.28 116.97 121.62 2wh8 h TYR 318 Ca 0.47 0.04 -0.03 0.00 0.05 0.00 0.00 58.73 59.26 2wh8 h TYR 318 Cb 0.80 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 38.33 2wh8 h TYR 318 CO 1.43 0.02 -0.14 0.78 -1.05 0.00 0.00 178.16 179.20 2wh8 h GLY 319 N 0.50 0.00 0.62 3.88 0.00 -0.24 -0.82 103.07 107.01 2wh8 h GLY 319 Ca 0.59 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.60 2wh8 h GLY 319 CO -0.49 0.00 -1.65 0.23 0.00 0.00 0.00 176.54 174.63 2wh8 h SER 320 N 0.00 0.42 -0.73 0.19 0.87 -1.34 -3.27 113.55 109.70 2wh8 h SER 320 Ca -0.00 -0.88 0.14 0.00 -1.23 0.00 0.00 61.79 59.82 2wh8 h SER 320 Cb 0.38 -0.14 -0.09 0.00 -0.44 0.00 0.00 62.40 62.11 2wh8 h SER 320 CO 0.02 1.72 0.26 0.00 -0.53 0.00 0.00 176.83 178.30 2wh8 h ALA 321 N -0.01 0.99 0.00 6.23 0.00 -0.87 0.50 119.26 126.10 2wh8 h ALA 321 Ca -0.35 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wh8 h ALA 321 Cb 1.89 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2wh8 h ALA 321 CO 0.08 -0.24 0.00 -0.91 0.00 0.00 0.00 179.25 178.18 2wh8 h ASN 322 N 0.40 0.00 -0.20 0.00 2.35 -1.26 -2.29 115.58 114.58 2wh8 h ASN 322 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 2wh8 h ASN 322 Cb 0.61 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2wh8 h ASN 322 CO -0.41 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 175.91 2wh8 n ARG 323 N -2.51 1.79 -1.60 0.81 1.74 -0.03 -4.84 116.66 112.02 2wh8 n ARG 323 Ca 0.01 -1.66 -0.43 0.00 -0.77 0.00 0.00 57.85 55.00 2wh8 n ARG 323 Cb 0.21 -1.25 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 2wh8 n ARG 323 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2wh8 n ASP 324 N 0.61 3.32 -0.05 0.55 -0.08 -0.08 -4.67 116.55 116.15 2wh8 n ASP 324 Ca 0.10 0.26 0.21 0.00 -1.51 0.00 0.00 54.79 53.84 2wh8 n ASP 324 Cb 0.37 -1.55 0.67 0.00 2.34 0.00 0.00 41.12 42.94 2wh8 n ASP 324 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2wh8 h GLU 325 N 14.73 0.06 0.00 -0.67 3.07 -1.89 0.65 114.58 130.53 2wh8 h GLU 325 Ca -0.42 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.42 2wh8 h GLU 325 Cb 1.24 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.13 2wh8 h GLU 325 CO 0.96 0.04 -0.12 0.00 -1.40 0.00 0.00 179.01 178.49 2wh8 h ARG 326 N 0.06 0.00 0.00 2.33 3.08 -1.88 0.69 114.38 118.66 2wh8 h ARG 326 Ca 0.29 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.01 2wh8 h ARG 326 Cb 1.08 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.07 2wh8 h ARG 326 CO -0.02 0.12 -2.27 0.94 -1.07 0.00 0.00 179.97 177.67 2wh8 n GLN 327 N -3.37 0.82 -0.01 0.04 -0.06 0.37 -4.67 117.38 110.50 2wh8 n GLN 327 Ca -0.01 0.06 0.04 0.00 -2.00 0.00 0.00 57.00 55.10 2wh8 n GLN 327 Cb 0.31 -1.46 0.04 0.00 -4.06 0.00 0.00 30.24 25.08 2wh8 n GLN 327 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 2wh8 n TYR 328 N -2.92 0.04 0.00 3.69 4.02 0.20 -4.97 117.16 117.21 2wh8 n TYR 328 Ca -0.35 -0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.49 2wh8 n TYR 328 Cb 1.01 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.32 2wh8 n TYR 328 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wh8 n GLY 329 N 0.47 0.24 0.29 2.72 0.00 0.24 -4.03 105.19 105.12 2wh8 n GLY 329 Ca 0.05 -1.84 0.17 0.00 0.00 0.00 0.00 46.02 44.41 2wh8 n GLY 329 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wh8 h PRO 330 N 0.00 0.00 -0.84 1.61 0.11 -1.96 -1.54 132.00 129.38 2wh8 h PRO 330 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wh8 h PRO 330 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wh8 h PRO 330 CO 0.00 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 177.43 2wh8 n ASP 331 N -3.28 2.60 0.27 -2.05 5.75 -1.26 -4.48 116.55 114.11 2wh8 n ASP 331 Ca -0.01 -2.31 0.17 0.00 -0.01 0.00 0.00 54.79 52.63 2wh8 n ASP 331 Cb 0.21 -0.55 0.71 0.00 -1.03 0.00 0.00 41.12 40.46 2wh8 n ASP 331 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wh8 h ALA 332 N 2.72 1.00 0.00 2.12 0.00 -1.41 -1.75 119.26 121.93 2wh8 h ALA 332 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wh8 h ALA 332 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2wh8 h ALA 332 CO 0.17 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.42 2wh8 n ALA 333 N -2.07 1.64 -2.55 0.00 0.00 -1.26 -4.83 120.51 111.43 2wh8 n ALA 333 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 2wh8 n ALA 333 Cb 0.29 -1.31 -0.11 0.00 0.00 0.00 0.00 19.45 18.32 2wh8 n ALA 333 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wh8 s GLU 334 N -3.17 2.23 -0.03 0.00 2.02 -0.66 -5.08 118.70 114.01 2wh8 s GLU 334 Ca 0.05 -0.93 -0.30 0.00 0.02 0.00 0.00 54.97 53.81 2wh8 s GLU 334 Cb 0.09 -2.33 -0.06 0.00 0.10 0.00 0.00 34.13 31.93 2wh8 s GLU 334 CO 0.32 0.54 1.61 -1.17 0.02 0.00 0.00 175.26 176.58 2wh8 s LEU 335 N -1.81 4.33 -0.27 1.80 2.96 -1.26 -4.98 118.68 119.45 2wh8 s LEU 335 Ca 0.19 2.25 -0.03 0.00 -0.22 0.00 0.00 54.13 56.31 2wh8 s LEU 335 Cb -0.11 -3.54 0.09 0.00 0.50 0.00 0.00 46.19 43.13 2wh8 s LEU 335 CO 0.10 -0.88 0.11 -0.62 -1.32 0.00 0.00 176.35 173.74 2wh8 s ASP 336 N 2.91 3.42 0.00 3.68 2.15 -1.26 -4.99 116.67 122.58 2wh8 s ASP 336 Ca 0.72 -1.22 0.16 0.00 0.43 0.00 0.00 52.55 52.63 2wh8 s ASP 336 Cb -0.34 -0.46 0.85 0.00 -0.30 0.00 0.00 42.92 42.68 2wh8 s ASP 336 CO 0.29 -0.41 1.44 1.33 -0.17 0.00 0.00 175.17 177.65 2wh8 n VAL 337 N 5.16 0.41 0.39 1.11 0.24 -1.26 -0.82 118.33 123.56 2wh8 n VAL 337 Ca -0.06 0.10 0.09 0.00 -2.04 0.00 0.00 64.34 62.43 2wh8 n VAL 337 Cb 0.43 -0.84 0.12 0.00 -1.47 0.00 0.00 33.84 32.09 2wh8 n VAL 337 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2wh8 n THR 338 N -1.21 0.33 -0.21 3.34 -2.24 -1.26 -4.04 114.28 108.99 2wh8 n THR 338 Ca 0.09 -0.66 0.02 0.00 -2.27 0.00 0.00 64.05 61.22 2wh8 n THR 338 Cb 0.11 1.07 0.12 0.00 -2.10 0.00 0.00 70.33 69.54 2wh8 n THR 338 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2wh8 h ARG 339 N 3.27 0.19 -5.83 -0.78 2.43 -1.35 -3.47 114.38 108.84 2wh8 h ARG 339 Ca 0.00 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 2wh8 h ARG 339 Cb 0.76 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.28 2wh8 h ARG 339 CO 0.00 0.12 -0.43 0.00 -1.51 0.00 0.00 179.97 178.16 2wh8 s PRO 341 N -3.87 2.55 -0.16 0.00 0.04 -1.26 -4.98 135.00 127.33 2wh8 s PRO 341 Ca 0.07 1.38 -0.08 0.00 0.04 0.00 0.00 61.00 62.40 2wh8 s PRO 341 Cb -0.02 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2wh8 s PRO 341 CO 0.80 -1.44 0.12 1.03 0.04 0.00 0.00 177.00 177.54 2wh8 s ARG 342 N -4.28 3.76 -1.16 4.56 0.52 -1.26 -4.63 118.95 116.45 2wh8 s ARG 342 Ca 0.66 -0.21 -0.02 0.00 -0.52 0.00 0.00 55.73 55.64 2wh8 s ARG 342 Cb -0.21 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.02 2wh8 s ARG 342 CO 0.46 0.53 0.98 0.09 0.02 0.00 0.00 175.30 177.37 2wh8 n ASN 343 N 2.77 -3.16 -4.73 0.23 3.02 -1.26 -4.93 115.26 107.20 2wh8 n ASN 343 Ca -0.18 -0.56 -0.33 0.00 -0.03 0.00 0.00 54.58 53.48 2wh8 n ASN 343 Cb 0.53 -4.78 0.09 0.00 -0.61 0.00 0.00 39.78 35.01 2wh8 n ASN 343 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2wh8 s ILE 344 N -3.32 2.57 -1.23 2.41 -4.36 -1.26 -4.94 121.20 111.06 2wh8 s ILE 344 Ca 0.15 0.25 0.15 0.00 -0.26 0.00 0.00 60.65 60.95 2wh8 s ILE 344 Cb -0.07 -2.73 0.45 0.00 1.25 0.00 0.00 42.46 41.37 2wh8 s ILE 344 CO 0.68 -0.17 1.38 0.18 0.24 0.00 0.00 174.94 177.24 2wh8 n LEU 345 N -2.92 3.42 -0.12 0.37 4.77 -1.26 -4.67 117.00 116.59 2wh8 n LEU 345 Ca 0.12 -2.08 0.01 0.00 -0.03 0.00 0.00 56.01 54.03 2wh8 n LEU 345 Cb 0.51 -0.35 0.29 0.00 -2.33 0.00 0.00 43.42 41.54 2wh8 n LEU 345 CO 0.48 0.82 1.14 0.74 -1.33 0.00 0.00 177.39 179.24 2wh8 h THR 346 N 2.87 1.18 -0.52 -5.08 2.02 -1.88 -1.05 112.91 110.45 2wh8 h THR 346 Ca 0.00 -0.44 -0.08 0.00 0.77 0.00 0.00 66.41 66.67 2wh8 h THR 346 Cb 0.90 0.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.65 2wh8 h THR 346 CO 0.03 0.19 0.08 0.49 0.37 0.00 0.00 175.52 176.68 2wh8 n PHE 347 N -4.39 1.79 -4.86 3.16 3.72 -1.26 -4.69 117.46 110.92 2wh8 n PHE 347 Ca 0.05 -0.98 0.00 0.00 -0.05 0.00 0.00 57.45 56.47 2wh8 n PHE 347 Cb 0.10 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 2wh8 n PHE 347 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2wh8 n SER 348 N -0.08 -3.10 -3.63 4.37 2.88 -0.40 -1.36 113.62 112.29 2wh8 n SER 348 Ca 0.30 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.70 2wh8 n SER 348 Cb 1.16 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.54 2wh8 n SER 348 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2wh8 s HIS 349 N 0.00 -0.74 0.00 0.66 2.46 -1.26 -4.77 115.29 111.64 2wh8 s HIS 349 Ca 0.00 1.77 0.00 0.00 0.47 0.00 0.00 55.06 57.30 2wh8 s HIS 349 Cb 0.00 0.27 0.00 0.00 -0.13 0.00 0.00 32.58 32.72 2wh8 s HIS 349 CO 0.00 -0.38 0.00 0.41 -2.47 0.00 0.00 174.74 172.30 2wh8 n GLY 350 N 2.58 -0.02 0.34 1.59 0.00 -1.26 -3.69 105.19 104.72 2wh8 n GLY 350 Ca -0.14 -1.81 0.16 0.00 0.00 0.00 0.00 46.02 44.22 2wh8 n GLY 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh8 h ALA 351 N 0.00 1.69 -0.51 4.61 0.00 -1.84 -1.87 119.26 121.34 2wh8 h ALA 351 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wh8 h ALA 351 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2wh8 h ALA 351 CO 0.00 -0.28 0.00 0.72 0.00 0.00 0.00 179.25 179.69 2wh8 n HIS 352 N -4.92 0.67 -1.45 0.00 -0.00 -1.26 -5.00 115.22 103.26 2wh8 n HIS 352 Ca 0.25 -0.34 -0.57 0.00 -0.00 0.00 0.00 57.72 57.07 2wh8 n HIS 352 Cb 0.71 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.62 2wh8 n HIS 352 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2wh8 n HIS 353 N 1.43 0.97 -1.69 4.41 -0.00 -0.71 -4.60 115.22 115.04 2wh8 n HIS 353 Ca 0.21 0.99 -0.59 0.00 -0.00 0.00 0.00 57.72 58.33 2wh8 n HIS 353 Cb 0.58 -1.94 -0.08 0.00 -0.00 0.00 0.00 29.99 28.55 2wh8 n HIS 353 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wh8 h LEU 355 N 6.10 0.00 -1.20 0.00 3.38 -1.93 -2.89 115.31 118.77 2wh8 h LEU 355 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2wh8 h LEU 355 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2wh8 h LEU 355 CO 0.92 0.19 0.00 0.61 0.09 0.00 0.00 178.44 180.24 2wh8 n GLY 356 N 0.08 0.51 0.30 0.83 0.00 -1.26 -4.52 105.19 101.13 2wh8 n GLY 356 Ca 0.00 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.75 2wh8 n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh8 h ALA 357 N 3.68 1.24 -0.13 4.61 0.00 -1.89 0.67 119.26 127.44 2wh8 h ALA 357 Ca 0.00 0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 2wh8 h ALA 357 Cb 0.45 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2wh8 h ALA 357 CO 0.00 -0.31 -0.70 0.00 0.00 0.00 0.00 179.25 178.25 2wh8 h ALA 358 N 1.66 0.53 -0.59 0.00 0.00 -1.87 -1.07 119.26 117.92 2wh8 h ALA 358 Ca 0.50 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2wh8 h ALA 358 Cb 0.89 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2wh8 h ALA 358 CO -0.50 0.72 0.20 0.00 0.00 0.00 0.00 179.25 179.67 2wh8 h ALA 359 N 0.83 0.77 -0.16 0.00 0.00 -1.63 0.48 119.26 119.55 2wh8 h ALA 359 Ca -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2wh8 h ALA 359 Cb 1.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2wh8 h ALA 359 CO 0.13 0.42 0.01 0.00 0.00 0.00 0.00 179.25 179.81 2wh8 h ALA 360 N 1.06 0.21 -0.67 0.00 0.00 -0.84 -1.95 119.26 117.06 2wh8 h ALA 360 Ca 0.19 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2wh8 h ALA 360 Cb 0.26 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2wh8 h ALA 360 CO -0.01 -0.11 0.31 0.00 0.00 0.00 0.00 179.25 179.44 2wh8 h ARG 361 N 0.03 0.51 -0.43 0.00 3.08 -1.04 -1.55 114.38 114.98 2wh8 h ARG 361 Ca 0.05 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2wh8 h ARG 361 Cb 0.34 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2wh8 h ARG 361 CO 0.01 0.34 0.22 1.98 -1.07 0.00 0.00 179.97 181.45 2wh8 h MET 362 N 0.53 0.62 -0.58 0.04 4.05 -0.78 0.44 114.93 119.25 2wh8 h MET 362 Ca 0.34 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.67 2wh8 h MET 362 Cb 0.38 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.04 2wh8 h MET 362 CO -0.28 0.51 0.34 1.96 0.23 0.00 0.00 176.91 179.67 2wh8 h GLN 363 N 0.56 0.79 -0.18 0.39 4.20 -0.87 -0.77 115.11 119.23 2wh8 h GLN 363 Ca 0.15 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.81 2wh8 h GLN 363 Cb 0.09 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2wh8 h GLN 363 CO -0.02 0.57 0.03 0.00 -0.67 0.00 0.00 178.83 178.74 2wh8 h ARG 365 N 0.09 0.51 -0.19 0.00 2.43 -0.49 0.12 114.38 116.85 2wh8 h ARG 365 Ca 0.08 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2wh8 h ARG 365 Cb 0.08 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2wh8 h ARG 365 CO -0.12 0.41 0.08 0.28 -1.51 0.00 0.00 179.97 179.10 2wh8 h VAL 366 N 0.47 1.16 -0.07 0.20 2.07 -1.08 -1.06 116.25 117.95 2wh8 h VAL 366 Ca 0.13 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.18 2wh8 h VAL 366 Cb 0.04 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2wh8 h VAL 366 CO -0.02 0.16 -0.02 0.00 0.02 0.00 0.00 177.57 177.71 2wh8 h ALA 367 N 0.92 0.04 -0.57 1.67 0.00 -1.06 -1.10 119.26 119.17 2wh8 h ALA 367 Ca 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2wh8 h ALA 367 Cb 0.17 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2wh8 h ALA 367 CO -0.01 -0.49 0.19 1.25 0.00 0.00 0.00 179.25 180.20 2wh8 h LEU 368 N -0.00 0.81 -0.24 0.00 5.85 -0.66 0.97 115.31 122.04 2wh8 h LEU 368 Ca 0.03 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.58 2wh8 h LEU 368 Cb 0.05 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2wh8 h LEU 368 CO -0.07 0.79 0.07 0.74 -0.34 0.00 0.00 178.44 179.63 2wh8 h THR 369 N 0.79 0.92 -0.04 1.05 2.02 -1.02 -1.88 112.91 114.75 2wh8 h THR 369 Ca 0.19 -0.06 -0.18 0.00 0.77 0.00 0.00 66.41 67.12 2wh8 h THR 369 Cb 0.26 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2wh8 h THR 369 CO -0.01 0.03 -0.77 -0.33 0.37 0.00 0.00 175.52 174.81 2wh8 h GLU 370 N 0.17 0.30 -0.29 6.66 4.39 -0.97 -0.95 114.58 123.89 2wh8 h GLU 370 Ca 0.11 -0.27 0.03 0.00 0.34 0.00 0.00 59.36 59.57 2wh8 h GLU 370 Cb 0.09 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 2wh8 h GLU 370 CO -0.12 0.93 0.10 1.25 -1.16 0.00 0.00 179.01 180.01 2wh8 h LEU 371 N 0.19 0.10 -0.57 1.33 5.85 -0.68 0.43 115.31 121.96 2wh8 h LEU 371 Ca -0.03 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 2wh8 h LEU 371 Cb 1.35 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 2wh8 h LEU 371 CO 0.12 0.09 -0.52 -0.07 -0.34 0.00 0.00 178.44 177.72 2wh8 h LEU 372 N 0.22 0.58 -0.68 2.25 3.38 -1.19 0.58 115.31 120.45 2wh8 h LEU 372 Ca 0.13 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 2wh8 h LEU 372 Cb 0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2wh8 h LEU 372 CO -0.14 0.99 -0.07 0.00 0.09 0.00 0.00 178.44 179.31 2wh8 h ALA 373 N 1.02 0.88 0.00 1.53 0.00 -0.90 -3.33 119.26 118.45 2wh8 h ALA 373 Ca 0.01 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 2wh8 h ALA 373 Cb 1.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2wh8 h ALA 373 CO 0.10 0.65 -1.52 0.54 0.00 0.00 0.00 179.25 179.01 2wh8 n ARG 374 N -4.16 1.99 -2.55 0.00 1.74 0.12 -4.74 116.66 109.05 2wh8 n ARG 374 Ca 0.02 0.01 -0.19 0.00 -0.77 0.00 0.00 57.85 56.92 2wh8 n ARG 374 Cb 0.37 -1.19 0.01 0.00 -1.02 0.00 0.00 32.46 30.63 2wh8 n ARG 374 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wh8 h PRO 376 N 2.75 0.83 -5.13 0.00 0.13 -1.62 -3.34 132.00 125.62 2wh8 h PRO 376 Ca 0.13 -0.25 -0.67 0.00 -0.87 0.00 0.00 66.00 64.35 2wh8 h PRO 376 Cb 1.03 -0.08 -0.17 0.00 0.13 0.00 0.00 31.00 31.91 2wh8 h PRO 376 CO 0.70 0.86 0.54 -0.51 -0.23 0.00 0.00 178.00 179.36 2wh8 s ASP 377 N -6.65 6.33 0.03 1.44 1.11 -1.26 -4.99 116.67 112.67 2wh8 s ASP 377 Ca -0.10 -1.44 -0.03 0.00 0.18 0.00 0.00 52.55 51.17 2wh8 s ASP 377 Cb 0.14 -2.39 -0.02 0.00 1.07 0.00 0.00 42.92 41.73 2wh8 s ASP 377 CO 0.82 -1.25 0.03 0.72 1.18 0.00 0.00 175.17 176.68 2wh8 s PHE 378 N 3.30 0.27 0.06 4.23 -0.71 -1.26 -4.58 117.98 119.29 2wh8 s PHE 378 Ca 0.23 -0.59 0.05 0.00 -1.04 0.00 0.00 56.93 55.59 2wh8 s PHE 378 Cb -0.15 -0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 41.44 2wh8 s PHE 378 CO 0.03 -0.30 -0.15 -1.21 -1.34 0.00 0.00 175.22 172.25 2wh8 s GLU 379 N -2.33 0.91 0.00 1.99 2.02 0.86 -4.96 118.70 117.19 2wh8 s GLU 379 Ca -0.08 -0.91 0.01 0.00 0.02 0.00 0.00 54.97 54.01 2wh8 s GLU 379 Cb -0.03 -0.95 -0.01 0.00 0.10 0.00 0.00 34.13 33.24 2wh8 s GLU 379 CO -0.04 0.22 -0.04 0.08 0.02 0.00 0.00 175.26 175.51 2wh8 s VAL 380 N -1.10 0.27 -0.29 2.63 1.01 -1.26 -1.51 120.40 120.14 2wh8 s VAL 380 Ca 0.00 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 2wh8 s VAL 380 Cb -0.09 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.04 2wh8 s VAL 380 CO 0.02 -0.02 0.05 0.00 0.00 0.00 0.00 175.10 175.15 2wh8 s ALA 381 N -0.32 2.98 0.24 5.51 0.00 -1.26 -4.98 121.76 123.93 2wh8 s ALA 381 Ca -0.01 -1.48 -0.05 0.00 0.00 0.00 0.00 51.96 50.41 2wh8 s ALA 381 Cb -0.03 -2.06 0.42 0.00 0.00 0.00 0.00 23.12 21.45 2wh8 s ALA 381 CO -0.00 -0.94 1.74 0.93 0.00 0.00 0.00 175.76 177.49 2wh8 h GLU 382 N 8.18 0.46 -0.90 0.00 5.08 -1.97 -0.96 114.58 124.46 2wh8 h GLU 382 Ca -0.31 -0.03 0.26 0.00 -1.00 0.00 0.00 59.36 58.29 2wh8 h GLU 382 Cb 1.12 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 2wh8 h GLU 382 CO 0.60 0.30 0.71 1.03 -1.00 0.00 0.00 179.01 180.65 2wh8 h SER 383 N 0.47 0.00 -0.14 1.42 0.87 -2.03 -0.85 113.55 113.29 2wh8 h SER 383 Ca 0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2wh8 h SER 383 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2wh8 h SER 383 CO -0.37 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.47 2wh8 n ARG 384 N -4.06 2.07 -2.39 2.24 1.74 -0.37 -4.94 116.66 110.94 2wh8 n ARG 384 Ca 0.19 -1.90 -0.41 0.00 -0.77 0.00 0.00 57.85 54.96 2wh8 n ARG 384 Cb 1.02 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 31.01 2wh8 n ARG 384 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wh8 s ILE 385 N -1.61 3.63 -0.16 0.55 1.01 -0.33 -4.64 121.20 119.66 2wh8 s ILE 385 Ca 0.28 1.37 -0.03 0.00 0.00 0.00 0.00 60.65 62.27 2wh8 s ILE 385 Cb 0.18 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 2wh8 s ILE 385 CO 0.27 0.21 -0.07 -0.69 0.00 0.00 0.00 174.94 174.66 2wh8 s VAL 386 N -0.01 3.50 0.02 2.92 1.01 -0.94 -4.99 120.40 121.91 2wh8 s VAL 386 Ca 0.53 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 2wh8 s VAL 386 Cb -0.32 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 2wh8 s VAL 386 CO 0.36 0.49 0.30 0.26 0.00 0.00 0.00 175.10 176.51 2wh8 s TRP 387 N 0.62 3.59 0.54 5.22 0.52 -1.26 0.50 118.94 128.67 2wh8 s TRP 387 Ca -0.04 0.65 -0.21 0.00 0.02 0.00 0.00 56.10 56.52 2wh8 s TRP 387 Cb -0.15 -2.04 -0.05 0.00 -1.15 0.00 0.00 33.47 30.08 2wh8 s TRP 387 CO 0.03 0.60 1.22 0.45 0.02 0.00 0.00 176.95 179.26 2wh8 s SER 388 N -1.66 5.54 0.98 2.95 0.15 -0.50 -4.70 113.70 116.45 2wh8 s SER 388 Ca 0.28 2.43 -0.12 0.00 0.70 0.00 0.00 55.95 59.24 2wh8 s SER 388 Cb -0.13 -2.61 0.18 0.00 -1.71 0.00 0.00 66.02 61.75 2wh8 s SER 388 CO 0.16 -1.36 1.09 -0.83 1.20 0.00 0.00 173.24 173.50 2wh8 s GLY 389 N -1.40 1.57 0.00 9.45 0.00 -1.26 -4.09 107.32 111.59 2wh8 s GLY 389 Ca 0.72 -0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.12 2wh8 s GLY 389 CO 0.36 0.27 0.00 0.61 0.00 0.00 0.00 173.10 174.34 2wh8 n GLY 390 N -1.12 3.24 0.50 0.20 0.00 -1.26 -4.91 105.19 101.83 2wh8 n GLY 390 Ca 0.05 -1.44 0.13 0.00 0.00 0.00 0.00 46.02 44.77 2wh8 n GLY 390 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wh8 n SER 391 N 0.00 1.54 -0.04 1.61 7.64 -1.26 -4.42 113.62 118.68 2wh8 n SER 391 Ca 0.00 -1.54 -0.06 0.00 1.01 0.00 0.00 58.87 58.28 2wh8 n SER 391 Cb 0.00 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.14 2wh8 n SER 391 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2wh8 n TYR 392 N 0.21 0.00 -4.49 1.43 4.01 -1.26 -4.45 117.16 112.60 2wh8 n TYR 392 Ca 0.18 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.59 2wh8 n TYR 392 Cb 0.35 -0.33 -0.13 0.00 -0.31 0.00 0.00 39.34 38.92 2wh8 n TYR 392 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wh8 s VAL 393 N -2.17 3.61 -0.41 -0.72 1.01 -1.26 -0.93 120.40 119.53 2wh8 s VAL 393 Ca -0.12 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 2wh8 s VAL 393 Cb 0.03 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.89 2wh8 s VAL 393 CO 0.20 0.50 0.28 -0.60 0.00 0.00 0.00 175.10 175.48 2wh8 s ARG 394 N 0.41 2.84 -0.12 2.72 3.52 0.26 -4.80 118.95 123.79 2wh8 s ARG 394 Ca -0.06 -1.21 -0.14 0.00 -0.13 0.00 0.00 55.73 54.19 2wh8 s ARG 394 Cb -0.15 -3.88 0.04 0.00 -1.56 0.00 0.00 34.95 29.39 2wh8 s ARG 394 CO 0.04 -0.84 0.38 -0.98 -0.81 0.00 0.00 175.30 173.09 2wh8 s ARG 395 N 1.57 0.50 0.30 5.12 1.04 -1.26 -4.60 118.95 121.63 2wh8 s ARG 395 Ca 0.03 0.40 -0.27 0.00 -1.04 0.00 0.00 55.73 54.85 2wh8 s ARG 395 Cb -0.21 0.24 -0.10 0.00 -2.04 0.00 0.00 34.95 32.84 2wh8 s ARG 395 CO 0.06 -0.08 0.96 -1.25 -0.04 0.00 0.00 175.30 174.95 2wh8 s PRO 396 N -0.10 4.65 0.09 3.89 0.04 -1.26 -1.41 135.00 140.90 2wh8 s PRO 396 Ca -0.03 1.43 0.10 0.00 0.04 0.00 0.00 61.00 62.54 2wh8 s PRO 396 Cb -0.03 -2.97 -0.19 0.00 0.04 0.00 0.00 34.50 31.36 2wh8 s PRO 396 CO 0.01 0.32 1.12 -0.07 0.04 0.00 0.00 177.00 178.43 2wh8 h LEU 397 N 3.49 0.00 -7.31 -3.56 3.38 -0.23 -3.45 115.31 107.63 2wh8 h LEU 397 Ca -0.46 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.34 2wh8 h LEU 397 Cb 1.20 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.66 2wh8 h LEU 397 CO 0.66 0.94 -0.42 -0.55 0.09 0.00 0.00 178.44 179.16 2wh8 s SER 398 N -6.49 -0.35 -0.35 -0.43 0.15 -0.98 -4.57 113.70 100.68 2wh8 s SER 398 Ca -0.00 0.64 0.01 0.00 0.70 0.00 0.00 55.95 57.30 2wh8 s SER 398 Cb 0.09 0.53 0.11 0.00 -1.71 0.00 0.00 66.02 65.04 2wh8 s SER 398 CO 0.81 -0.17 0.13 -0.69 1.20 0.00 0.00 173.24 174.53 2wh8 s VAL 399 N 1.26 1.16 0.24 4.45 1.01 -1.26 -2.22 120.40 125.04 2wh8 s VAL 399 Ca -0.09 -1.83 -0.31 0.00 0.00 0.00 0.00 61.98 59.75 2wh8 s VAL 399 Cb -0.09 -1.85 -0.13 0.00 0.00 0.00 0.00 36.38 34.31 2wh8 s VAL 399 CO -0.10 -0.74 1.57 -2.65 0.00 0.00 0.00 175.10 173.18 2wh8 n PRO 400 N 4.41 2.44 -3.80 2.72 -0.02 -1.26 -2.31 135.00 137.17 2wh8 n PRO 400 Ca 0.02 0.87 -0.20 0.00 -2.02 0.00 0.00 63.50 62.16 2wh8 n PRO 400 Cb 0.40 -2.63 -0.17 0.00 -0.02 0.00 0.00 33.50 31.08 2wh8 n PRO 400 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2wh8 s PHE 401 N 0.37 0.41 -0.04 6.00 5.36 -0.42 -4.25 117.98 125.41 2wh8 s PHE 401 Ca 0.70 -0.00 0.05 0.00 -0.96 0.00 0.00 56.93 56.72 2wh8 s PHE 401 Cb -0.57 -0.60 -0.02 0.00 -0.34 0.00 0.00 43.02 41.48 2wh8 s PHE 401 CO 0.44 -0.23 -0.18 -0.98 -1.46 0.00 0.00 175.22 172.80 2wh8 s ARG 402 N 1.75 2.41 0.00 10.12 1.04 -0.57 -0.46 118.95 133.24 2wh8 s ARG 402 Ca 0.01 -0.78 0.00 0.00 -1.04 0.00 0.00 55.73 53.92 2wh8 s ARG 402 Cb -0.13 -2.27 0.00 0.00 -2.04 0.00 0.00 34.95 30.51 2wh8 s ARG 402 CO -0.04 0.58 0.00 1.55 -0.04 0.00 0.00 175.30 177.36