#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 -2.29 0.66 -0.00 -1.26 -4.51 115.22 107.82 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 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 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 -1.92 4.46 0.27 -0.41 2.56 -1.26 -4.65 118.70 117.76 2wh8 s GLU 8 Ca 0.22 1.99 -0.31 0.00 0.00 0.00 0.00 54.97 56.88 2wh8 s GLU 8 Cb 0.17 -3.18 -0.12 0.00 2.00 0.00 0.00 34.13 33.01 2wh8 s GLU 8 CO 0.34 -0.09 1.61 0.34 -0.56 0.00 0.00 175.26 176.90 2wh8 n PHE 9 N 1.85 2.77 -3.64 5.30 7.35 -1.26 -5.00 117.46 124.84 2wh8 n PHE 9 Ca 0.03 0.21 -0.15 0.00 -0.76 0.00 0.00 57.45 56.78 2wh8 n PHE 9 Cb 0.43 -2.61 -0.08 0.00 0.35 0.00 0.00 39.48 37.58 2wh8 n PHE 9 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2wh8 s GLN 10 N -0.06 0.81 0.23 -4.13 -2.07 -1.26 -5.14 119.66 108.05 2wh8 s GLN 10 Ca 0.67 0.41 -0.31 0.00 -1.82 0.00 0.00 55.36 54.32 2wh8 s GLN 10 Cb -0.51 0.38 -0.11 0.00 -1.09 0.00 0.00 33.01 31.68 2wh8 s GLN 10 CO 0.44 -0.19 1.55 -0.51 -1.32 0.00 0.00 175.29 175.26 2wh8 s LEU 11 N -0.55 4.37 0.68 2.60 1.43 -1.26 -4.95 118.68 121.00 2wh8 s LEU 11 Ca -0.07 2.75 -0.15 0.00 -1.03 0.00 0.00 54.13 55.63 2wh8 s LEU 11 Cb -0.03 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.59 2wh8 s LEU 11 CO 0.05 -0.83 1.15 0.00 0.23 0.00 0.00 176.35 176.95 2wh8 s ALA 12 N 0.45 2.33 0.30 4.21 0.00 -1.26 -5.00 121.76 122.80 2wh8 s ALA 12 Ca 0.65 0.69 0.03 0.00 0.00 0.00 0.00 51.96 53.33 2wh8 s ALA 12 Cb -0.45 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 2wh8 s ALA 12 CO 0.40 -1.50 0.11 0.95 0.00 0.00 0.00 175.76 175.72 2wh8 s THR 13 N -2.17 0.64 0.49 0.00 -4.23 -1.26 -4.02 115.64 105.08 2wh8 s THR 13 Ca 0.70 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 59.45 2wh8 s THR 13 Cb -0.24 -2.60 0.42 0.00 1.34 0.00 0.00 72.50 71.42 2wh8 s THR 13 CO 0.42 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.41 2wh8 h ALA 14 N 2.20 2.49 0.00 3.99 0.00 -1.84 0.17 119.26 126.27 2wh8 h ALA 14 Ca -0.37 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2wh8 h ALA 14 Cb 1.25 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2wh8 h ALA 14 CO 0.60 -0.72 -0.35 0.93 0.00 0.00 0.00 179.25 179.71 2wh8 h GLU 15 N 0.17 0.00 -0.01 0.00 3.07 -1.91 -3.28 114.58 112.62 2wh8 h GLU 15 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 2wh8 h GLU 15 Cb 1.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2wh8 h GLU 15 CO -0.07 0.35 -0.23 0.25 -1.40 0.00 0.00 179.01 177.91 2wh8 n THR 16 N -3.55 0.00 0.30 1.13 -2.24 0.41 -4.47 114.28 105.86 2wh8 n THR 16 Ca -0.00 -0.39 0.18 0.00 -2.27 0.00 0.00 64.05 61.57 2wh8 n THR 16 Cb 0.48 1.15 0.96 0.00 -2.10 0.00 0.00 70.33 70.82 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 1.38 0.00 -0.14 4.78 -0.00 -1.11 -3.20 115.95 117.66 2wh8 h TRP 17 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.83 2wh8 h TRP 17 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.55 2wh8 h TRP 17 CO 0.00 0.03 -0.18 -1.35 -0.00 0.00 0.00 178.44 176.94 2wh8 h PRO 18 N 0.00 0.24 -1.19 0.49 0.11 -1.79 -3.38 132.00 126.48 2wh8 h PRO 18 Ca -0.00 -0.06 -0.42 0.00 0.11 0.00 0.00 66.00 65.63 2wh8 h PRO 18 Cb 0.17 -0.03 -0.29 0.00 0.11 0.00 0.00 31.00 30.96 2wh8 h PRO 18 CO 0.00 0.42 -0.86 -1.71 -0.21 0.00 0.00 178.00 175.64 2wh8 n ASN 19 N -4.23 -1.06 -0.11 -2.05 5.15 -1.21 -4.94 115.26 106.81 2wh8 n ASN 19 Ca -0.01 -2.95 0.15 0.00 -0.60 0.00 0.00 54.58 51.17 2wh8 n ASN 19 Cb 0.30 0.37 0.71 0.00 -0.53 0.00 0.00 39.78 40.63 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 1.46 0.84 -0.10 1.20 -0.04 -1.25 -4.39 135.00 132.72 2wh8 n PRO 20 Ca 0.16 -0.22 -0.07 0.00 -0.04 0.00 0.00 63.50 63.33 2wh8 n PRO 20 Cb 0.57 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.54 0.89 -0.80 0.54 -0.00 -1.93 -1.60 115.95 113.58 2wh8 h TRP 21 Ca 0.00 -0.18 -0.01 0.00 -0.00 0.00 0.00 58.89 58.71 2wh8 h TRP 21 Cb 0.27 -0.22 -0.04 0.00 -0.00 0.00 0.00 29.16 29.17 2wh8 h TRP 21 CO 0.00 0.89 0.47 -1.35 -0.00 0.00 0.00 178.44 178.45 2wh8 h PRO 22 N 0.71 1.10 0.01 0.49 0.11 -1.94 0.00 132.00 132.48 2wh8 h PRO 22 Ca 0.11 -0.11 0.01 0.00 0.11 0.00 0.00 66.00 66.12 2wh8 h PRO 22 Cb 0.65 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2wh8 h PRO 22 CO 0.05 0.78 -0.06 1.98 -0.21 0.00 0.00 178.00 180.54 2wh8 h MET 23 N 1.10 -0.11 -0.71 1.05 -1.53 -1.66 -0.98 114.93 112.10 2wh8 h MET 23 Ca 0.29 0.01 0.06 0.00 -3.44 0.00 0.00 59.70 56.61 2wh8 h MET 23 Cb -0.02 0.02 -0.06 0.00 -0.55 0.00 0.00 31.60 31.00 2wh8 h MET 23 CO -0.05 -0.07 0.41 1.88 0.14 0.00 0.00 176.91 179.22 2wh8 h TYR 24 N -0.11 0.76 -0.56 1.39 0.05 -0.96 -2.13 116.97 115.41 2wh8 h TYR 24 Ca 0.02 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 2wh8 h TYR 24 Cb 0.14 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 2wh8 h TYR 24 CO -0.12 0.38 0.25 -0.09 -1.05 0.00 0.00 178.16 177.52 2wh8 h ARG 25 N 0.76 0.82 -0.75 4.88 9.65 -0.57 -0.78 114.38 128.40 2wh8 h ARG 25 Ca 0.31 -0.13 0.05 0.00 -1.10 0.00 0.00 59.98 59.11 2wh8 h ARG 25 Cb 0.17 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.55 2wh8 h ARG 25 CO -0.17 0.69 0.45 0.00 2.80 0.00 0.00 179.97 183.74 2wh8 h ALA 26 N 1.09 1.01 0.12 2.80 0.00 -0.74 -1.07 119.26 122.47 2wh8 h ALA 26 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2wh8 h ALA 26 Cb 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2wh8 h ALA 26 CO -0.02 0.18 -0.06 -0.07 0.00 0.00 0.00 179.25 179.28 2wh8 h LEU 27 N 0.84 -0.14 -1.51 0.00 3.38 -0.96 -1.22 115.31 115.70 2wh8 h LEU 27 Ca 0.32 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2wh8 h LEU 27 Cb 0.13 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2wh8 h LEU 27 CO -0.16 -0.00 0.22 0.03 0.09 0.00 0.00 178.44 178.62 2wh8 h ARG 28 N -0.27 0.54 0.13 1.13 3.08 -0.81 0.19 114.38 118.38 2wh8 h ARG 28 Ca -0.02 -0.05 -0.33 0.00 0.07 0.00 0.00 59.98 59.66 2wh8 h ARG 28 Cb 0.22 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2wh8 h ARG 28 CO 0.03 0.40 -1.66 -0.44 -1.07 0.00 0.00 179.97 177.23 2wh8 h ASP 29 N 0.55 0.44 0.00 7.04 3.32 -1.12 -3.41 116.42 123.25 2wh8 h ASP 29 Ca 0.14 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.52 2wh8 h ASP 29 Cb 0.02 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.43 2wh8 h ASP 29 CO -0.02 1.57 -0.99 1.41 -1.72 0.00 0.00 179.24 179.48 2wh8 n HIS 30 N -3.47 0.00 -2.74 4.55 8.25 -0.47 -4.88 115.22 116.45 2wh8 n HIS 30 Ca -0.21 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.18 2wh8 n HIS 30 Cb 1.05 -0.09 0.05 0.00 1.12 0.00 0.00 29.99 32.13 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 -1.54 -2.77 0.24 0.41 2.03 0.62 -5.01 116.55 110.53 2wh8 n ASP 31 Ca -0.00 -3.16 0.16 0.00 0.52 0.00 0.00 54.79 52.30 2wh8 n ASP 31 Cb 0.12 1.73 0.61 0.00 -0.72 0.00 0.00 41.12 42.86 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 3.93 0.00 -3.11 -0.67 0.13 -1.60 -3.22 132.00 127.47 2wh8 h PRO 32 Ca -0.16 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.34 2wh8 h PRO 32 Cb 1.05 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.77 2wh8 h PRO 32 CO 0.28 0.00 -0.48 0.28 -0.23 0.00 0.00 178.00 177.85 2wh8 n VAL 33 N -2.91 1.93 -3.50 1.56 0.31 -1.26 -3.25 118.33 111.21 2wh8 n VAL 33 Ca 0.01 -4.93 -0.37 0.00 -0.01 0.00 0.00 64.34 59.05 2wh8 n VAL 33 Cb 0.31 -2.22 -0.07 0.00 -0.91 0.00 0.00 33.84 30.95 2wh8 n VAL 33 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2wh8 s HIS 34 N -1.49 3.48 -0.30 3.52 2.46 -0.47 -4.86 115.29 117.63 2wh8 s HIS 34 Ca 0.26 0.65 -0.19 0.00 0.47 0.00 0.00 55.06 56.25 2wh8 s HIS 34 Cb -0.04 -2.37 -0.01 0.00 -0.13 0.00 0.00 32.58 30.02 2wh8 s HIS 34 CO -0.16 0.24 0.55 -1.58 -2.47 0.00 0.00 174.74 171.32 2wh8 s HIS 35 N 0.45 3.22 -0.28 3.88 2.46 -1.26 -0.30 115.29 123.45 2wh8 s HIS 35 Ca 0.18 0.48 -0.12 0.00 0.47 0.00 0.00 55.06 56.07 2wh8 s HIS 35 Cb -0.13 -2.87 -0.04 0.00 -0.13 0.00 0.00 32.58 29.40 2wh8 s HIS 35 CO 0.05 -0.42 0.26 0.08 -2.47 0.00 0.00 174.74 172.24 2wh8 s VAL 36 N 2.44 5.26 -0.38 0.89 1.01 0.73 -4.99 120.40 125.36 2wh8 s VAL 36 Ca 0.22 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.51 2wh8 s VAL 36 Cb -0.15 -3.60 0.11 0.00 0.00 0.00 0.00 36.38 32.73 2wh8 s VAL 36 CO 0.11 0.20 0.10 -0.69 0.00 0.00 0.00 175.10 174.82 2wh8 s VAL 37 N 1.87 2.45 0.06 2.92 1.01 -1.26 -1.26 120.40 126.19 2wh8 s VAL 37 Ca 0.10 -2.46 -0.30 0.00 0.00 0.00 0.00 61.98 59.31 2wh8 s VAL 37 Cb -0.16 -2.78 -0.09 0.00 0.00 0.00 0.00 36.38 33.36 2wh8 s VAL 37 CO 0.11 -0.64 1.81 -2.84 0.00 0.00 0.00 175.10 173.54 2wh8 s PRO 38 N 0.75 4.16 0.26 2.72 0.02 -1.26 -4.86 135.00 136.78 2wh8 s PRO 38 Ca 0.12 2.48 -0.04 0.00 0.02 0.00 0.00 61.00 63.58 2wh8 s PRO 38 Cb -0.20 -3.85 0.38 0.00 0.02 0.00 0.00 34.50 30.85 2wh8 s PRO 38 CO -0.06 -0.86 1.86 -1.35 -0.33 0.00 0.00 177.00 176.26 2wh8 h PRO 39 N 9.35 1.04 0.00 5.54 0.11 -1.98 -0.24 132.00 145.82 2wh8 h PRO 39 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2wh8 h PRO 39 Cb 1.21 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2wh8 h PRO 39 CO 0.94 0.69 0.00 1.96 -0.21 0.00 0.00 178.00 181.38 2wh8 h GLN 40 N 1.07 0.00 -1.47 1.05 7.50 -2.05 -3.37 115.11 117.84 2wh8 h GLN 40 Ca 0.41 0.00 -0.46 0.00 0.50 0.00 0.00 58.65 59.10 2wh8 h GLN 40 Cb 0.19 0.00 -0.32 0.00 0.05 0.00 0.00 27.48 27.40 2wh8 h GLN 40 CO -0.18 0.00 -0.93 2.89 -1.50 0.00 0.00 178.83 179.11 2wh8 n ARG 41 N -2.58 0.71 0.30 1.46 1.85 -0.16 -4.97 116.66 113.27 2wh8 n ARG 41 Ca 0.04 -2.80 0.17 0.00 -1.00 0.00 0.00 57.85 54.26 2wh8 n ARG 41 Cb 0.41 -1.30 0.98 0.00 -1.05 0.00 0.00 32.46 31.49 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 4.08 0.00 0.00 2.89 0.13 -1.56 -0.60 132.00 136.94 2wh8 h PRO 42 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2wh8 h PRO 42 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 2wh8 h PRO 42 CO 0.42 0.02 -0.02 0.93 -0.23 0.00 0.00 178.00 179.11 2wh8 h GLU 43 N 0.00 0.00 -0.91 0.86 3.07 -1.93 -2.64 114.58 113.02 2wh8 h GLU 43 Ca -0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.30 2wh8 h GLU 43 Cb 0.08 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 27.70 2wh8 h GLU 43 CO 0.00 0.02 0.57 0.66 -1.40 0.00 0.00 179.01 178.86 2wh8 n TYR 44 N -3.33 2.92 -1.81 4.33 4.02 -0.23 -5.02 117.16 118.05 2wh8 n TYR 44 Ca -0.02 -2.41 -0.36 0.00 -0.01 0.00 0.00 57.90 55.10 2wh8 n TYR 44 Cb 0.14 -1.09 0.06 0.00 -0.02 0.00 0.00 39.34 38.42 2wh8 n TYR 44 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 2wh8 s ASP 45 N -1.86 4.79 0.34 7.72 -4.77 -1.00 -4.68 116.67 117.22 2wh8 s ASP 45 Ca 0.59 2.48 -0.06 0.00 -3.30 0.00 0.00 52.55 52.26 2wh8 s ASP 45 Cb 0.48 -2.61 0.01 0.00 -1.09 0.00 0.00 42.92 39.72 2wh8 s ASP 45 CO 0.04 -1.87 0.54 -0.72 0.70 0.00 0.00 175.17 173.86 2wh8 s TYR 46 N -1.57 0.80 0.31 2.11 -0.85 -0.39 -4.56 117.35 113.21 2wh8 s TYR 46 Ca 0.79 -1.14 0.11 0.00 -0.52 0.00 0.00 57.07 56.31 2wh8 s TYR 46 Cb -0.33 0.14 -0.06 0.00 0.38 0.00 0.00 41.96 42.09 2wh8 s TYR 46 CO 0.38 -1.21 -0.14 0.71 -1.52 0.00 0.00 175.55 173.76 2wh8 s TYR 47 N -2.99 2.36 -0.05 -3.49 2.02 -0.28 -0.19 117.35 114.73 2wh8 s TYR 47 Ca 0.27 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 2wh8 s TYR 47 Cb -0.01 -1.18 0.02 0.00 -0.40 0.00 0.00 41.96 40.38 2wh8 s TYR 47 CO 0.17 0.65 -0.08 0.08 -1.57 0.00 0.00 175.55 174.81 2wh8 s VAL 48 N -2.55 0.78 -0.16 0.71 1.01 0.58 0.01 120.40 120.80 2wh8 s VAL 48 Ca 0.31 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 2wh8 s VAL 48 Cb -0.02 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2wh8 s VAL 48 CO 0.16 0.27 -0.04 -0.76 0.00 0.00 0.00 175.10 174.73 2wh8 s LEU 49 N 0.72 3.23 0.00 3.92 1.43 0.13 -1.37 118.68 126.74 2wh8 s LEU 49 Ca -0.12 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2wh8 s LEU 49 Cb -0.14 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.30 2wh8 s LEU 49 CO 0.02 0.17 0.00 -1.54 0.23 0.00 0.00 176.35 175.22 2wh8 n SER 50 N 3.54 2.75 -4.84 2.29 3.41 -1.20 -1.27 113.62 118.30 2wh8 n SER 50 Ca -0.17 -0.17 -0.34 0.00 -0.26 0.00 0.00 58.87 57.92 2wh8 n SER 50 Cb 0.52 0.89 -0.06 0.00 -0.26 0.00 0.00 64.21 65.31 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 -1.44 4.03 0.15 4.33 0.52 -1.26 -2.78 118.95 122.51 2wh8 s ARG 51 Ca 0.00 0.61 -0.17 0.00 -0.52 0.00 0.00 55.73 55.64 2wh8 s ARG 51 Cb 0.00 -2.75 0.06 0.00 0.52 0.00 0.00 34.95 32.78 2wh8 s ARG 51 CO 0.00 0.35 1.70 1.25 0.02 0.00 0.00 175.30 178.62 2wh8 h HIS 52 N 3.05 -0.04 -0.72 -0.53 -0.00 -1.86 -0.71 115.15 114.34 2wh8 h HIS 52 Ca -0.48 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 59.87 2wh8 h HIS 52 Cb 1.18 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 28.63 2wh8 h HIS 52 CO 0.63 -0.07 0.28 0.00 -0.00 0.00 0.00 177.93 178.77 2wh8 h ALA 53 N 1.30 1.12 -0.07 5.26 0.00 -1.94 -0.25 119.26 124.69 2wh8 h ALA 53 Ca 0.16 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2wh8 h ALA 53 Cb 0.23 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2wh8 h ALA 53 CO -0.28 0.62 -0.72 -0.44 0.00 0.00 0.00 179.25 178.43 2wh8 h ASP 54 N 1.05 0.75 -0.56 0.00 3.32 -1.84 -2.04 116.42 117.10 2wh8 h ASP 54 Ca 0.24 -0.69 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 2wh8 h ASP 54 Cb 0.22 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2wh8 h ASP 54 CO -0.02 1.32 0.11 0.58 -1.72 0.00 0.00 179.24 179.52 2wh8 h VAL 55 N 0.23 1.25 0.17 -1.35 2.07 -1.04 -1.08 116.25 116.50 2wh8 h VAL 55 Ca -0.07 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 2wh8 h VAL 55 Cb 1.38 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2wh8 h VAL 55 CO 0.14 0.34 -0.08 -0.25 0.02 0.00 0.00 177.57 177.74 2wh8 h TRP 56 N 0.81 -0.21 -0.37 1.57 2.91 -1.02 -0.53 115.95 119.11 2wh8 h TRP 56 Ca 0.17 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.14 2wh8 h TRP 56 Cb 0.38 0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.08 2wh8 h TRP 56 CO 0.03 0.02 0.03 0.66 -1.03 0.00 0.00 178.44 178.15 2wh8 h SER 57 N -0.41 0.52 -0.26 2.65 4.64 -1.37 -2.40 113.55 116.92 2wh8 h SER 57 Ca -0.02 -0.09 -0.18 0.00 -0.47 0.00 0.00 61.79 61.03 2wh8 h SER 57 Cb 0.32 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2wh8 h SER 57 CO 0.04 0.58 -0.51 0.00 -0.87 0.00 0.00 176.83 176.07 2wh8 h ALA 58 N 1.49 0.54 -0.91 5.18 0.00 -0.93 -1.59 119.26 123.03 2wh8 h ALA 58 Ca 0.12 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2wh8 h ALA 58 Cb 0.31 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2wh8 h ALA 58 CO 0.01 0.68 0.58 0.00 0.00 0.00 0.00 179.25 180.52 2wh8 h ALA 59 N 0.76 1.16 -0.58 0.00 0.00 -1.01 -2.56 119.26 117.02 2wh8 h ALA 59 Ca 0.03 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2wh8 h ALA 59 Cb 1.10 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2wh8 h ALA 59 CO 0.11 0.59 0.03 -0.09 0.00 0.00 0.00 179.25 179.89 2wh8 h ARG 60 N 1.25 1.00 -4.56 0.00 9.65 -1.28 -3.38 114.38 117.06 2wh8 h ARG 60 Ca 0.33 -0.30 -0.72 0.00 -1.10 0.00 0.00 59.98 58.19 2wh8 h ARG 60 Cb -0.11 -0.10 -0.10 0.00 -1.39 0.00 0.00 29.97 28.27 2wh8 h ARG 60 CO -0.07 0.98 2.30 -3.47 2.80 0.00 0.00 179.97 182.51 2wh8 n ASP 61 N -4.26 4.69 0.27 -3.80 -0.08 -0.61 -4.68 116.55 108.09 2wh8 n ASP 61 Ca 0.02 -2.95 0.14 0.00 -1.51 0.00 0.00 54.79 50.50 2wh8 n ASP 61 Cb 0.32 -1.63 0.78 0.00 2.34 0.00 0.00 41.12 42.93 2wh8 n ASP 61 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 2wh8 h HIS 62 N 6.60 0.00 -0.54 -0.67 2.07 -1.75 0.20 115.15 121.06 2wh8 h HIS 62 Ca 0.45 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.91 2wh8 h HIS 62 Cb 0.75 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.70 2wh8 h HIS 62 CO 1.34 0.09 0.11 1.96 -3.07 0.00 0.00 177.93 178.36 2wh8 h GLN 63 N 0.00 0.88 0.14 5.12 7.50 -1.94 -3.23 115.11 123.57 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 0.30 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.71 2wh8 h GLN 63 CO 0.01 0.84 -1.85 1.15 -1.50 0.00 0.00 178.83 177.48 2wh8 h THR 64 N 0.77 0.79 -3.59 -0.54 2.02 -1.86 -3.42 112.91 107.09 2wh8 h THR 64 Ca 0.17 -2.46 -0.71 0.00 0.77 0.00 0.00 66.41 64.17 2wh8 h THR 64 Cb 0.37 2.61 -0.33 0.00 -1.74 0.00 0.00 68.15 69.06 2wh8 h THR 64 CO 0.01 0.85 -0.28 -0.36 0.37 0.00 0.00 175.52 176.11 2wh8 s PHE 65 N -2.57 3.47 0.24 3.16 0.08 0.66 -0.88 117.98 122.15 2wh8 s PHE 65 Ca -0.18 -2.57 -0.16 0.00 0.12 0.00 0.00 56.93 54.15 2wh8 s PHE 65 Cb 0.06 -3.32 -0.08 0.00 -0.57 0.00 0.00 43.02 39.11 2wh8 s PHE 65 CO 0.81 -0.87 0.67 0.45 -0.10 0.00 0.00 175.22 176.18 2wh8 s SER 66 N 1.00 6.86 0.00 1.36 0.15 0.42 -4.32 113.70 119.18 2wh8 s SER 66 Ca 0.17 1.24 0.25 0.00 0.70 0.00 0.00 55.95 58.31 2wh8 s SER 66 Cb -0.19 -2.35 0.45 0.00 -1.71 0.00 0.00 66.02 62.22 2wh8 s SER 66 CO -0.04 -0.05 1.38 -1.20 1.20 0.00 0.00 173.24 174.52 2wh8 n SER 67 N 0.25 1.72 0.07 5.45 7.64 -1.26 -0.43 113.62 127.06 2wh8 n SER 67 Ca -0.00 -1.35 0.13 0.00 1.01 0.00 0.00 58.87 58.65 2wh8 n SER 67 Cb 0.52 0.22 0.48 0.00 -1.01 0.00 0.00 64.21 64.42 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 -0.04 2.16 0.96 -0.43 0.00 -1.26 -2.67 120.51 119.22 2wh8 n ALA 68 Ca 0.12 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.64 2wh8 n ALA 68 Cb 0.43 -1.44 0.09 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.96 2.10 0.00 0.00 1.13 -1.26 -4.93 117.38 112.46 2wh8 n GLN 69 Ca 0.05 -1.78 0.00 0.00 -1.94 0.00 0.00 57.00 53.33 2wh8 n GLN 69 Cb 0.35 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.26 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 1.30 0.96 0.00 1.08 0.00 -1.09 -3.53 105.19 103.92 2wh8 n GLY 70 Ca 0.13 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 1.04 -5.03 0.99 4.77 -1.26 -4.57 117.00 112.94 2wh8 n LEU 71 Ca 0.00 -1.04 -0.20 0.00 -0.03 0.00 0.00 56.01 54.74 2wh8 n LEU 71 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2wh8 n LEU 71 CO 0.00 0.26 0.36 0.42 -1.33 0.00 0.00 177.39 177.10 2wh8 s THR 72 N -0.36 2.21 -2.19 -5.08 -4.23 -1.26 0.23 115.64 104.95 2wh8 s THR 72 Ca 0.00 -0.95 0.22 0.00 -1.18 0.00 0.00 61.69 59.78 2wh8 s THR 72 Cb 0.00 -2.26 0.53 0.00 1.34 0.00 0.00 72.50 72.11 2wh8 s THR 72 CO 0.00 0.00 1.68 1.33 -0.54 0.00 0.00 174.62 177.09 2wh8 n VAL 73 N -2.29 0.10 -2.90 2.29 0.24 -1.26 -4.68 118.33 109.83 2wh8 n VAL 73 Ca 0.15 -0.19 -0.43 0.00 -2.04 0.00 0.00 64.34 61.83 2wh8 n VAL 73 Cb 0.61 0.09 -0.05 0.00 -1.47 0.00 0.00 33.84 33.03 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 -1.66 6.49 0.66 -1.34 0.01 -1.26 -4.97 114.94 112.87 2wh8 s ASN 74 Ca 0.33 0.12 -0.17 0.00 -0.71 0.00 0.00 52.86 52.43 2wh8 s ASN 74 Cb 0.17 -2.42 -0.00 0.00 0.41 0.00 0.00 41.25 39.41 2wh8 s ASN 74 CO 0.26 -0.91 1.20 -0.31 -1.51 0.00 0.00 177.10 175.83 2wh8 s TYR 75 N 3.42 2.27 0.00 2.20 2.02 -1.26 -2.79 117.35 123.21 2wh8 s TYR 75 Ca 0.33 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.58 2wh8 s TYR 75 Cb -0.12 -3.45 0.00 0.00 -0.40 0.00 0.00 41.96 37.99 2wh8 s TYR 75 CO 0.22 -2.34 0.00 0.41 -1.57 0.00 0.00 175.55 172.27 2wh8 n GLY 76 N 0.36 1.38 0.39 0.71 0.00 -1.26 -4.96 105.19 101.81 2wh8 n GLY 76 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 2.96 -0.16 -0.42 1.61 4.81 -1.74 0.76 114.58 122.40 2wh8 h GLU 77 Ca 0.00 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 2wh8 h GLU 77 Cb 0.00 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 2wh8 h GLU 77 CO 0.00 -0.11 0.16 1.25 -0.73 0.00 0.00 179.01 179.58 2wh8 h LEU 78 N -0.17 0.18 0.17 1.64 5.85 -1.89 -0.70 115.31 120.39 2wh8 h LEU 78 Ca 0.20 0.04 -0.23 0.00 0.84 0.00 0.00 57.88 58.74 2wh8 h LEU 78 Cb 0.55 0.02 0.03 0.00 0.37 0.00 0.00 40.66 41.63 2wh8 h LEU 78 CO -0.76 0.14 -1.03 -0.08 -0.34 0.00 0.00 178.44 176.37 2wh8 h GLU 79 N 0.33 0.36 -0.83 1.25 4.57 -1.80 0.13 114.58 118.59 2wh8 h GLU 79 Ca 0.19 -0.62 0.06 0.00 -1.18 0.00 0.00 59.36 57.81 2wh8 h GLU 79 Cb 0.17 0.23 -0.05 0.00 -0.16 0.00 0.00 28.75 28.93 2wh8 h GLU 79 CO -0.19 1.30 0.54 0.52 -1.18 0.00 0.00 179.01 180.00 2wh8 h MET 80 N -0.23 0.90 0.00 1.92 2.86 -0.71 -2.37 114.93 117.29 2wh8 h MET 80 Ca -0.18 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.32 2wh8 h MET 80 Cb 1.79 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 33.24 2wh8 h MET 80 CO 0.18 0.60 -0.60 0.97 1.06 0.00 0.00 176.91 179.11 2wh8 h ILE 81 N 0.93 0.52 -0.31 -1.22 2.10 -1.17 -3.48 117.51 114.88 2wh8 h ILE 81 Ca 0.35 -1.79 0.00 0.00 1.08 0.00 0.00 64.86 64.50 2wh8 h ILE 81 Cb 0.20 2.17 0.00 0.00 -1.09 0.00 0.00 36.82 38.10 2wh8 h ILE 81 CO -0.12 0.30 0.00 0.61 -1.08 0.00 0.00 178.15 177.85 2wh8 n GLY 82 N 1.22 0.99 0.34 8.18 0.00 -0.67 -5.01 105.19 110.25 2wh8 n GLY 82 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.84 2wh8 n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wh8 n LEU 83 N -0.16 2.55 0.05 0.99 4.32 0.38 -4.76 117.00 120.38 2wh8 n LEU 83 Ca 0.00 -2.14 -0.13 0.00 -0.02 0.00 0.00 56.01 53.72 2wh8 n LEU 83 Cb 0.16 -0.17 -0.08 0.00 -1.62 0.00 0.00 43.42 41.71 2wh8 n LEU 83 CO 0.00 0.62 0.76 -0.74 -1.22 0.00 0.00 177.39 176.81 2wh8 h HIS 84 N 0.99 -0.07 -0.51 -1.77 -0.00 -1.91 -2.91 115.15 108.97 2wh8 h HIS 84 Ca 0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.25 2wh8 h HIS 84 Cb 0.70 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.12 2wh8 h HIS 84 CO 0.13 0.13 -0.14 -0.44 -0.00 0.00 0.00 177.93 177.61 2wh8 h ASP 85 N -0.26 1.00 -2.33 3.26 3.32 -1.95 -3.35 116.42 116.10 2wh8 h ASP 85 Ca -0.01 -0.37 -0.59 0.00 0.02 0.00 0.00 57.03 56.09 2wh8 h ASP 85 Cb 0.23 -0.27 -0.39 0.00 0.22 0.00 0.00 39.33 39.12 2wh8 h ASP 85 CO 0.01 1.14 -0.96 0.41 -1.72 0.00 0.00 179.24 178.12 2wh8 n THR 86 N -4.16 -0.73 -1.88 0.35 -1.04 -1.25 -5.13 114.28 100.45 2wh8 n THR 86 Ca 0.01 -3.75 -0.32 0.00 -2.04 0.00 0.00 64.05 57.95 2wh8 n THR 86 Cb 0.42 -1.79 0.02 0.00 -1.82 0.00 0.00 70.33 67.16 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 -0.46 3.25 0.85 -2.82 0.04 -1.10 -4.93 135.00 129.83 2wh8 s PRO 87 Ca 0.33 1.05 -0.10 0.00 0.04 0.00 0.00 61.00 62.32 2wh8 s PRO 87 Cb 0.07 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.68 2wh8 s PRO 87 CO -0.17 -0.86 1.12 -1.25 0.04 0.00 0.00 177.00 175.88 2wh8 s PRO 88 N -4.52 1.56 0.51 0.56 0.04 -1.26 -4.90 135.00 126.99 2wh8 s PRO 88 Ca 0.60 1.33 0.21 0.00 0.04 0.00 0.00 61.00 63.19 2wh8 s PRO 88 Cb -0.14 -1.81 1.34 0.00 0.04 0.00 0.00 34.50 33.93 2wh8 s PRO 88 CO 0.44 -2.18 2.09 0.00 0.04 0.00 0.00 177.00 177.40 2wh8 h MET 89 N -1.53 0.00 0.00 4.56 -0.00 -1.94 -0.45 114.93 115.57 2wh8 h MET 89 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.26 2wh8 h MET 89 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 2wh8 h MET 89 CO 0.47 0.10 0.00 1.33 -0.00 0.00 0.00 176.91 178.81 2wh8 n VAL 90 N -4.08 1.02 -1.49 -0.10 0.24 -1.26 -2.41 118.33 110.25 2wh8 n VAL 90 Ca -0.02 0.26 -0.05 0.00 -2.04 0.00 0.00 64.34 62.49 2wh8 n VAL 90 Cb 0.18 -1.05 0.19 0.00 -1.47 0.00 0.00 33.84 31.70 2wh8 n VAL 90 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 2wh8 n MET 91 N -1.61 1.87 -4.76 7.34 2.81 -0.18 -4.84 117.12 117.75 2wh8 n MET 91 Ca 0.03 -3.24 -0.29 0.00 -1.81 0.00 0.00 57.70 52.39 2wh8 n MET 91 Cb 0.17 -1.82 -0.14 0.00 -0.71 0.00 0.00 33.22 30.71 2wh8 n MET 91 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2wh8 s GLN 92 N -3.28 1.63 0.22 0.03 -0.21 -1.01 -4.11 119.66 112.93 2wh8 s GLN 92 Ca 0.45 -1.11 0.06 0.00 0.02 0.00 0.00 55.36 54.78 2wh8 s GLN 92 Cb 0.41 -1.84 -0.04 0.00 1.00 0.00 0.00 33.01 32.54 2wh8 s GLN 92 CO -0.01 0.47 0.21 -0.51 -2.12 0.00 0.00 175.29 173.33 2wh8 s ASP 93 N -1.36 5.71 0.50 5.90 1.01 -1.26 -4.70 116.67 122.47 2wh8 s ASP 93 Ca 0.11 -0.14 -0.23 0.00 0.71 0.00 0.00 52.55 53.00 2wh8 s ASP 93 Cb -0.10 -1.52 -0.06 0.00 1.01 0.00 0.00 42.92 42.25 2wh8 s ASP 93 CO 0.03 -0.01 1.30 -2.84 0.21 0.00 0.00 175.17 173.86 2wh8 s PRO 94 N -3.64 3.44 0.27 8.23 0.02 -1.26 -1.20 135.00 140.87 2wh8 s PRO 94 Ca 0.33 2.11 0.20 0.00 0.02 0.00 0.00 61.00 63.66 2wh8 s PRO 94 Cb -0.09 -2.38 0.10 0.00 0.02 0.00 0.00 34.50 32.15 2wh8 s PRO 94 CO 0.25 -0.91 1.28 -1.00 -0.33 0.00 0.00 177.00 176.29 2wh8 h PRO 95 N 1.81 0.00 -0.96 5.54 0.13 -2.02 -3.45 132.00 133.05 2wh8 h PRO 95 Ca -0.50 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2wh8 h PRO 95 Cb 1.28 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 2wh8 h PRO 95 CO 0.59 0.16 0.64 0.28 -0.23 0.00 0.00 178.00 179.44 2wh8 h VAL 96 N 0.00 1.23 -0.27 1.56 2.07 -1.88 -1.53 116.25 117.44 2wh8 h VAL 96 Ca -0.03 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2wh8 h VAL 96 Cb 1.18 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2wh8 h VAL 96 CO 0.02 0.24 0.09 -0.74 0.02 0.00 0.00 177.57 177.19 2wh8 h HIS 97 N 1.29 0.37 0.10 1.57 -0.00 -1.43 -3.30 115.15 113.75 2wh8 h HIS 97 Ca 0.36 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.71 2wh8 h HIS 97 Cb -0.13 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.16 2wh8 h HIS 97 CO -0.00 0.32 -0.05 1.15 -0.00 0.00 0.00 177.93 179.34 2wh8 h THR 98 N 0.38 0.91 -0.30 6.26 2.02 -1.53 -0.53 112.91 120.12 2wh8 h THR 98 Ca 0.09 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 2wh8 h THR 98 Cb 0.12 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2wh8 h THR 98 CO -0.01 0.00 0.05 -0.08 0.37 0.00 0.00 175.52 175.86 2wh8 h GLU 99 N -0.15 0.50 -0.26 6.66 4.57 -1.64 -1.57 114.58 122.69 2wh8 h GLU 99 Ca -0.01 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2wh8 h GLU 99 Cb 0.11 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2wh8 h GLU 99 CO 0.02 0.59 0.15 0.35 -1.18 0.00 0.00 179.01 178.95 2wh8 h PHE 100 N 0.32 0.35 -0.53 0.92 3.57 -1.63 -1.38 116.94 118.56 2wh8 h PHE 100 Ca 0.09 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2wh8 h PHE 100 Cb 0.34 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 2wh8 h PHE 100 CO 0.02 0.27 0.35 -0.09 -2.23 0.00 0.00 178.31 176.63 2wh8 h ARG 101 N 0.32 0.65 -0.78 1.11 2.43 -1.05 -1.53 114.38 115.53 2wh8 h ARG 101 Ca 0.09 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2wh8 h ARG 101 Cb 0.03 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 2wh8 h ARG 101 CO -0.02 0.43 0.35 -0.22 -1.51 0.00 0.00 179.97 179.00 2wh8 h LYS 102 N 0.67 1.15 0.04 0.20 3.64 -0.22 -0.73 116.57 121.32 2wh8 h LYS 102 Ca 0.20 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2wh8 h LYS 102 Cb -0.01 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 2wh8 h LYS 102 CO -0.05 0.91 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.95 2wh8 h LEU 103 N 1.12 -0.05 -1.10 5.20 3.38 -0.85 -3.22 115.31 119.78 2wh8 h LEU 103 Ca 0.27 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2wh8 h LEU 103 Cb 0.16 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2wh8 h LEU 103 CO -0.03 0.41 -0.37 -0.37 0.09 0.00 0.00 178.44 178.17 2wh8 h VAL 104 N -0.52 0.97 0.00 1.22 -1.51 -1.22 -3.04 116.25 112.14 2wh8 h VAL 104 Ca -0.01 -1.41 -0.01 0.00 -1.23 0.00 0.00 66.70 64.05 2wh8 h VAL 104 Cb 0.47 1.83 -0.00 0.00 -2.13 0.00 0.00 31.29 31.46 2wh8 h VAL 104 CO 0.01 0.36 -0.05 0.77 -1.23 0.00 0.00 177.57 177.43 2wh8 h SER 105 N 0.00 0.00 -0.00 4.19 4.64 -1.14 0.15 113.55 121.39 2wh8 h SER 105 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wh8 h SER 105 Cb 0.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2wh8 h SER 105 CO 0.05 0.05 0.02 0.03 -0.87 0.00 0.00 176.83 176.10 2wh8 h ARG 106 N 0.00 0.00 -0.24 4.77 3.08 -1.61 0.61 114.38 121.00 2wh8 h ARG 106 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wh8 h ARG 106 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2wh8 h ARG 106 CO 0.01 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 2wh8 n GLY 107 N -1.11 0.57 2.74 0.04 0.00 0.53 -4.56 105.19 103.40 2wh8 n GLY 107 Ca -0.03 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.26 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 0.53 2.92 -4.52 1.61 3.72 0.21 -4.46 117.46 117.46 2wh8 n PHE 108 Ca 0.16 -4.18 -0.26 0.00 -0.05 0.00 0.00 57.45 53.12 2wh8 n PHE 108 Cb 0.36 -0.53 -0.10 0.00 -0.94 0.00 0.00 39.48 38.27 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 -1.57 2.26 0.31 4.37 -4.23 -1.26 -5.01 115.64 110.51 2wh8 s THR 109 Ca 0.29 -2.15 0.06 0.00 -1.18 0.00 0.00 61.69 58.71 2wh8 s THR 109 Cb 0.01 -2.72 0.30 0.00 1.34 0.00 0.00 72.50 71.44 2wh8 s THR 109 CO -0.14 -0.17 1.81 -0.65 -0.54 0.00 0.00 174.62 174.93 2wh8 h PRO 110 N 1.96 0.78 -0.71 3.99 0.11 -1.99 -1.25 132.00 134.88 2wh8 h PRO 110 Ca -0.42 -0.05 0.14 0.00 0.11 0.00 0.00 66.00 65.78 2wh8 h PRO 110 Cb 1.25 -0.18 -0.10 0.00 0.11 0.00 0.00 31.00 32.08 2wh8 h PRO 110 CO 0.71 0.51 0.20 0.00 -0.21 0.00 0.00 178.00 179.22 2wh8 h ARG 111 N 0.80 0.30 -0.29 1.05 -0.00 -1.99 -1.15 114.38 113.10 2wh8 h ARG 111 Ca 0.53 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.98 59.91 2wh8 h ARG 111 Cb 0.78 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.67 2wh8 h ARG 111 CO -0.31 0.20 -0.18 1.96 0.00 0.00 0.00 179.97 181.64 2wh8 h GLN 112 N 0.31 0.52 -0.02 0.04 7.50 -1.56 -1.43 115.11 120.48 2wh8 h GLN 112 Ca 0.39 -0.17 -0.23 0.00 0.50 0.00 0.00 58.65 59.14 2wh8 h GLN 112 Cb 0.63 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 28.12 2wh8 h GLN 112 CO -0.45 0.68 -0.92 -0.24 -1.50 0.00 0.00 178.83 176.39 2wh8 h VAL 113 N 0.47 1.37 -0.50 -0.54 3.04 -1.34 -3.28 116.25 115.47 2wh8 h VAL 113 Ca 0.08 -2.35 -0.06 0.00 -1.01 0.00 0.00 66.70 63.36 2wh8 h VAL 113 Cb 0.58 2.35 -0.02 0.00 -2.01 0.00 0.00 31.29 32.18 2wh8 h VAL 113 CO 0.04 0.71 0.08 -0.33 -1.01 0.00 0.00 177.57 177.06 2wh8 h GLU 114 N 0.28 0.78 0.00 4.17 5.08 -0.88 -2.84 114.58 121.17 2wh8 h GLU 114 Ca -0.08 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 2wh8 h GLU 114 Cb 1.55 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 2wh8 h GLU 114 CO 0.16 0.73 -0.40 1.79 -1.00 0.00 0.00 179.01 180.30 2wh8 h THR 115 N 0.74 0.99 0.00 1.13 1.35 -1.33 -3.01 112.91 112.79 2wh8 h THR 115 Ca 0.16 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 2wh8 h THR 115 Cb 0.34 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.66 2wh8 h THR 115 CO 0.01 0.39 -0.95 0.55 -0.25 0.00 0.00 175.52 175.26 2wh8 n VAL 116 N -3.64 0.04 -0.20 6.82 3.14 -1.19 -4.57 118.33 118.73 2wh8 n VAL 116 Ca -0.01 -0.08 -0.02 0.00 -2.96 0.00 0.00 64.34 61.27 2wh8 n VAL 116 Cb 0.50 0.60 0.09 0.00 -1.06 0.00 0.00 33.84 33.96 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 0.50 -0.81 1.45 4.81 -1.35 -1.16 114.58 118.01 2wh8 h GLU 117 Ca 0.00 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 2wh8 h GLU 117 Cb 0.58 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.80 2wh8 h GLU 117 CO 0.00 0.33 0.53 -1.35 -0.73 0.00 0.00 179.01 177.79 2wh8 h PRO 118 N 0.51 0.83 -0.33 0.92 0.11 -1.80 -1.04 132.00 131.19 2wh8 h PRO 118 Ca 0.28 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.19 2wh8 h PRO 118 Cb 0.25 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 2wh8 h PRO 118 CO -0.22 0.55 -0.37 1.15 -0.21 0.00 0.00 178.00 178.90 2wh8 h THR 119 N 0.86 1.28 -0.27 -1.15 2.02 -1.53 -2.01 112.91 112.12 2wh8 h THR 119 Ca 0.35 -1.54 -0.03 0.00 0.77 0.00 0.00 66.41 65.96 2wh8 h THR 119 Cb 0.27 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2wh8 h THR 119 CO -0.13 0.50 0.04 0.58 0.37 0.00 0.00 175.52 176.89 2wh8 h VAL 120 N 0.65 1.23 -0.40 3.16 2.07 -0.67 -2.63 116.25 119.65 2wh8 h VAL 120 Ca 0.06 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.81 2wh8 h VAL 120 Cb 0.92 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2wh8 h VAL 120 CO 0.08 0.25 0.25 -0.09 0.02 0.00 0.00 177.57 178.09 2wh8 h ARG 121 N 0.26 0.49 -0.42 1.57 2.43 -1.12 -1.19 114.38 116.40 2wh8 h ARG 121 Ca 0.08 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2wh8 h ARG 121 Cb 0.33 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 2wh8 h ARG 121 CO 0.01 0.33 0.11 -0.22 -1.51 0.00 0.00 179.97 178.68 2wh8 h LYS 122 N 0.51 0.25 -0.38 0.20 3.64 -1.31 -1.64 116.57 117.83 2wh8 h LYS 122 Ca 0.15 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2wh8 h LYS 122 Cb -0.03 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2wh8 h LYS 122 CO -0.05 0.17 0.20 0.35 -2.27 0.00 0.00 179.45 177.84 2wh8 h PHE 123 N 0.26 0.53 -0.13 1.91 3.57 -1.23 -1.85 116.94 120.00 2wh8 h PHE 123 Ca 0.20 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.71 2wh8 h PHE 123 Cb 0.22 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 2wh8 h PHE 123 CO -0.18 0.42 -0.04 0.28 -2.23 0.00 0.00 178.31 176.56 2wh8 h VAL 124 N 0.48 0.85 -0.21 1.41 2.07 -0.87 -1.89 116.25 118.09 2wh8 h VAL 124 Ca 0.13 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.70 2wh8 h VAL 124 Cb 0.08 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 2wh8 h VAL 124 CO -0.02 0.00 -0.13 0.58 0.02 0.00 0.00 177.57 178.02 2wh8 h VAL 125 N -0.02 0.61 -0.93 2.57 2.07 -1.23 0.19 116.25 119.51 2wh8 h VAL 125 Ca 0.07 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.72 2wh8 h VAL 125 Cb 0.12 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 2wh8 h VAL 125 CO -0.14 0.00 0.59 -0.08 0.02 0.00 0.00 177.57 177.96 2wh8 h GLU 126 N -0.12 0.78 0.15 1.57 4.81 -1.09 0.40 114.58 121.08 2wh8 h GLU 126 Ca 0.12 -0.05 -0.33 0.00 -0.13 0.00 0.00 59.36 58.97 2wh8 h GLU 126 Cb 0.30 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 2wh8 h GLU 126 CO -0.29 0.51 -1.69 0.00 -0.73 0.00 0.00 179.01 176.82 2wh8 h ARG 127 N 0.80 0.32 -0.96 1.92 2.47 -0.54 -1.78 114.38 116.61 2wh8 h ARG 127 Ca 0.47 -0.55 0.01 0.00 -1.26 0.00 0.00 59.98 58.64 2wh8 h ARG 127 Cb 0.64 0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 29.12 2wh8 h ARG 127 CO -0.23 1.21 0.62 -0.07 0.56 0.00 0.00 179.97 182.06 2wh8 h LEU 128 N 0.09 1.11 -0.92 3.04 3.38 -0.31 -0.11 115.31 121.58 2wh8 h LEU 128 Ca -0.31 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.52 2wh8 h LEU 128 Cb 2.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.52 2wh8 h LEU 128 CO 0.16 0.81 -0.29 -0.33 0.09 0.00 0.00 178.44 178.88 2wh8 h GLU 129 N 1.30 0.44 -0.16 1.13 4.39 -0.24 -0.55 114.58 120.89 2wh8 h GLU 129 Ca 0.35 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 2wh8 h GLU 129 Cb -0.13 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 2wh8 h GLU 129 CO -0.07 0.69 0.04 0.87 -1.16 0.00 0.00 179.01 179.38 2wh8 h LYS 130 N 0.38 0.26 -0.18 2.33 6.56 -0.90 -1.77 116.57 123.26 2wh8 h LYS 130 Ca 0.05 -0.06 0.03 0.00 -1.06 0.00 0.00 60.65 59.61 2wh8 h LYS 130 Cb 0.71 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.31 2wh8 h LYS 130 CO 0.05 0.40 0.00 -0.07 -2.06 0.00 0.00 179.45 177.78 2wh8 h LEU 131 N 0.08 -0.06 -0.42 2.94 3.38 -0.92 -2.70 115.31 117.61 2wh8 h LEU 131 Ca 0.05 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.13 2wh8 h LEU 131 Cb 0.25 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2wh8 h LEU 131 CO 0.00 -0.01 0.05 0.03 0.09 0.00 0.00 178.44 178.60 2wh8 h ARG 132 N 0.06 0.16 -0.58 1.13 3.08 -1.06 0.38 114.38 117.55 2wh8 h ARG 132 Ca 0.08 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.23 2wh8 h ARG 132 Cb 0.10 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2wh8 h ARG 132 CO -0.14 0.11 0.40 0.00 -1.07 0.00 0.00 179.97 179.26 2wh8 h ALA 133 N 1.34 2.11 -0.44 0.04 0.00 -1.05 -1.62 119.26 119.64 2wh8 h ALA 133 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wh8 h ALA 133 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wh8 h ALA 133 CO -0.30 -0.25 0.00 0.09 0.00 0.00 0.00 179.25 178.79 2wh8 n ASN 134 N -4.46 3.51 -0.61 0.00 3.02 -0.77 -4.93 115.26 111.03 2wh8 n ASN 134 Ca 0.10 -1.99 -0.08 0.00 -0.03 0.00 0.00 54.58 52.58 2wh8 n ASN 134 Cb 0.42 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 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 1.53 0.98 0.00 7.41 0.00 -0.61 -4.85 105.19 109.66 2wh8 n GLY 135 Ca 0.20 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.79 0.71 0.00 -0.02 0.00 0.13 -2.88 105.19 101.35 2wh8 n GLY 136 Ca -0.08 -2.12 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 -0.57 3.55 -0.02 0.00 -0.31 -4.70 105.19 103.14 2wh8 n GLY 137 Ca 0.00 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 6.40 0.46 1.61 -1.08 -1.26 -0.29 116.67 118.51 2wh8 s ASP 138 Ca 0.00 -0.00 0.30 0.00 -0.52 0.00 0.00 52.55 52.33 2wh8 s ASP 138 Cb 0.00 -2.33 1.15 0.00 -1.46 0.00 0.00 42.92 40.28 2wh8 s ASP 138 CO 0.00 -0.69 1.87 -0.29 0.52 0.00 0.00 175.17 176.59 2wh8 h ILE 139 N 5.77 0.00 0.21 4.11 2.10 -1.77 -0.80 117.51 127.13 2wh8 h ILE 139 Ca -0.26 -0.49 -0.01 0.00 1.08 0.00 0.00 64.86 65.18 2wh8 h ILE 139 Cb 1.10 1.43 0.00 0.00 -1.09 0.00 0.00 36.82 38.26 2wh8 h ILE 139 CO 0.87 0.00 -0.10 0.58 -1.08 0.00 0.00 178.15 178.42 2wh8 h VAL 140 N 0.00 0.00 -0.70 2.19 2.07 -1.90 -0.44 116.25 117.47 2wh8 h VAL 140 Ca 0.00 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.03 2wh8 h VAL 140 Cb 0.53 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2wh8 h VAL 140 CO 0.00 0.00 0.46 0.71 0.02 0.00 0.00 177.57 178.76 2wh8 h THR 141 N -0.81 1.10 0.00 2.57 1.35 -1.77 0.79 112.91 116.14 2wh8 h THR 141 Ca -0.03 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2wh8 h THR 141 Cb 0.21 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 2wh8 h THR 141 CO 0.05 0.15 -0.50 -0.33 -0.25 0.00 0.00 175.52 174.65 2wh8 h GLU 142 N 0.84 0.00 0.00 4.72 4.39 -1.29 -3.42 114.58 119.82 2wh8 h GLU 142 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2wh8 h GLU 142 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2wh8 h GLU 142 CO -0.08 0.00 0.00 -0.11 -1.16 0.00 0.00 179.01 177.66 2wh8 n LEU 143 N -2.78 -0.48 0.12 1.33 7.94 -0.89 -4.84 117.00 117.40 2wh8 n LEU 143 Ca 0.02 0.29 -0.02 0.00 -1.11 0.00 0.00 56.01 55.19 2wh8 n LEU 143 Cb 0.52 0.59 0.08 0.00 0.53 0.00 0.00 43.42 45.15 2wh8 n LEU 143 CO 0.37 -0.54 0.40 -0.26 -1.11 0.00 0.00 177.39 176.24 2wh8 h PHE 144 N 0.00 0.00 0.58 1.96 0.04 -0.54 -2.01 116.94 116.98 2wh8 h PHE 144 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2wh8 h PHE 144 Cb 0.00 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.16 2wh8 h PHE 144 CO 0.00 0.71 -0.28 -0.22 -0.60 0.00 0.00 178.31 177.91 2wh8 h LYS 145 N 0.00 -0.76 -0.10 1.51 3.64 -1.10 -3.38 116.57 116.38 2wh8 h LYS 145 Ca -0.01 0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 2wh8 h LYS 145 Cb 1.32 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.30 2wh8 h LYS 145 CO 0.09 -0.50 -0.40 -1.00 -2.27 0.00 0.00 179.45 175.37 2wh8 h PRO 146 N -0.91 0.22 -0.23 1.90 0.13 -1.76 -3.36 132.00 128.00 2wh8 h PRO 146 Ca -0.08 -0.10 0.06 0.00 -0.87 0.00 0.00 66.00 65.01 2wh8 h PRO 146 Cb 0.60 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.66 2wh8 h PRO 146 CO 0.13 0.59 -0.25 1.25 -0.23 0.00 0.00 178.00 179.49 2wh8 h LEU 147 N 0.19 -0.81 -1.77 1.56 5.85 -1.55 -2.80 115.31 115.97 2wh8 h LEU 147 Ca 0.02 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2wh8 h LEU 147 Cb 0.79 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 2wh8 h LEU 147 CO 0.06 -0.29 -0.16 -0.65 -0.34 0.00 0.00 178.44 177.06 2wh8 h PRO 148 N -0.27 0.00 -0.89 5.25 0.10 -1.77 -2.34 132.00 132.07 2wh8 h PRO 148 Ca 0.13 0.00 -0.00 0.00 0.10 0.00 0.00 66.00 66.23 2wh8 h PRO 148 Cb 0.47 0.00 -0.04 0.00 0.10 0.00 0.00 31.00 31.53 2wh8 h PRO 148 CO -0.39 0.16 0.54 1.03 0.10 0.00 0.00 178.00 179.44 2wh8 h SER 149 N 0.00 1.07 -0.63 -2.05 0.87 -1.70 -1.21 113.55 109.90 2wh8 h SER 149 Ca -0.00 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 2wh8 h SER 149 Cb 0.33 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 2wh8 h SER 149 CO 0.02 0.82 0.30 0.24 -0.53 0.00 0.00 176.83 177.68 2wh8 h MET 150 N 1.23 0.94 -0.27 2.24 2.86 -1.50 -0.42 114.93 120.01 2wh8 h MET 150 Ca 0.32 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.76 2wh8 h MET 150 Cb -0.05 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 2wh8 h MET 150 CO -0.06 0.75 -0.11 0.28 1.06 0.00 0.00 176.91 178.83 2wh8 h VAL 151 N 0.94 1.29 -0.46 -2.22 2.07 -1.38 -1.88 116.25 114.60 2wh8 h VAL 151 Ca 0.23 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.62 2wh8 h VAL 151 Cb 0.13 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 2wh8 h VAL 151 CO -0.03 0.37 0.22 0.58 0.02 0.00 0.00 177.57 178.74 2wh8 h VAL 152 N 0.30 0.95 -0.52 2.57 2.07 -1.09 -1.44 116.25 119.08 2wh8 h VAL 152 Ca 0.06 -0.15 0.10 0.00 0.82 0.00 0.00 66.70 67.53 2wh8 h VAL 152 Cb 0.61 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 2wh8 h VAL 152 CO 0.04 0.08 0.02 0.00 0.02 0.00 0.00 177.57 177.73 2wh8 h ALA 153 N 1.26 0.52 -0.42 1.67 0.00 -0.91 -0.03 119.26 121.34 2wh8 h ALA 153 Ca 0.20 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.30 2wh8 h ALA 153 Cb 0.13 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2wh8 h ALA 153 CO -0.15 -0.37 0.18 1.25 0.00 0.00 0.00 179.25 180.15 2wh8 h HIS 154 N 0.14 0.33 0.00 0.00 6.17 -1.04 -1.07 115.15 119.67 2wh8 h HIS 154 Ca 0.27 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.33 2wh8 h HIS 154 Cb 0.40 -0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.24 2wh8 h HIS 154 CO -0.31 0.15 -0.17 1.88 0.71 0.00 0.00 177.93 180.20 2wh8 h TYR 155 N 0.37 0.00 -0.10 5.26 -1.99 -0.25 -2.18 116.97 118.09 2wh8 h TYR 155 Ca 0.19 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.92 2wh8 h TYR 155 Cb 0.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.86 2wh8 h TYR 155 CO -0.12 0.17 0.00 1.28 -0.00 0.00 0.00 178.16 179.48 2wh8 n LEU 156 N -3.63 1.54 -1.62 3.88 4.77 -0.12 -3.12 117.00 118.69 2wh8 n LEU 156 Ca -0.01 -0.59 -0.15 0.00 -0.03 0.00 0.00 56.01 55.23 2wh8 n LEU 156 Cb 0.30 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2wh8 n LEU 156 CO 0.32 0.29 -0.18 0.61 -1.33 0.00 0.00 177.39 177.10 2wh8 n GLY 157 N 1.14 0.02 3.68 -0.72 0.00 -0.82 -4.63 105.19 103.86 2wh8 n GLY 157 Ca 0.17 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.72 4.59 0.34 1.61 1.01 -0.46 -4.99 120.40 119.78 2wh8 s VAL 158 Ca 0.00 1.89 -0.29 0.00 0.00 0.00 0.00 61.98 63.58 2wh8 s VAL 158 Cb 0.00 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.05 2wh8 s VAL 158 CO 0.00 -0.06 1.52 -2.84 0.00 0.00 0.00 175.10 173.72 2wh8 s PRO 159 N 2.54 4.12 0.59 2.72 0.02 -1.26 -4.57 135.00 139.17 2wh8 s PRO 159 Ca 0.49 2.56 0.29 0.00 0.02 0.00 0.00 61.00 64.36 2wh8 s PRO 159 Cb -0.19 -3.00 1.44 0.00 0.02 0.00 0.00 34.50 32.77 2wh8 s PRO 159 CO 0.15 -0.56 1.85 1.49 -0.33 0.00 0.00 177.00 179.60 2wh8 h GLU 160 N 3.79 0.00 0.00 5.54 4.81 -1.97 0.38 114.58 127.13 2wh8 h GLU 160 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2wh8 h GLU 160 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2wh8 h GLU 160 CO 0.70 0.00 0.00 1.05 -0.73 0.00 0.00 179.01 180.03 2wh8 h GLU 161 N 0.00 0.00 -0.02 1.92 4.11 -2.03 -2.62 114.58 115.93 2wh8 h GLU 161 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 2wh8 h GLU 161 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2wh8 h GLU 161 CO -0.00 0.00 -0.04 -0.25 0.07 0.00 0.00 179.01 178.79 2wh8 n ASP 162 N -2.98 2.52 -0.07 3.06 8.00 0.13 -4.53 116.55 122.68 2wh8 n ASP 162 Ca 0.01 -1.82 0.00 0.00 0.71 0.00 0.00 54.79 53.70 2wh8 n ASP 162 Cb 0.33 0.04 0.30 0.00 -0.02 0.00 0.00 41.12 41.77 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 3.89 0.67 -0.26 1.24 4.06 -1.50 -0.33 115.95 123.72 2wh8 h TRP 163 Ca 0.00 -0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.86 2wh8 h TRP 163 Cb 0.85 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.79 2wh8 h TRP 163 CO 0.00 0.53 -0.07 1.15 -3.56 0.00 0.00 178.44 176.49 2wh8 h THR 164 N 0.67 1.28 -0.47 1.49 2.02 -1.80 0.95 112.91 117.04 2wh8 h THR 164 Ca 0.16 -1.09 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 2wh8 h THR 164 Cb 0.14 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 2wh8 h THR 164 CO -0.02 0.34 0.06 -0.61 0.37 0.00 0.00 175.52 175.67 2wh8 h GLN 165 N 0.25 0.79 -0.87 6.66 4.15 -1.77 -1.17 115.11 123.15 2wh8 h GLN 165 Ca 0.07 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.26 2wh8 h GLN 165 Cb 0.54 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.10 2wh8 h GLN 165 CO 0.03 0.81 0.54 0.35 -1.93 0.00 0.00 178.83 178.63 2wh8 h PHE 166 N 0.66 1.12 -0.48 3.99 3.57 -1.00 -1.78 116.94 123.02 2wh8 h PHE 166 Ca 0.14 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 2wh8 h PHE 166 Cb 0.41 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2wh8 h PHE 166 CO 0.03 0.73 0.03 0.22 -2.23 0.00 0.00 178.31 177.09 2wh8 h ASP 167 N 1.18 0.74 -0.15 0.41 3.58 -0.49 0.43 116.42 122.13 2wh8 h ASP 167 Ca 0.31 -0.16 0.04 0.00 0.42 0.00 0.00 57.03 57.64 2wh8 h ASP 167 Cb -0.08 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.74 2wh8 h ASP 167 CO -0.06 0.79 -0.07 1.23 -2.88 0.00 0.00 179.24 178.24 2wh8 h GLY 168 N 0.96 0.06 1.02 -0.78 0.00 -0.66 -1.18 103.07 102.48 2wh8 h GLY 168 Ca 0.15 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.53 2wh8 h GLY 168 CO 0.01 -0.09 0.24 1.49 0.00 0.00 0.00 176.54 178.19 2wh8 h TRP 169 N -0.06 1.02 -0.10 5.60 6.55 -1.00 -3.07 115.95 124.90 2wh8 h TRP 169 Ca 0.08 -0.09 0.02 0.00 0.95 0.00 0.00 58.89 59.86 2wh8 h TRP 169 Cb 0.19 -0.30 -0.02 0.00 -0.86 0.00 0.00 29.16 28.16 2wh8 h TRP 169 CO -0.22 0.81 -0.02 1.15 -1.05 0.00 0.00 178.44 179.12 2wh8 h THR 170 N 0.94 0.90 -0.73 1.49 2.02 -0.65 -2.23 112.91 114.65 2wh8 h THR 170 Ca 0.22 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.41 2wh8 h THR 170 Cb 0.24 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 2wh8 h THR 170 CO -0.01 0.00 0.48 1.56 0.37 0.00 0.00 175.52 177.92 2wh8 h GLN 171 N 0.01 0.94 -0.37 6.66 1.08 -1.20 0.11 115.11 122.32 2wh8 h GLN 171 Ca 0.05 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 2wh8 h GLN 171 Cb 0.07 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 2wh8 h GLN 171 CO -0.10 0.62 -0.01 0.00 -0.95 0.00 0.00 178.83 178.39 2wh8 h ALA 172 N 1.55 0.51 -0.03 3.87 0.00 -1.39 -2.22 119.26 121.54 2wh8 h ALA 172 Ca 0.27 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wh8 h ALA 172 Cb -0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2wh8 h ALA 172 CO -0.06 0.29 -0.00 0.82 0.00 0.00 0.00 179.25 180.30 2wh8 h ILE 173 N 0.49 1.25 -0.93 0.00 2.04 -0.81 -1.87 117.51 117.68 2wh8 h ILE 173 Ca 0.10 -0.76 0.05 0.00 1.00 0.00 0.00 64.86 65.25 2wh8 h ILE 173 Cb 0.48 1.71 -0.06 0.00 -0.74 0.00 0.00 36.82 38.22 2wh8 h ILE 173 CO 0.02 0.20 0.61 0.58 0.00 0.00 0.00 178.15 179.56 2wh8 h VAL 174 N -0.25 1.12 -0.38 1.67 2.07 -0.99 0.35 116.25 119.84 2wh8 h VAL 174 Ca 0.01 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 2wh8 h VAL 174 Cb 0.33 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2wh8 h VAL 174 CO 0.00 0.20 0.02 0.00 0.02 0.00 0.00 177.57 177.82 2wh8 h ALA 175 N 1.48 0.51 -0.73 1.67 0.00 -1.30 -2.90 119.26 117.98 2wh8 h ALA 175 Ca 0.39 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2wh8 h ALA 175 Cb 0.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2wh8 h ALA 175 CO -0.13 0.26 0.48 0.00 0.00 0.00 0.00 179.25 179.86 2wh8 h ALA 176 N 0.89 1.52 0.00 0.00 0.00 -0.48 -2.18 119.26 119.01 2wh8 h ALA 176 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wh8 h ALA 176 Cb 0.43 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2wh8 h ALA 176 CO 0.02 0.43 0.00 0.27 0.00 0.00 0.00 179.25 179.96 2wh8 n ASN 177 N -4.44 0.00 0.02 0.00 6.94 0.03 -4.99 115.26 112.83 2wh8 n ASN 177 Ca 0.09 -0.14 0.07 0.00 -0.02 0.00 0.00 54.58 54.57 2wh8 n ASN 177 Cb 0.07 -0.25 0.49 0.00 -2.36 0.00 0.00 39.78 37.73 2wh8 n ASN 177 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wh8 h ALA 178 N 3.18 1.86 0.00 -2.53 0.00 -1.32 -3.50 119.26 116.95 2wh8 h ALA 178 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wh8 h ALA 178 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wh8 h ALA 178 CO 0.00 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.75 2wh8 n GLY 185 N -1.50 1.59 2.60 0.00 0.00 -1.26 -3.84 105.19 102.77 2wh8 n GLY 185 Ca 0.04 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 3.80 -0.25 4.61 0.00 -1.26 -4.81 120.51 122.60 2wh8 n ALA 186 Ca 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 53.44 50.01 2wh8 n ALA 186 Cb 0.00 -0.80 0.09 0.00 0.00 0.00 0.00 19.45 18.75 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 2.80 0.66 -0.36 0.00 4.07 -1.99 0.14 115.31 120.62 2wh8 h LEU 187 Ca 0.02 0.02 -0.09 0.00 0.08 0.00 0.00 57.88 57.91 2wh8 h LEU 187 Cb 1.15 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.76 2wh8 h LEU 187 CO 0.56 0.44 -0.11 0.44 -1.08 0.00 0.00 178.44 178.68 2wh8 h ASP 188 N 0.79 0.72 -0.38 -0.43 3.32 -1.99 -0.81 116.42 117.64 2wh8 h ASP 188 Ca 0.30 -0.38 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 2wh8 h ASP 188 Cb 0.11 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2wh8 h ASP 188 CO -0.15 0.93 -0.04 0.00 -1.72 0.00 0.00 179.24 178.26 2wh8 h ALA 189 N 0.81 1.06 -0.08 3.45 0.00 -1.65 -0.06 119.26 122.79 2wh8 h ALA 189 Ca 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2wh8 h ALA 189 Cb 0.63 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2wh8 h ALA 189 CO 0.04 0.59 0.03 0.28 0.00 0.00 0.00 179.25 180.18 2wh8 h VAL 190 N 0.73 1.16 -0.23 0.00 2.07 -0.65 -0.74 116.25 118.59 2wh8 h VAL 190 Ca 0.14 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.21 2wh8 h VAL 190 Cb 0.51 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 2wh8 h VAL 190 CO 0.03 0.14 -0.03 1.23 0.02 0.00 0.00 177.57 178.96 2wh8 h GLY 191 N -0.06 0.19 0.86 2.17 0.00 -0.90 0.12 103.07 105.45 2wh8 h GLY 191 Ca 0.02 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.43 2wh8 h GLY 191 CO -0.00 -0.07 0.17 1.76 0.00 0.00 0.00 176.54 178.40 2wh8 h SER 192 N 0.03 0.25 -0.57 0.19 0.02 -0.86 -0.36 113.55 112.26 2wh8 h SER 192 Ca 0.11 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 2wh8 h SER 192 Cb 0.15 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2wh8 h SER 192 CO -0.21 0.19 -0.05 -0.03 -1.14 0.00 0.00 176.83 175.60 2wh8 h MET 193 N 0.35 1.05 -0.44 3.45 4.05 -0.76 -0.20 114.93 122.42 2wh8 h MET 193 Ca 0.14 -0.35 -0.02 0.00 -0.28 0.00 0.00 59.70 59.18 2wh8 h MET 193 Cb 0.04 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 2wh8 h MET 193 CO -0.09 1.05 0.19 0.52 0.23 0.00 0.00 176.91 178.80 2wh8 h MET 194 N 0.95 0.65 -0.27 0.39 2.07 -0.50 0.60 114.93 118.83 2wh8 h MET 194 Ca 0.16 -0.11 -0.01 0.00 -2.07 0.00 0.00 59.70 57.66 2wh8 h MET 194 Cb 0.61 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.22 2wh8 h MET 194 CO 0.04 0.59 0.12 0.00 1.07 0.00 0.00 176.91 178.73 2wh8 h ALA 195 N 1.03 0.34 -0.01 6.32 0.00 -0.83 -1.05 119.26 125.06 2wh8 h ALA 195 Ca 0.15 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wh8 h ALA 195 Cb 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wh8 h ALA 195 CO -0.01 -0.08 0.01 -0.92 0.00 0.00 0.00 179.25 178.24 2wh8 h TYR 196 N 0.29 0.01 -0.37 0.00 3.20 -0.88 -2.52 116.97 116.70 2wh8 h TYR 196 Ca 0.09 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 2wh8 h TYR 196 Cb 0.15 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 2wh8 h TYR 196 CO -0.01 0.08 -0.11 0.74 -1.64 0.00 0.00 178.16 177.22 2wh8 h PHE 197 N -0.06 0.71 -0.83 -3.82 0.04 -0.82 -1.01 116.94 111.14 2wh8 h PHE 197 Ca 0.00 -0.12 0.05 0.00 2.80 0.00 0.00 57.97 60.70 2wh8 h PHE 197 Cb 0.07 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 37.98 2wh8 h PHE 197 CO -0.05 0.74 0.52 1.15 -0.60 0.00 0.00 178.31 180.06 2wh8 h THR 198 N 0.60 1.07 -0.44 -1.55 2.02 -1.05 0.18 112.91 113.74 2wh8 h THR 198 Ca 0.11 -0.33 -0.12 0.00 0.77 0.00 0.00 66.41 66.83 2wh8 h THR 198 Cb 0.54 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2wh8 h THR 198 CO 0.03 0.18 -0.21 1.23 0.37 0.00 0.00 175.52 177.12 2wh8 h GLY 199 N 0.97 0.95 1.21 2.16 0.00 -0.98 -2.41 103.07 104.98 2wh8 h GLY 199 Ca 0.35 -0.82 -0.15 0.00 0.00 0.00 0.00 47.33 46.71 2wh8 h GLY 199 CO -0.15 0.74 -0.35 -2.00 0.00 0.00 0.00 176.54 174.79 2wh8 h LEU 200 N 0.76 0.92 -0.46 3.11 5.85 -0.44 -1.55 115.31 123.51 2wh8 h LEU 200 Ca 0.10 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.45 2wh8 h LEU 200 Cb 0.75 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2wh8 h LEU 200 CO 0.06 1.17 0.25 0.40 -0.34 0.00 0.00 178.44 179.99 2wh8 h ILE 201 N 0.73 1.01 -0.58 4.05 2.04 -0.65 0.23 117.51 124.34 2wh8 h ILE 201 Ca 0.07 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.82 2wh8 h ILE 201 Cb 0.92 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 2wh8 h ILE 201 CO 0.08 0.09 0.27 -0.08 0.00 0.00 0.00 178.15 178.52 2wh8 h GLU 202 N 0.50 0.50 -0.65 2.37 4.81 -1.20 -2.87 114.58 118.03 2wh8 h GLU 202 Ca 0.19 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 2wh8 h GLU 202 Cb 0.06 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 2wh8 h GLU 202 CO -0.11 0.33 0.19 -0.09 -0.73 0.00 0.00 179.01 178.60 2wh8 h ARG 203 N 0.51 1.01 0.00 1.92 2.43 -0.52 -2.37 114.38 117.36 2wh8 h ARG 203 Ca 0.27 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2wh8 h ARG 203 Cb 0.23 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2wh8 h ARG 203 CO -0.21 0.87 0.00 0.54 -1.51 0.00 0.00 179.97 179.66 2wh8 n ARG 204 N -4.26 0.09 -0.32 0.20 5.12 0.00 -1.21 116.66 116.27 2wh8 n ARG 204 Ca 0.05 0.39 -0.05 0.00 -1.93 0.00 0.00 57.85 56.31 2wh8 n ARG 204 Cb 0.23 -1.69 0.08 0.00 -1.16 0.00 0.00 32.46 29.92 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 1.23 0.00 5.56 3.08 -1.40 -3.23 114.38 119.62 2wh8 h ARG 205 Ca 0.00 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2wh8 h ARG 205 Cb 0.23 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2wh8 h ARG 205 CO 0.00 0.93 -1.47 0.25 -1.07 0.00 0.00 179.97 178.61 2wh8 n THR 206 N -4.32 0.00 -3.57 2.04 -2.24 -0.92 -4.73 114.28 100.54 2wh8 n THR 206 Ca 0.09 -0.30 -0.27 0.00 -2.27 0.00 0.00 64.05 61.29 2wh8 n THR 206 Cb 0.13 0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.88 1.28 -2.08 -0.78 1.02 -0.35 -5.11 120.64 112.75 2wh8 n GLU 207 Ca -0.02 -3.94 -0.37 0.00 -0.02 0.00 0.00 57.16 52.81 2wh8 n GLU 207 Cb 0.36 -1.95 0.01 0.00 -0.02 0.00 0.00 31.44 29.85 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 -1.11 3.41 0.00 3.49 0.04 -1.22 -4.41 135.00 135.20 2wh8 s PRO 208 Ca 0.31 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2wh8 s PRO 208 Cb 0.04 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2wh8 s PRO 208 CO -0.15 -0.88 0.00 0.00 0.04 0.00 0.00 177.00 176.02 2wh8 n ALA 209 N -0.90 0.00 1.11 8.56 0.00 -1.26 -5.05 120.51 122.97 2wh8 n ALA 209 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.66 2wh8 n ALA 209 Cb 0.48 0.00 0.23 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 -0.92 2.58 -4.74 0.00 8.00 -1.26 -4.64 116.55 115.56 2wh8 n ASP 210 Ca 0.00 -1.85 -0.29 0.00 0.71 0.00 0.00 54.79 53.36 2wh8 n ASP 210 Cb 0.00 -0.01 0.11 0.00 -0.02 0.00 0.00 41.12 41.20 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 -1.97 4.23 0.22 -2.24 -4.77 -1.26 -4.40 116.67 106.47 2wh8 s ASP 211 Ca 0.31 0.65 -0.09 0.00 -3.30 0.00 0.00 52.55 50.12 2wh8 s ASP 211 Cb 0.20 -1.06 0.18 0.00 -1.09 0.00 0.00 42.92 41.16 2wh8 s ASP 211 CO 0.31 -2.06 1.88 0.00 0.70 0.00 0.00 175.17 176.00 2wh8 h ALA 212 N -1.15 1.00 -0.10 2.11 0.00 -1.76 -1.14 119.26 118.22 2wh8 h ALA 212 Ca -0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2wh8 h ALA 212 Cb 1.31 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2wh8 h ALA 212 CO 0.60 0.38 0.02 0.82 0.00 0.00 0.00 179.25 181.07 2wh8 h ILE 213 N 1.03 1.20 -0.84 0.00 2.04 -1.82 -1.85 117.51 117.28 2wh8 h ILE 213 Ca 0.29 -0.63 0.16 0.00 1.00 0.00 0.00 64.86 65.68 2wh8 h ILE 213 Cb -0.08 1.43 -0.10 0.00 -0.74 0.00 0.00 36.82 37.33 2wh8 h ILE 213 CO -0.08 0.18 0.41 0.28 0.00 0.00 0.00 178.15 178.94 2wh8 h SER 214 N -0.05 0.46 -0.73 1.72 0.02 -1.81 -1.47 113.55 111.69 2wh8 h SER 214 Ca 0.03 0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 2wh8 h SER 214 Cb 0.26 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 2wh8 h SER 214 CO 0.00 0.17 0.24 0.45 -1.14 0.00 0.00 176.83 176.56 2wh8 h HIS 215 N 0.56 1.16 -0.27 3.45 3.86 -0.66 -0.44 115.15 122.80 2wh8 h HIS 215 Ca 0.47 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.56 2wh8 h HIS 215 Cb 0.70 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2wh8 h HIS 215 CO -0.11 0.91 0.14 -0.07 0.86 0.00 0.00 177.93 179.66 2wh8 h LEU 216 N 1.07 0.34 -0.56 2.43 3.38 -0.59 -2.94 115.31 118.43 2wh8 h LEU 216 Ca 0.24 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2wh8 h LEU 216 Cb 0.28 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2wh8 h LEU 216 CO -0.01 0.34 0.29 0.58 0.09 0.00 0.00 178.44 179.73 2wh8 h VAL 217 N 0.32 1.19 -0.02 1.22 2.07 -1.04 -1.43 116.25 118.57 2wh8 h VAL 217 Ca 0.10 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.10 2wh8 h VAL 217 Cb 0.08 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2wh8 h VAL 217 CO -0.01 0.21 0.03 0.00 0.02 0.00 0.00 177.57 177.82 2wh8 h ALA 218 N 1.12 1.47 -0.46 1.67 0.00 -1.05 -1.14 119.26 120.88 2wh8 h ALA 218 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wh8 h ALA 218 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2wh8 h ALA 218 CO -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.18 2wh8 n ALA 219 N -2.28 2.43 -0.39 0.00 0.00 -0.58 -4.87 120.51 114.83 2wh8 n ALA 219 Ca -0.02 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.56 2wh8 n ALA 219 Cb 0.11 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.30 0.78 3.69 0.00 0.00 -0.43 -5.03 105.19 105.50 2wh8 n GLY 220 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.16 3.93 0.00 1.61 1.01 -0.97 -2.82 120.40 121.00 2wh8 s VAL 221 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.27 2wh8 s VAL 221 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2wh8 s VAL 221 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2wh8 n GLY 222 N 3.55 1.22 3.67 4.51 0.00 -1.26 -4.60 105.19 112.27 2wh8 n GLY 222 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2wh8 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh8 n ALA 223 N -0.50 0.13 -3.27 4.61 0.00 -1.13 -3.05 120.51 117.29 2wh8 n ALA 223 Ca 0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 53.44 53.08 2wh8 n ALA 223 Cb 0.00 -2.21 0.08 0.00 0.00 0.00 0.00 19.45 17.32 2wh8 n ALA 223 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wh8 n ASP 224 N -2.35 -2.14 -2.09 0.00 5.68 -1.26 -2.25 116.55 112.13 2wh8 n ASP 224 Ca 0.14 -0.56 -0.18 0.00 -0.50 0.00 0.00 54.79 53.69 2wh8 n ASP 224 Cb 0.50 -4.65 -0.03 0.00 -1.14 0.00 0.00 41.12 35.79 2wh8 n ASP 224 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wh8 n GLY 225 N -1.12 0.29 3.56 6.12 0.00 -1.26 -4.88 105.19 107.91 2wh8 n GLY 225 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2wh8 n GLY 225 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wh8 s ASP 226 N -2.22 6.62 0.29 1.61 2.15 -0.96 -4.79 116.67 119.37 2wh8 s ASP 226 Ca 0.00 -1.80 -0.02 0.00 0.43 0.00 0.00 52.55 51.16 2wh8 s ASP 226 Cb 0.00 -2.56 0.44 0.00 -0.30 0.00 0.00 42.92 40.50 2wh8 s ASP 226 CO 0.00 -1.38 1.93 0.74 -0.17 0.00 0.00 175.17 176.30 2wh8 h THR 227 N 6.36 1.16 -0.49 1.71 2.02 -1.90 -1.51 112.91 120.25 2wh8 h THR 227 Ca 0.27 -0.39 0.04 0.00 0.77 0.00 0.00 66.41 67.10 2wh8 h THR 227 Cb 0.97 -0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 2wh8 h THR 227 CO 1.42 0.21 0.26 0.00 0.37 0.00 0.00 175.52 177.78 2wh8 h ALA 228 N 1.47 0.63 -0.57 6.16 0.00 -1.96 0.47 119.26 125.46 2wh8 h ALA 228 Ca 0.36 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 2wh8 h ALA 228 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2wh8 h ALA 228 CO -0.11 -0.08 0.12 0.78 0.00 0.00 0.00 179.25 179.96 2wh8 h GLY 229 N 0.51 0.95 0.81 0.00 0.00 -1.66 0.12 103.07 103.81 2wh8 h GLY 229 Ca 0.21 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2wh8 h GLY 229 CO -0.14 0.54 0.02 -0.84 0.00 0.00 0.00 176.54 176.12 2wh8 h THR 230 N 0.85 1.22 -0.99 4.70 2.02 -0.63 -2.39 112.91 117.69 2wh8 h THR 230 Ca 0.18 -0.71 0.12 0.00 0.77 0.00 0.00 66.41 66.77 2wh8 h THR 230 Cb 0.33 1.41 -0.08 0.00 -1.74 0.00 0.00 68.15 68.07 2wh8 h THR 230 CO 0.00 0.21 0.62 0.25 0.37 0.00 0.00 175.52 176.97 2wh8 h LEU 231 N 0.02 0.91 -1.28 2.58 5.85 0.37 -0.37 115.31 123.39 2wh8 h LEU 231 Ca 0.04 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2wh8 h LEU 231 Cb 0.30 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2wh8 h LEU 231 CO 0.00 0.49 0.22 0.77 -0.34 0.00 0.00 178.44 179.59 2wh8 h SER 232 N 0.99 0.65 -0.33 1.25 4.64 -0.48 0.30 113.55 120.56 2wh8 h SER 232 Ca 0.49 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.64 2wh8 h SER 232 Cb 0.46 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2wh8 h SER 232 CO -0.26 0.57 -0.19 0.40 -0.87 0.00 0.00 176.83 176.48 2wh8 h ILE 233 N 0.72 1.29 -0.96 0.95 2.04 -0.98 -1.55 117.51 119.02 2wh8 h ILE 233 Ca 0.18 -1.32 -0.00 0.00 1.00 0.00 0.00 64.86 64.71 2wh8 h ILE 233 Cb 0.11 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 2wh8 h ILE 233 CO -0.02 0.43 0.58 -0.07 0.00 0.00 0.00 178.15 179.07 2wh8 h LEU 234 N 0.49 1.15 -0.92 1.44 3.38 -0.60 -0.93 115.31 119.31 2wh8 h LEU 234 Ca 0.07 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2wh8 h LEU 234 Cb 0.74 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2wh8 h LEU 234 CO 0.06 0.88 0.03 0.00 0.09 0.00 0.00 178.44 179.49 2wh8 h ALA 235 N 1.32 1.11 -0.68 1.53 0.00 -0.30 -0.49 119.26 121.75 2wh8 h ALA 235 Ca 0.34 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2wh8 h ALA 235 Cb -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 2wh8 h ALA 235 CO -0.07 0.57 0.34 0.35 0.00 0.00 0.00 179.25 180.45 2wh8 h PHE 236 N 0.77 0.96 -0.58 0.00 3.57 -0.70 -0.59 116.94 120.37 2wh8 h PHE 236 Ca 0.15 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.65 2wh8 h PHE 236 Cb 0.42 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2wh8 h PHE 236 CO 0.02 0.71 0.34 1.15 -2.23 0.00 0.00 178.31 178.30 2wh8 h THR 237 N 0.93 1.04 -0.47 4.41 2.02 -0.10 -0.79 112.91 119.95 2wh8 h THR 237 Ca 0.23 -0.23 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 2wh8 h THR 237 Cb 0.10 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 2wh8 h THR 237 CO -0.03 0.12 -0.16 -0.26 0.37 0.00 0.00 175.52 175.56 2wh8 h PHE 238 N 0.67 1.00 -0.42 3.16 0.04 -0.84 -1.04 116.94 119.52 2wh8 h PHE 238 Ca 0.24 -0.21 0.08 0.00 2.80 0.00 0.00 57.97 60.88 2wh8 h PHE 238 Cb 0.06 -0.25 -0.07 0.00 2.20 0.00 0.00 35.95 37.89 2wh8 h PHE 238 CO -0.07 0.98 -0.03 1.15 -0.60 0.00 0.00 178.31 179.74 2wh8 h THR 239 N 0.79 0.65 -0.15 -1.55 2.02 -0.69 0.30 112.91 114.28 2wh8 h THR 239 Ca 0.12 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.28 2wh8 h THR 239 Cb 0.69 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2wh8 h THR 239 CO 0.05 0.01 0.07 0.24 0.37 0.00 0.00 175.52 176.26 2wh8 h MET 240 N 0.07 0.15 -0.27 6.66 2.86 -0.87 -0.70 114.93 122.83 2wh8 h MET 240 Ca 0.20 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.79 2wh8 h MET 240 Cb 0.30 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2wh8 h MET 240 CO -0.37 0.10 -0.02 0.28 1.06 0.00 0.00 176.91 177.96 2wh8 h VAL 241 N 0.15 1.27 0.00 -2.22 2.07 -0.98 -0.34 116.25 116.20 2wh8 h VAL 241 Ca 0.06 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2wh8 h VAL 241 Cb 0.01 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2wh8 h VAL 241 CO -0.04 0.31 -0.12 0.71 0.02 0.00 0.00 177.57 178.44 2wh8 h THR 242 N 0.26 0.17 0.00 2.57 1.35 -0.40 -3.33 112.91 113.53 2wh8 h THR 242 Ca 0.07 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 2wh8 h THR 242 Cb 0.46 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 2wh8 h THR 242 CO 0.02 0.10 -1.44 0.61 -0.25 0.00 0.00 175.52 174.55 2wh8 n GLY 243 N 1.13 -0.76 0.30 5.82 0.00 -0.27 -4.68 105.19 106.72 2wh8 n GLY 243 Ca 0.03 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 1.45 -0.16 0.38 -0.02 0.00 -0.14 -4.47 105.19 102.24 2wh8 n GLY 244 Ca -0.01 -0.50 -0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.42 0.01 0.06 1.61 3.02 -1.25 -4.41 115.26 113.88 2wh8 n ASN 245 Ca 0.06 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.71 2wh8 n ASN 245 Cb 0.35 -0.31 0.55 0.00 -0.61 0.00 0.00 39.78 39.76 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 -0.00 0.23 -0.03 6.41 2.03 -1.84 -1.94 116.42 121.26 2wh8 h ASP 246 Ca 0.00 -0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2wh8 h ASP 246 Cb 0.00 -0.05 -0.00 0.00 -0.83 0.00 0.00 39.33 38.45 2wh8 h ASP 246 CO 0.00 0.15 0.02 0.71 -1.03 0.00 0.00 179.24 179.09 2wh8 h THR 247 N 0.26 1.08 -0.54 1.15 1.35 -1.85 -0.14 112.91 114.22 2wh8 h THR 247 Ca 0.15 -0.22 -0.04 0.00 -0.55 0.00 0.00 66.41 65.76 2wh8 h THR 247 Cb 0.27 1.16 -0.03 0.00 -1.73 0.00 0.00 68.15 67.83 2wh8 h THR 247 CO -0.03 0.06 0.18 0.58 -0.25 0.00 0.00 175.52 176.07 2wh8 h VAL 248 N -0.03 1.21 -0.26 6.82 2.07 -1.63 -0.67 116.25 123.76 2wh8 h VAL 248 Ca 0.01 -0.69 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 2wh8 h VAL 248 Cb 0.08 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2wh8 h VAL 248 CO -0.00 0.26 -0.21 0.74 0.02 0.00 0.00 177.57 178.38 2wh8 h THR 249 N 0.78 1.25 -0.20 2.57 2.02 -1.08 -0.79 112.91 117.45 2wh8 h THR 249 Ca 0.18 -1.17 -0.19 0.00 0.77 0.00 0.00 66.41 66.00 2wh8 h THR 249 Cb 0.20 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2wh8 h THR 249 CO -0.01 0.37 -0.63 1.23 0.37 0.00 0.00 175.52 176.85 2wh8 h GLY 250 N 0.98 0.79 0.73 2.16 0.00 -0.29 0.45 103.07 107.89 2wh8 h GLY 250 Ca 0.07 -0.99 -0.02 0.00 0.00 0.00 0.00 47.33 46.39 2wh8 h GLY 250 CO 0.04 0.89 -0.41 1.98 0.00 0.00 0.00 176.54 179.04 2wh8 h MET 251 N 0.53 -0.90 0.26 4.80 -1.53 -0.78 0.22 114.93 117.53 2wh8 h MET 251 Ca -0.01 0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.30 2wh8 h MET 251 Cb 1.23 0.20 0.00 0.00 -0.55 0.00 0.00 31.60 32.48 2wh8 h MET 251 CO 0.13 -0.60 -0.13 -0.07 0.14 0.00 0.00 176.91 176.38 2wh8 h LEU 252 N -0.93 -0.30 -0.57 3.39 3.38 -1.11 -2.30 115.31 116.87 2wh8 h LEU 252 Ca -0.06 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 2wh8 h LEU 252 Cb 0.78 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2wh8 h LEU 252 CO 0.02 -0.06 0.07 1.23 0.09 0.00 0.00 178.44 179.79 2wh8 h GLY 253 N -0.54 1.05 2.00 0.83 0.00 -0.97 -2.88 103.07 102.56 2wh8 h GLY 253 Ca -0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.55 2wh8 h GLY 253 CO 0.06 0.67 -0.10 -1.33 0.00 0.00 0.00 176.54 175.84 2wh8 h GLY 254 N 0.86 0.00 2.00 4.60 0.00 -0.59 -2.54 103.07 107.40 2wh8 h GLY 254 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 2wh8 h GLY 254 CO 0.02 0.00 -0.35 1.76 0.00 0.00 0.00 176.54 177.96 2wh8 h SER 255 N 0.00 0.00 0.02 0.19 0.02 -1.19 -3.35 113.55 109.24 2wh8 h SER 255 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wh8 h SER 255 Cb 0.48 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2wh8 h SER 255 CO 0.01 0.35 -0.04 0.24 -1.14 0.00 0.00 176.83 176.26 2wh8 h MET 256 N 0.00 -0.08 -0.55 3.45 2.86 -1.43 -1.42 114.93 117.76 2wh8 h MET 256 Ca -0.00 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 2wh8 h MET 256 Cb 1.07 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 2wh8 h MET 256 CO 0.05 -0.05 -0.00 -1.00 1.06 0.00 0.00 176.91 176.96 2wh8 h PRO 257 N -0.08 0.95 -0.57 -0.22 0.13 -1.75 0.15 132.00 130.62 2wh8 h PRO 257 Ca 0.01 -0.29 0.10 0.00 -0.87 0.00 0.00 66.00 64.95 2wh8 h PRO 257 Cb 0.09 -0.10 -0.08 0.00 0.13 0.00 0.00 31.00 31.04 2wh8 h PRO 257 CO -0.02 0.94 0.13 -0.07 -0.23 0.00 0.00 178.00 178.75 2wh8 h LEU 258 N 0.88 0.04 0.20 1.56 3.38 -1.63 -1.44 115.31 118.29 2wh8 h LEU 258 Ca 0.16 0.10 -0.31 0.00 0.09 0.00 0.00 57.88 57.92 2wh8 h LEU 258 Cb 0.52 0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.42 2wh8 h LEU 258 CO 0.03 0.04 -1.41 -0.07 0.09 0.00 0.00 178.44 177.11 2wh8 h LEU 259 N 0.27 0.66 -1.33 1.67 3.38 -1.06 -3.22 115.31 115.69 2wh8 h LEU 259 Ca 0.29 -0.73 0.09 0.00 0.09 0.00 0.00 57.88 57.62 2wh8 h LEU 259 Cb 0.41 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 2wh8 h LEU 259 CO -0.36 1.58 0.52 -0.74 0.09 0.00 0.00 178.44 179.52 2wh8 h HIS 260 N 0.12 0.81 -0.18 1.13 2.76 -0.48 -2.40 115.15 116.91 2wh8 h HIS 260 Ca -0.22 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.97 2wh8 h HIS 260 Cb 2.09 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 30.79 2wh8 h HIS 260 CO 0.10 0.39 0.00 2.89 -1.30 0.00 0.00 177.93 180.02 2wh8 n ARG 261 N -4.50 1.85 -3.40 5.26 1.85 -0.56 -4.47 116.66 112.70 2wh8 n ARG 261 Ca 0.13 -1.28 -0.26 0.00 -1.00 0.00 0.00 57.85 55.44 2wh8 n ARG 261 Cb 0.29 -1.42 -0.09 0.00 -1.05 0.00 0.00 32.46 30.20 2wh8 n ARG 261 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wh8 n ARG 262 N 0.51 1.36 0.29 2.89 5.12 -0.90 -4.94 116.66 120.99 2wh8 n ARG 262 Ca 0.17 -3.85 0.14 0.00 -1.93 0.00 0.00 57.85 52.38 2wh8 n ARG 262 Cb 0.38 -1.77 0.88 0.00 -1.16 0.00 0.00 32.46 30.79 2wh8 n ARG 262 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 2wh8 h PRO 263 N 4.53 0.00 -0.32 5.56 0.11 -1.78 0.15 132.00 140.24 2wh8 h PRO 263 Ca 0.16 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 2wh8 h PRO 263 Cb 0.80 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 2wh8 h PRO 263 CO 0.60 0.01 0.03 0.38 -0.21 0.00 0.00 178.00 178.80 2wh8 h ASP 264 N 0.00 0.45 0.21 -2.05 2.03 -1.93 0.23 116.42 115.36 2wh8 h ASP 264 Ca -0.00 -0.07 -0.28 0.00 -0.73 0.00 0.00 57.03 55.94 2wh8 h ASP 264 Cb 0.01 -0.12 0.03 0.00 -0.83 0.00 0.00 39.33 38.43 2wh8 h ASP 264 CO 0.00 0.50 -1.25 1.56 -1.03 0.00 0.00 179.24 179.02 2wh8 h GLN 265 N 0.47 0.45 -0.73 4.15 1.08 -1.12 -2.70 115.11 116.72 2wh8 h GLN 265 Ca 0.11 -0.77 0.02 0.00 -1.45 0.00 0.00 58.65 56.56 2wh8 h GLN 265 Cb 0.27 0.29 -0.04 0.00 -0.05 0.00 0.00 27.48 27.94 2wh8 h GLN 265 CO 0.00 1.37 0.47 0.00 -0.95 0.00 0.00 178.83 179.73 2wh8 h ARG 266 N -0.05 0.90 -0.81 1.46 3.08 -1.02 -2.43 114.38 115.53 2wh8 h ARG 266 Ca -0.22 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 59.89 2wh8 h ARG 266 Cb 1.98 -0.20 -0.08 0.00 0.08 0.00 0.00 29.97 31.74 2wh8 h ARG 266 CO 0.23 0.60 0.43 -0.09 -1.07 0.00 0.00 179.97 180.06 2wh8 h ARG 267 N 0.93 0.66 -0.87 0.04 9.65 -0.43 0.41 114.38 124.77 2wh8 h ARG 267 Ca 0.29 -0.04 0.14 0.00 -1.10 0.00 0.00 59.98 59.27 2wh8 h ARG 267 Cb -0.02 -0.15 -0.09 0.00 -1.39 0.00 0.00 29.97 28.32 2wh8 h ARG 267 CO -0.09 0.43 0.47 -0.07 2.80 0.00 0.00 179.97 183.51 2wh8 h LEU 268 N 0.68 0.59 0.08 3.80 4.07 -1.10 -1.00 115.31 122.43 2wh8 h LEU 268 Ca 0.41 0.08 -0.29 0.00 0.08 0.00 0.00 57.88 58.17 2wh8 h LEU 268 Cb 0.48 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 2wh8 h LEU 268 CO -0.30 0.26 -1.50 -0.07 -1.08 0.00 0.00 178.44 175.75 2wh8 h LEU 269 N 0.68 0.27 -0.92 1.67 3.38 -0.72 -1.39 115.31 118.28 2wh8 h LEU 269 Ca 0.47 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 58.13 2wh8 h LEU 269 Cb 0.63 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 2wh8 h LEU 269 CO -0.35 1.32 0.57 -0.07 0.09 0.00 0.00 178.44 180.01 2wh8 h LEU 270 N 0.05 0.87 0.00 1.67 3.38 -0.06 -2.10 115.31 119.12 2wh8 h LEU 270 Ca -0.22 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2wh8 h LEU 270 Cb 1.98 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.58 2wh8 h LEU 270 CO 0.14 0.53 -0.68 0.44 0.09 0.00 0.00 178.44 178.96 2wh8 h ASP 271 N 0.99 0.00 -1.79 -0.43 3.32 -1.19 -3.41 116.42 113.92 2wh8 h ASP 271 Ca 0.42 -0.06 -0.38 0.00 0.02 0.00 0.00 57.03 57.03 2wh8 h ASP 271 Cb 0.28 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.54 2wh8 h ASP 271 CO -0.21 0.03 -0.73 -0.62 -1.72 0.00 0.00 179.24 175.99 2wh8 s ASP 272 N -5.15 0.36 0.45 6.45 2.15 -0.53 -4.99 116.67 115.42 2wh8 s ASP 272 Ca 0.03 -2.20 0.28 0.00 0.43 0.00 0.00 52.55 51.09 2wh8 s ASP 272 Cb 0.10 0.63 1.50 0.00 -0.30 0.00 0.00 42.92 44.85 2wh8 s ASP 272 CO 0.74 -0.16 1.83 -0.65 -0.17 0.00 0.00 175.17 176.76 2wh8 h PRO 273 N 5.85 0.00 0.00 4.34 0.11 -1.61 -1.52 132.00 139.17 2wh8 h PRO 273 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2wh8 h PRO 273 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2wh8 h PRO 273 CO 0.20 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.38 2wh8 n GLU 274 N -2.52 0.01 0.01 1.05 4.71 -1.26 -1.69 120.64 120.96 2wh8 n GLU 274 Ca -0.02 0.20 0.10 0.00 -0.01 0.00 0.00 57.16 57.43 2wh8 n GLU 274 Cb 0.13 -1.51 0.45 0.00 -1.01 0.00 0.00 31.44 29.49 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 0.36 -1.25 0.35 0.62 0.00 -0.57 -4.30 105.19 100.39 2wh8 n GLY 275 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 1.26 -0.59 -0.61 2.04 -1.52 -1.19 117.51 116.89 2wh8 h ILE 276 Ca 0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 2wh8 h ILE 276 Cb 0.38 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 2wh8 h ILE 276 CO 0.00 0.30 0.38 -0.65 0.00 0.00 0.00 178.15 178.18 2wh8 h PRO 277 N 1.22 0.79 -0.71 2.37 0.11 -1.82 0.18 132.00 134.14 2wh8 h PRO 277 Ca 0.30 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.33 2wh8 h PRO 277 Cb 0.07 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 30.97 2wh8 h PRO 277 CO -0.04 0.54 0.33 -0.44 -0.21 0.00 0.00 178.00 178.18 2wh8 h ASP 278 N 0.80 0.92 -0.68 -2.05 3.32 -1.73 -1.57 116.42 115.44 2wh8 h ASP 278 Ca 0.22 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2wh8 h ASP 278 Cb -0.07 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 2wh8 h ASP 278 CO -0.05 0.79 0.30 0.00 -1.72 0.00 0.00 179.24 178.56 2wh8 h ALA 279 N 1.35 1.20 -0.80 3.45 0.00 -0.24 -2.53 119.26 121.70 2wh8 h ALA 279 Ca 0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2wh8 h ALA 279 Cb 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2wh8 h ALA 279 CO -0.03 0.59 0.37 0.28 0.00 0.00 0.00 179.25 180.46 2wh8 h VAL 280 N 1.01 1.25 -0.64 0.00 2.07 0.34 -0.39 116.25 119.89 2wh8 h VAL 280 Ca 0.24 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2wh8 h VAL 280 Cb 0.17 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 2wh8 h VAL 280 CO -0.02 0.30 0.41 -0.33 0.02 0.00 0.00 177.57 177.95 2wh8 h GLU 281 N 1.14 0.85 -0.61 1.57 4.39 -1.14 -0.55 114.58 120.23 2wh8 h GLU 281 Ca 0.27 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.83 2wh8 h GLU 281 Cb 0.13 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2wh8 h GLU 281 CO -0.03 0.58 0.06 1.49 -1.16 0.00 0.00 179.01 179.95 2wh8 h GLU 282 N 0.86 1.01 -0.31 2.33 4.57 -1.22 -0.18 114.58 121.65 2wh8 h GLU 282 Ca 0.23 -0.28 -0.13 0.00 -1.18 0.00 0.00 59.36 58.00 2wh8 h GLU 282 Cb -0.07 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.40 2wh8 h GLU 282 CO -0.05 0.96 -0.35 -0.07 -1.18 0.00 0.00 179.01 178.32 2wh8 h LEU 283 N 0.94 0.74 -1.01 1.64 3.38 -0.80 -1.56 115.31 118.65 2wh8 h LEU 283 Ca 0.18 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2wh8 h LEU 283 Cb 0.46 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2wh8 h LEU 283 CO 0.02 1.02 0.40 -0.07 0.09 0.00 0.00 178.44 179.89 2wh8 h LEU 284 N 0.59 0.99 0.09 1.67 3.38 -0.85 -0.39 115.31 120.79 2wh8 h LEU 284 Ca 0.06 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2wh8 h LEU 284 Cb 0.87 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2wh8 h LEU 284 CO 0.08 0.82 -0.05 -0.09 0.09 0.00 0.00 178.44 179.28 2wh8 h ARG 285 N 1.10 -0.13 0.03 1.13 2.43 -0.58 -0.76 114.38 117.61 2wh8 h ARG 285 Ca 0.27 0.01 -0.22 0.00 -0.81 0.00 0.00 59.98 59.23 2wh8 h ARG 285 Cb 0.07 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2wh8 h ARG 285 CO -0.04 -0.09 -1.00 -0.07 -1.51 0.00 0.00 179.97 177.27 2wh8 h LEU 286 N -0.13 0.23 0.19 3.80 3.38 -1.18 -3.27 115.31 118.32 2wh8 h LEU 286 Ca -0.01 -0.21 -0.32 0.00 0.09 0.00 0.00 57.88 57.43 2wh8 h LEU 286 Cb 0.11 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.80 2wh8 h LEU 286 CO 0.01 1.09 -1.45 0.71 0.09 0.00 0.00 178.44 178.89 2wh8 h THR 287 N 0.07 1.28 -6.38 0.22 1.35 -1.11 -3.48 112.91 104.86 2wh8 h THR 287 Ca -0.06 -2.81 -0.36 0.00 -0.55 0.00 0.00 66.41 62.63 2wh8 h THR 287 Cb 1.68 2.93 -0.00 0.00 -1.73 0.00 0.00 68.15 71.03 2wh8 h THR 287 CO 0.15 0.84 -0.77 -0.24 -0.25 0.00 0.00 175.52 175.25 2wh8 n SER 288 N -3.60 -3.27 -0.36 5.36 2.88 -0.29 -4.76 113.62 109.58 2wh8 n SER 288 Ca -0.15 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.66 2wh8 n SER 288 Cb 1.07 -1.11 0.15 0.00 -0.75 0.00 0.00 64.21 63.57 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 -0.07 1.22 -6.14 -1.46 0.11 -1.83 -2.50 132.00 121.34 2wh8 h PRO 289 Ca -0.46 -0.07 -0.57 0.00 0.11 0.00 0.00 66.00 65.01 2wh8 h PRO 289 Cb 0.99 -0.28 -0.10 0.00 0.11 0.00 0.00 31.00 31.73 2wh8 h PRO 289 CO 0.28 0.81 1.04 0.08 -0.21 0.00 0.00 178.00 180.00 2wh8 s VAL 290 N -6.06 3.88 0.20 3.15 1.01 -1.26 -0.37 120.40 120.95 2wh8 s VAL 290 Ca -0.13 0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2wh8 s VAL 290 Cb 0.19 -4.90 -0.08 0.00 0.00 0.00 0.00 36.38 31.59 2wh8 s VAL 290 CO 0.81 -1.80 1.48 1.56 0.00 0.00 0.00 175.10 177.16 2wh8 h GLN 291 N 9.88 0.34 -2.35 2.72 1.08 -0.06 -3.38 115.11 123.33 2wh8 h GLN 291 Ca -0.19 -0.26 -0.06 0.00 -1.45 0.00 0.00 58.65 56.69 2wh8 h GLN 291 Cb 1.05 0.05 -0.18 0.00 -0.05 0.00 0.00 27.48 28.35 2wh8 h GLN 291 CO 1.28 0.89 0.14 0.20 -0.95 0.00 0.00 178.83 180.39 2wh8 s GLY 292 N -4.32 -0.53 0.03 3.46 0.00 -1.16 -0.06 107.32 104.74 2wh8 s GLY 292 Ca -0.05 1.01 -0.04 0.00 0.00 0.00 0.00 44.72 45.64 2wh8 s GLY 292 CO 0.82 0.67 0.05 1.08 0.00 0.00 0.00 173.10 175.73 2wh8 s LEU 293 N -1.56 1.98 0.34 0.66 1.43 -0.87 -4.71 118.68 115.95 2wh8 s LEU 293 Ca -0.08 -0.55 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 2wh8 s LEU 293 Cb -0.01 0.43 -0.02 0.00 0.03 0.00 0.00 46.19 46.62 2wh8 s LEU 293 CO 0.04 -0.45 0.51 0.00 0.23 0.00 0.00 176.35 176.68 2wh8 s ALA 294 N -2.37 3.86 0.24 4.21 0.00 0.13 -0.26 121.76 127.58 2wh8 s ALA 294 Ca -0.07 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 50.79 2wh8 s ALA 294 Cb -0.03 -1.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 2wh8 s ALA 294 CO -0.04 -0.03 0.06 1.03 0.00 0.00 0.00 175.76 176.78 2wh8 s ARG 295 N -4.26 1.36 -0.14 0.00 1.81 0.14 -4.49 118.95 113.37 2wh8 s ARG 295 Ca 0.41 -1.72 0.02 0.00 -1.72 0.00 0.00 55.73 52.72 2wh8 s ARG 295 Cb -0.09 -0.35 0.00 0.00 -0.45 0.00 0.00 34.95 34.06 2wh8 s ARG 295 CO 0.34 -0.23 -0.19 0.99 -0.68 0.00 0.00 175.30 175.53 2wh8 s THR 296 N -3.66 2.39 0.22 0.02 2.01 0.43 -0.19 115.64 116.86 2wh8 s THR 296 Ca 0.34 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 2wh8 s THR 296 Cb 0.07 -1.98 -0.10 0.00 0.01 0.00 0.00 72.50 70.51 2wh8 s THR 296 CO 0.11 0.54 1.40 0.42 -0.69 0.00 0.00 174.62 176.40 2wh8 s THR 297 N 0.69 2.86 -2.06 -0.82 -4.23 -0.44 -0.44 115.64 111.21 2wh8 s THR 297 Ca -0.09 0.71 0.25 0.00 -1.18 0.00 0.00 61.69 61.38 2wh8 s THR 297 Cb -0.16 -3.45 0.19 0.00 1.34 0.00 0.00 72.50 70.41 2wh8 s THR 297 CO 0.01 0.11 1.38 0.35 -0.54 0.00 0.00 174.62 175.93 2wh8 n THR 298 N 2.55 0.00 -3.79 3.99 -2.24 -0.05 -1.34 114.28 113.39 2wh8 n THR 298 Ca 0.07 -0.23 -0.06 0.00 -2.27 0.00 0.00 64.05 61.57 2wh8 n THR 298 Cb 0.41 0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 69.46 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 -2.39 1.48 0.45 -0.78 1.70 -1.26 -4.80 118.95 113.35 2wh8 s ARG 299 Ca 0.24 -0.81 -0.24 0.00 -0.47 0.00 0.00 55.73 54.45 2wh8 s ARG 299 Cb 0.19 0.51 -0.07 0.00 -0.57 0.00 0.00 34.95 35.01 2wh8 s ARG 299 CO 0.50 -0.68 1.27 -0.51 -1.08 0.00 0.00 175.30 174.80 2wh8 s ASP 300 N -2.92 6.05 -0.03 -2.89 1.11 -1.26 -3.64 116.67 113.10 2wh8 s ASP 300 Ca 0.11 2.56 -0.01 0.00 0.18 0.00 0.00 52.55 55.38 2wh8 s ASP 300 Cb -0.04 -2.63 0.02 0.00 1.07 0.00 0.00 42.92 41.35 2wh8 s ASP 300 CO 0.04 -1.02 0.06 0.54 1.18 0.00 0.00 175.17 175.97 2wh8 s VAL 301 N -1.36 -0.03 -0.19 -1.27 0.11 -0.33 -4.87 120.40 112.47 2wh8 s VAL 301 Ca 0.62 0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 59.75 2wh8 s VAL 301 Cb -0.35 -0.11 -0.01 0.00 -1.53 0.00 0.00 36.38 34.37 2wh8 s VAL 301 CO 0.44 0.04 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.31 2wh8 s THR 302 N 0.60 3.46 -0.21 5.04 2.01 -1.26 -0.11 115.64 125.16 2wh8 s THR 302 Ca -0.05 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.48 2wh8 s THR 302 Cb -0.07 -2.54 0.05 0.00 0.01 0.00 0.00 72.50 69.95 2wh8 s THR 302 CO -0.02 0.46 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.63 2wh8 s ILE 303 N 0.98 1.78 0.00 1.82 1.01 0.07 -4.98 121.20 121.88 2wh8 s ILE 303 Ca -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.49 2wh8 s ILE 303 Cb -0.15 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.47 2wh8 s ILE 303 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.69 2wh8 n GLY 304 N 4.62 4.05 1.38 6.18 0.00 -1.26 -1.86 105.19 118.30 2wh8 n GLY 304 Ca -0.15 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 7.23 4.06 -4.10 1.61 3.85 -1.26 -4.89 116.55 123.06 2wh8 n ASP 305 Ca 0.00 -2.32 -0.29 0.00 -0.71 0.00 0.00 54.79 51.46 2wh8 n ASP 305 Cb 0.00 -0.52 -0.17 0.00 -1.35 0.00 0.00 41.12 39.08 2wh8 n ASP 305 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2wh8 s THR 306 N -1.71 1.64 -0.23 2.12 2.01 -0.78 -5.10 115.64 113.59 2wh8 s THR 306 Ca 0.44 -0.74 -0.08 0.00 0.31 0.00 0.00 61.69 61.62 2wh8 s THR 306 Cb 0.28 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 2wh8 s THR 306 CO 0.23 0.47 0.09 -0.89 -0.69 0.00 0.00 174.62 173.82 2wh8 s THR 307 N 0.79 4.63 -0.20 -0.82 2.01 -1.26 -0.75 115.64 120.03 2wh8 s THR 307 Ca -0.10 -0.07 -0.16 0.00 0.31 0.00 0.00 61.69 61.67 2wh8 s THR 307 Cb -0.16 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 2wh8 s THR 307 CO 0.01 0.36 0.38 -0.63 -0.69 0.00 0.00 174.62 174.06 2wh8 s ILE 308 N 1.25 5.21 0.61 1.82 1.01 0.84 -4.93 121.20 127.01 2wh8 s ILE 308 Ca 0.05 0.68 -0.17 0.00 0.00 0.00 0.00 60.65 61.21 2wh8 s ILE 308 Cb -0.14 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 2wh8 s ILE 308 CO 0.04 0.26 1.14 -2.84 0.00 0.00 0.00 174.94 173.54 2wh8 s PRO 309 N 1.28 2.98 0.31 2.79 0.02 -1.26 -1.18 135.00 139.94 2wh8 s PRO 309 Ca 0.18 1.57 -0.27 0.00 0.02 0.00 0.00 61.00 62.51 2wh8 s PRO 309 Cb -0.15 -1.96 -0.14 0.00 0.02 0.00 0.00 34.50 32.28 2wh8 s PRO 309 CO 0.08 -1.14 0.86 0.00 -0.33 0.00 0.00 177.00 176.47 2wh8 n ALA 310 N -1.88 -0.79 -0.86 -1.55 0.00 -1.24 -3.14 120.51 111.04 2wh8 n ALA 310 Ca 0.12 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2wh8 n ALA 310 Cb 0.51 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 1.42 0.61 3.76 0.00 0.00 -0.45 -4.94 105.19 105.60 2wh8 n GLY 311 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.14 2.83 0.34 1.61 1.81 -1.19 -4.85 118.95 119.36 2wh8 s ARG 312 Ca 0.00 -0.73 -0.25 0.00 -1.72 0.00 0.00 55.73 53.02 2wh8 s ARG 312 Cb 0.00 -2.69 -0.10 0.00 -0.45 0.00 0.00 34.95 31.71 2wh8 s ARG 312 CO 0.00 0.55 0.95 1.03 -0.68 0.00 0.00 175.30 177.15 2wh8 s ARG 313 N -2.44 4.53 -0.12 3.54 0.52 -1.26 -1.32 118.95 122.40 2wh8 s ARG 313 Ca 0.29 1.30 -0.00 0.00 -0.52 0.00 0.00 55.73 56.79 2wh8 s ARG 313 Cb -0.12 -2.70 0.02 0.00 0.52 0.00 0.00 34.95 32.67 2wh8 s ARG 313 CO 0.21 0.23 -0.09 0.08 0.02 0.00 0.00 175.30 175.75 2wh8 s VAL 314 N -1.70 1.15 -0.29 3.52 1.01 0.73 -1.12 120.40 123.69 2wh8 s VAL 314 Ca 0.52 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.87 2wh8 s VAL 314 Cb -0.17 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.08 2wh8 s VAL 314 CO 0.22 0.39 0.92 -0.22 0.00 0.00 0.00 175.10 176.41 2wh8 s LEU 315 N 1.62 4.04 -0.54 3.92 2.96 0.10 -0.68 118.68 130.10 2wh8 s LEU 315 Ca 0.04 0.96 -0.22 0.00 -0.22 0.00 0.00 54.13 54.69 2wh8 s LEU 315 Cb -0.13 -3.31 0.05 0.00 0.50 0.00 0.00 46.19 43.30 2wh8 s LEU 315 CO -0.08 -0.69 0.83 -0.76 -1.32 0.00 0.00 176.35 174.33 2wh8 s LEU 316 N 3.19 4.42 -1.27 -0.68 1.43 0.64 -0.69 118.68 125.72 2wh8 s LEU 316 Ca 0.39 -0.58 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 2wh8 s LEU 316 Cb -0.14 -2.68 0.09 0.00 0.03 0.00 0.00 46.19 43.50 2wh8 s LEU 316 CO 0.11 -1.11 1.66 -0.76 0.23 0.00 0.00 176.35 176.48 2wh8 s LEU 317 N 3.48 4.10 0.30 1.79 1.43 -0.40 -2.04 118.68 127.34 2wh8 s LEU 317 Ca 0.25 -2.53 0.05 0.00 -1.03 0.00 0.00 54.13 50.87 2wh8 s LEU 317 Cb -0.15 -2.54 0.73 0.00 0.03 0.00 0.00 46.19 44.26 2wh8 s LEU 317 CO 0.16 -1.09 1.76 1.88 0.23 0.00 0.00 176.35 179.29 2wh8 h TYR 318 N 7.58 0.99 -0.25 0.29 0.05 -1.50 -0.30 116.97 123.83 2wh8 h TYR 318 Ca 0.41 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 59.22 2wh8 h TYR 318 Cb 0.88 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 2wh8 h TYR 318 CO 1.35 0.18 0.14 0.78 -1.05 0.00 0.00 178.16 179.56 2wh8 h GLY 319 N 0.69 0.36 0.58 3.88 0.00 -0.66 0.15 103.07 108.07 2wh8 h GLY 319 Ca 0.57 -0.14 -0.32 0.00 0.00 0.00 0.00 47.33 47.44 2wh8 h GLY 319 CO -0.41 0.14 -1.70 0.23 0.00 0.00 0.00 176.54 174.80 2wh8 h SER 320 N 0.35 0.40 -0.85 0.19 0.87 -1.40 -3.26 113.55 109.84 2wh8 h SER 320 Ca 0.09 -0.87 0.15 0.00 -1.23 0.00 0.00 61.79 59.93 2wh8 h SER 320 Cb -0.00 -0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 61.73 2wh8 h SER 320 CO -0.02 1.74 0.43 0.00 -0.53 0.00 0.00 176.83 178.45 2wh8 h ALA 321 N -0.02 1.28 0.00 6.23 0.00 -0.93 0.43 119.26 126.25 2wh8 h ALA 321 Ca -0.37 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2wh8 h ALA 321 Cb 1.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2wh8 h ALA 321 CO 0.06 -0.11 0.00 -0.91 0.00 0.00 0.00 179.25 178.29 2wh8 h ASN 322 N 0.60 0.00 -0.09 0.00 2.35 -1.03 -2.74 115.58 114.67 2wh8 h ASN 322 Ca 0.47 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.21 2wh8 h ASN 322 Cb 0.68 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.05 2wh8 h ASN 322 CO -0.38 0.00 -0.02 0.54 -1.65 0.00 0.00 177.43 175.92 2wh8 n ARG 323 N -2.46 1.80 -2.58 0.81 1.74 0.08 -4.82 116.66 111.23 2wh8 n ARG 323 Ca 0.00 -2.71 -0.43 0.00 -0.77 0.00 0.00 57.85 53.94 2wh8 n ARG 323 Cb 0.17 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 29.97 2wh8 n ARG 323 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2wh8 s ASP 324 N -2.61 6.82 0.61 0.55 -1.08 -0.81 -4.71 116.67 115.45 2wh8 s ASP 324 Ca 0.36 1.00 0.30 0.00 -0.52 0.00 0.00 52.55 53.69 2wh8 s ASP 324 Cb 0.31 -2.54 1.67 0.00 -1.46 0.00 0.00 42.92 40.89 2wh8 s ASP 324 CO 0.04 -0.99 2.03 -0.33 0.52 0.00 0.00 175.17 176.45 2wh8 h GLU 325 N 8.57 0.00 0.00 4.34 3.07 -1.91 0.88 114.58 129.53 2wh8 h GLU 325 Ca -0.22 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.60 2wh8 h GLU 325 Cb 1.07 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 2wh8 h GLU 325 CO 1.05 0.00 -0.20 0.00 -1.40 0.00 0.00 179.01 178.46 2wh8 h ARG 326 N 0.00 0.00 0.00 2.33 3.08 -1.90 0.13 114.38 118.02 2wh8 h ARG 326 Ca 0.09 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.81 2wh8 h ARG 326 Cb 0.66 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.65 2wh8 h ARG 326 CO -0.00 0.20 -2.24 0.94 -1.07 0.00 0.00 179.97 177.80 2wh8 n GLN 327 N -3.61 0.54 0.00 0.04 -0.06 0.09 -4.71 117.38 109.66 2wh8 n GLN 327 Ca -0.01 0.13 0.06 0.00 -2.00 0.00 0.00 57.00 55.18 2wh8 n GLN 327 Cb 0.33 -1.43 0.05 0.00 -4.06 0.00 0.00 30.24 25.13 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 -3.20 0.00 0.00 3.69 4.02 0.05 -5.02 117.16 116.69 2wh8 n TYR 328 Ca -0.39 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.50 2wh8 n TYR 328 Cb 0.90 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.22 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 0.73 0.39 0.05 2.72 0.00 0.46 -4.14 105.19 105.39 2wh8 n GLY 329 Ca 0.07 -1.85 0.08 0.00 0.00 0.00 0.00 46.02 44.32 2wh8 n GLY 329 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wh8 n PRO 330 N 0.69 0.07 -0.66 1.61 -0.02 -1.26 -0.94 135.00 134.49 2wh8 n PRO 330 Ca 0.00 0.36 0.08 0.00 -2.02 0.00 0.00 63.50 61.91 2wh8 n PRO 330 Cb 0.00 -1.65 0.34 0.00 -0.02 0.00 0.00 33.50 32.17 2wh8 n PRO 330 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2wh8 n ASP 331 N -1.78 4.70 -0.39 2.55 5.75 -1.26 -4.62 116.55 121.50 2wh8 n ASP 331 Ca 0.02 -2.56 0.32 0.00 -0.01 0.00 0.00 54.79 52.56 2wh8 n ASP 331 Cb 0.16 -0.60 0.63 0.00 -1.03 0.00 0.00 41.12 40.29 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 3.94 2.71 0.00 2.12 0.00 -1.20 -0.32 119.26 126.51 2wh8 h ALA 332 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wh8 h ALA 332 Cb 1.53 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2wh8 h ALA 332 CO 0.30 -1.19 0.00 0.00 0.00 0.00 0.00 179.25 178.36 2wh8 n ALA 333 N -2.59 1.99 -2.82 0.00 0.00 -1.26 -4.85 120.51 110.98 2wh8 n ALA 333 Ca 0.31 -0.04 -0.28 0.00 0.00 0.00 0.00 53.44 53.43 2wh8 n ALA 333 Cb 1.22 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 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 -3.07 2.99 -0.13 0.00 2.02 -0.13 -5.08 118.70 115.31 2wh8 s GLU 334 Ca 0.09 -0.76 -0.29 0.00 0.02 0.00 0.00 54.97 54.03 2wh8 s GLU 334 Cb 0.13 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.61 2wh8 s GLU 334 CO 0.43 0.52 1.18 -1.17 0.02 0.00 0.00 175.26 176.24 2wh8 s LEU 335 N -2.88 4.21 -0.30 1.80 2.96 -1.26 -4.98 118.68 118.24 2wh8 s LEU 335 Ca 0.31 1.68 -0.02 0.00 -0.22 0.00 0.00 54.13 55.88 2wh8 s LEU 335 Cb -0.11 -3.55 0.10 0.00 0.50 0.00 0.00 46.19 43.13 2wh8 s LEU 335 CO 0.24 -0.65 0.11 -0.62 -1.32 0.00 0.00 176.35 174.11 2wh8 s ASP 336 N 1.58 3.81 0.00 3.68 2.15 -1.26 -5.00 116.67 121.63 2wh8 s ASP 336 Ca 0.53 -1.48 0.09 0.00 0.43 0.00 0.00 52.55 52.12 2wh8 s ASP 336 Cb -0.21 -0.68 0.41 0.00 -0.30 0.00 0.00 42.92 42.13 2wh8 s ASP 336 CO 0.16 -0.42 1.30 1.33 -0.17 0.00 0.00 175.17 177.38 2wh8 n VAL 337 N 4.99 1.34 0.66 1.11 0.24 -1.26 -1.26 118.33 124.15 2wh8 n VAL 337 Ca -0.04 0.33 0.12 0.00 -2.04 0.00 0.00 64.34 62.72 2wh8 n VAL 337 Cb 0.42 -1.17 0.20 0.00 -1.47 0.00 0.00 33.84 31.82 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 -1.50 0.29 -0.02 3.34 -2.24 -1.26 -3.67 114.28 109.22 2wh8 n THR 338 Ca 0.02 -0.62 0.02 0.00 -2.27 0.00 0.00 64.05 61.21 2wh8 n THR 338 Cb 0.11 1.09 0.37 0.00 -2.10 0.00 0.00 70.33 69.80 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 4.32 0.59 -6.20 -0.78 2.43 -1.53 -3.47 114.38 109.73 2wh8 h ARG 339 Ca 0.00 -0.06 -0.43 0.00 -0.81 0.00 0.00 59.98 58.68 2wh8 h ARG 339 Cb 0.94 -0.12 0.05 0.00 -0.42 0.00 0.00 29.97 30.42 2wh8 h ARG 339 CO 0.00 0.45 -0.90 0.00 -1.51 0.00 0.00 179.97 178.01 2wh8 n PRO 341 N -4.20 2.71 -4.07 0.00 -0.04 -1.26 -5.00 135.00 123.15 2wh8 n PRO 341 Ca -0.20 0.96 -0.25 0.00 -0.04 0.00 0.00 63.50 63.97 2wh8 n PRO 341 Cb 0.64 -2.73 -0.05 0.00 -0.04 0.00 0.00 33.50 31.32 2wh8 n PRO 341 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wh8 s ARG 342 N -1.00 3.00 -1.47 0.54 1.81 -1.26 -4.66 118.95 115.90 2wh8 s ARG 342 Ca 0.61 -0.87 -0.08 0.00 -1.72 0.00 0.00 55.73 53.67 2wh8 s ARG 342 Cb -0.49 -2.68 0.06 0.00 -0.45 0.00 0.00 34.95 31.39 2wh8 s ARG 342 CO 0.53 0.47 0.77 0.09 -0.68 0.00 0.00 175.30 176.49 2wh8 n ASN 343 N -0.59 -2.76 -4.74 0.23 3.02 -1.26 -4.94 115.26 104.22 2wh8 n ASN 343 Ca -0.08 -0.87 -0.33 0.00 -0.03 0.00 0.00 54.58 53.27 2wh8 n ASN 343 Cb 0.55 -3.62 0.07 0.00 -0.61 0.00 0.00 39.78 36.18 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 -3.52 2.77 -1.95 2.41 -4.36 -1.26 -4.96 121.20 110.33 2wh8 s ILE 344 Ca 0.37 0.36 0.20 0.00 -0.26 0.00 0.00 60.65 61.32 2wh8 s ILE 344 Cb -0.19 -2.87 0.48 0.00 1.25 0.00 0.00 42.46 41.13 2wh8 s ILE 344 CO 0.85 -0.22 1.40 0.18 0.24 0.00 0.00 174.94 177.39 2wh8 n LEU 345 N -2.67 3.50 -0.09 0.37 4.77 -1.26 -4.67 117.00 116.94 2wh8 n LEU 345 Ca 0.12 -1.76 0.11 0.00 -0.03 0.00 0.00 56.01 54.44 2wh8 n LEU 345 Cb 0.51 -0.33 0.48 0.00 -2.33 0.00 0.00 43.42 41.75 2wh8 n LEU 345 CO 0.48 0.82 1.19 0.74 -1.33 0.00 0.00 177.39 179.29 2wh8 h THR 346 N 3.87 0.92 -0.43 -5.08 2.02 -1.87 -0.89 112.91 111.46 2wh8 h THR 346 Ca 0.00 -0.16 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 2wh8 h THR 346 Cb 0.92 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 2wh8 h THR 346 CO 0.00 0.08 0.07 0.49 0.37 0.00 0.00 175.52 176.53 2wh8 n PHE 347 N -4.47 1.44 -4.74 3.16 3.72 -1.26 -4.69 117.46 110.61 2wh8 n PHE 347 Ca 0.10 -1.16 0.00 0.00 -0.05 0.00 0.00 57.45 56.34 2wh8 n PHE 347 Cb 0.34 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 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 -0.56 -2.61 -3.63 4.37 2.88 -0.34 -1.19 113.62 112.54 2wh8 n SER 348 Ca 0.30 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.72 2wh8 n SER 348 Cb 1.08 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.47 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 -0.67 0.00 0.66 2.46 -1.26 -4.78 115.29 111.71 2wh8 s HIS 349 Ca 0.00 1.60 0.00 0.00 0.47 0.00 0.00 55.06 57.13 2wh8 s HIS 349 Cb 0.00 0.31 0.00 0.00 -0.13 0.00 0.00 32.58 32.76 2wh8 s HIS 349 CO 0.00 -0.34 0.00 0.41 -2.47 0.00 0.00 174.74 172.34 2wh8 n GLY 350 N 2.39 0.54 0.36 1.59 0.00 -1.26 -3.53 105.19 105.28 2wh8 n GLY 350 Ca -0.14 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.30 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 1.65 -0.55 4.61 0.00 -1.83 -1.55 119.26 121.59 2wh8 h ALA 351 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wh8 h ALA 351 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2wh8 h ALA 351 CO 0.00 0.16 0.00 0.72 0.00 0.00 0.00 179.25 180.13 2wh8 n HIS 352 N -4.53 0.73 -1.53 0.00 -0.00 -1.26 -4.99 115.22 103.64 2wh8 n HIS 352 Ca 0.15 -0.36 -0.58 0.00 -0.00 0.00 0.00 57.72 56.92 2wh8 n HIS 352 Cb 0.32 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.23 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 1.29 0.82 -1.71 4.41 -0.00 -0.59 -4.59 115.22 114.86 2wh8 n HIS 353 Ca 0.20 1.00 -0.60 0.00 0.46 0.00 0.00 57.72 58.78 2wh8 n HIS 353 Cb 0.53 -2.13 -0.08 0.00 -0.12 0.00 0.00 29.99 28.18 2wh8 n HIS 353 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2wh8 h LEU 355 N 6.88 0.00 -0.24 0.00 3.38 -1.93 -2.77 115.31 120.63 2wh8 h LEU 355 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2wh8 h LEU 355 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2wh8 h LEU 355 CO 0.97 0.10 -0.01 0.61 0.09 0.00 0.00 178.44 180.19 2wh8 n GLY 356 N -1.07 -0.79 0.21 0.83 0.00 -1.26 -4.56 105.19 98.54 2wh8 n GLY 356 Ca -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 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 3.99 0.50 -0.57 4.61 0.00 -1.87 0.38 119.26 126.31 2wh8 h ALA 357 Ca 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2wh8 h ALA 357 Cb 0.17 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2wh8 h ALA 357 CO 0.00 -0.39 0.26 0.00 0.00 0.00 0.00 179.25 179.12 2wh8 h ALA 358 N 1.49 0.74 -0.83 0.00 0.00 -1.86 -0.03 119.26 118.76 2wh8 h ALA 358 Ca 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2wh8 h ALA 358 Cb 0.42 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2wh8 h ALA 358 CO -0.46 0.32 0.45 0.00 0.00 0.00 0.00 179.25 179.55 2wh8 h ALA 359 N 1.10 1.07 -0.11 0.00 0.00 -1.45 0.26 119.26 120.12 2wh8 h ALA 359 Ca 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wh8 h ALA 359 Cb 0.14 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2wh8 h ALA 359 CO -0.02 0.58 0.03 0.00 0.00 0.00 0.00 179.25 179.84 2wh8 h ALA 360 N 1.24 0.15 -0.27 0.00 0.00 -0.73 -1.29 119.26 118.36 2wh8 h ALA 360 Ca 0.29 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2wh8 h ALA 360 Cb 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2wh8 h ALA 360 CO -0.05 -0.21 0.05 0.00 0.00 0.00 0.00 179.25 179.04 2wh8 h ARG 361 N -0.02 0.14 -0.44 0.00 3.08 -0.68 -1.63 114.38 114.82 2wh8 h ARG 361 Ca 0.04 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.14 2wh8 h ARG 361 Cb 0.26 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 2wh8 h ARG 361 CO 0.00 0.10 0.12 1.98 -1.07 0.00 0.00 179.97 181.10 2wh8 h MET 362 N 0.15 0.26 -0.55 0.04 4.05 -0.37 0.29 114.93 118.79 2wh8 h MET 362 Ca 0.13 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.55 2wh8 h MET 362 Cb 0.14 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 2wh8 h MET 362 CO -0.17 0.17 0.34 1.96 0.23 0.00 0.00 176.91 179.44 2wh8 h GLN 363 N 0.27 0.65 -0.44 0.39 4.20 -0.92 -0.37 115.11 118.89 2wh8 h GLN 363 Ca 0.21 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.91 2wh8 h GLN 363 Cb 0.24 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2wh8 h GLN 363 CO -0.25 0.43 0.25 0.00 -0.67 0.00 0.00 178.83 178.59 2wh8 h ARG 365 N 0.50 -0.18 -0.56 0.00 2.43 -0.53 -0.20 114.38 115.84 2wh8 h ARG 365 Ca 0.18 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 2wh8 h ARG 365 Cb 0.04 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2wh8 h ARG 365 CO -0.09 -0.12 0.29 0.28 -1.51 0.00 0.00 179.97 178.81 2wh8 h VAL 366 N -0.19 1.19 -0.49 0.20 2.07 -0.96 -0.33 116.25 117.74 2wh8 h VAL 366 Ca 0.02 -0.52 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 2wh8 h VAL 366 Cb 0.20 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 2wh8 h VAL 366 CO -0.05 0.21 -0.13 0.00 0.02 0.00 0.00 177.57 177.62 2wh8 h ALA 367 N 1.12 0.67 -0.27 1.67 0.00 -0.77 -2.19 119.26 119.50 2wh8 h ALA 367 Ca 0.19 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2wh8 h ALA 367 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2wh8 h ALA 367 CO -0.03 0.60 -0.18 1.25 0.00 0.00 0.00 179.25 180.89 2wh8 h LEU 368 N 0.80 0.63 -0.21 0.00 5.85 -0.86 0.13 115.31 121.66 2wh8 h LEU 368 Ca 0.12 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.47 2wh8 h LEU 368 Cb 0.69 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 2wh8 h LEU 368 CO 0.05 0.93 -0.26 0.74 -0.34 0.00 0.00 178.44 179.55 2wh8 h THR 369 N 0.34 0.36 -0.07 1.05 2.02 -0.96 -1.71 112.91 113.94 2wh8 h THR 369 Ca 0.06 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.06 2wh8 h THR 369 Cb 0.71 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2wh8 h THR 369 CO 0.05 0.00 -0.71 -0.33 0.37 0.00 0.00 175.52 174.90 2wh8 h GLU 370 N -0.29 0.34 -0.67 6.66 4.39 -1.32 -2.12 114.58 121.57 2wh8 h GLU 370 Ca 0.12 -0.27 0.02 0.00 0.34 0.00 0.00 59.36 59.57 2wh8 h GLU 370 Cb 0.48 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 2wh8 h GLU 370 CO -0.38 0.91 0.42 1.25 -1.16 0.00 0.00 179.01 180.06 2wh8 h LEU 371 N 0.24 0.71 -0.66 1.33 5.85 -0.82 0.18 115.31 122.13 2wh8 h LEU 371 Ca -0.02 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 2wh8 h LEU 371 Cb 1.27 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2wh8 h LEU 371 CO 0.12 0.50 -0.45 -0.07 -0.34 0.00 0.00 178.44 178.19 2wh8 h LEU 372 N 0.84 0.55 -0.43 2.25 3.38 -1.23 0.16 115.31 120.83 2wh8 h LEU 372 Ca 0.26 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2wh8 h LEU 372 Cb -0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2wh8 h LEU 372 CO -0.09 0.92 -0.47 0.00 0.09 0.00 0.00 178.44 178.89 2wh8 h ALA 373 N 1.10 0.79 0.00 1.53 0.00 -1.01 -3.30 119.26 118.37 2wh8 h ALA 373 Ca 0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2wh8 h ALA 373 Cb 0.96 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2wh8 h ALA 373 CO 0.08 0.59 -1.24 0.54 0.00 0.00 0.00 179.25 179.23 2wh8 n ARG 374 N -3.36 0.87 -2.96 0.00 1.74 0.60 -4.83 116.66 108.72 2wh8 n ARG 374 Ca 0.01 -0.03 -0.13 0.00 -0.77 0.00 0.00 57.85 56.92 2wh8 n ARG 374 Cb 0.65 -1.11 0.03 0.00 -1.02 0.00 0.00 32.46 31.00 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 2.97 0.00 -0.47 0.00 0.11 -1.60 -2.06 132.00 130.95 2wh8 h PRO 376 Ca -0.01 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 2wh8 h PRO 376 Cb 1.04 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 2wh8 h PRO 376 CO 0.32 0.00 0.07 -0.25 -0.21 0.00 0.00 178.00 177.93 2wh8 n ASP 377 N -4.08 4.38 -4.37 -2.05 9.92 -1.26 -4.99 116.55 114.09 2wh8 n ASP 377 Ca 0.07 -3.15 -0.33 0.00 -0.53 0.00 0.00 54.79 50.85 2wh8 n ASP 377 Cb 0.54 -0.64 0.12 0.00 -0.64 0.00 0.00 41.12 40.50 2wh8 n ASP 377 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 2wh8 n PHE 378 N -0.26 -1.67 -4.64 1.24 -1.74 -0.77 -4.89 117.46 104.74 2wh8 n PHE 378 Ca 0.30 0.21 -0.25 0.00 -0.56 0.00 0.00 57.45 57.15 2wh8 n PHE 378 Cb 1.12 -1.73 -0.16 0.00 1.52 0.00 0.00 39.48 40.22 2wh8 n PHE 378 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 2wh8 s GLU 379 N -3.51 1.73 0.03 3.97 2.02 0.18 -4.95 118.70 118.16 2wh8 s GLU 379 Ca 0.56 -0.45 0.07 0.00 0.02 0.00 0.00 54.97 55.16 2wh8 s GLU 379 Cb -0.20 -1.43 -0.02 0.00 0.10 0.00 0.00 34.13 32.58 2wh8 s GLU 379 CO 0.68 0.07 -0.21 0.14 0.02 0.00 0.00 175.26 175.96 2wh8 s VAL 380 N 0.54 1.69 -0.40 2.63 -7.23 -1.26 -1.20 120.40 115.17 2wh8 s VAL 380 Ca -0.13 -1.13 -0.14 0.00 -1.81 0.00 0.00 61.98 58.77 2wh8 s VAL 380 Cb -0.15 -1.45 0.02 0.00 0.56 0.00 0.00 36.38 35.36 2wh8 s VAL 380 CO 0.04 0.28 0.27 0.00 -0.31 0.00 0.00 175.10 175.38 2wh8 s ALA 381 N -0.72 3.42 0.24 1.32 0.00 -1.26 -4.96 121.76 119.80 2wh8 s ALA 381 Ca 0.08 -1.72 -0.05 0.00 0.00 0.00 0.00 51.96 50.26 2wh8 s ALA 381 Cb -0.09 -2.80 0.34 0.00 0.00 0.00 0.00 23.12 20.58 2wh8 s ALA 381 CO 0.01 -1.44 1.84 0.93 0.00 0.00 0.00 175.76 177.10 2wh8 h GLU 382 N 8.57 0.87 -1.20 0.00 5.08 -1.96 0.47 114.58 126.41 2wh8 h GLU 382 Ca -0.26 -0.05 0.43 0.00 -1.00 0.00 0.00 59.36 58.47 2wh8 h GLU 382 Cb 1.11 -0.20 -0.15 0.00 0.50 0.00 0.00 28.75 30.02 2wh8 h GLU 382 CO 0.71 0.58 0.73 1.03 -1.00 0.00 0.00 179.01 181.06 2wh8 h SER 383 N 0.90 0.29 -0.02 1.42 0.87 -2.03 -1.67 113.55 113.31 2wh8 h SER 383 Ca 0.38 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 61.12 2wh8 h SER 383 Cb 0.23 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2wh8 h SER 383 CO -0.19 -0.28 -0.39 0.54 -0.53 0.00 0.00 176.83 175.97 2wh8 n ARG 384 N -4.93 1.41 -1.96 2.24 1.74 0.16 -4.93 116.66 110.40 2wh8 n ARG 384 Ca 0.38 -1.09 -0.41 0.00 -0.77 0.00 0.00 57.85 55.95 2wh8 n ARG 384 Cb 1.37 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 31.35 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 -2.32 2.53 -0.15 0.55 1.01 -0.63 -4.63 121.20 117.56 2wh8 s ILE 385 Ca 0.19 0.44 -0.02 0.00 0.00 0.00 0.00 60.65 61.26 2wh8 s ILE 385 Cb 0.17 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 2wh8 s ILE 385 CO 0.51 0.07 -0.09 -0.69 0.00 0.00 0.00 174.94 174.74 2wh8 s VAL 386 N 0.05 3.40 0.02 2.92 1.01 -0.63 -5.00 120.40 122.17 2wh8 s VAL 386 Ca 0.61 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 2wh8 s VAL 386 Cb -0.43 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 2wh8 s VAL 386 CO 0.44 0.50 0.27 0.26 0.00 0.00 0.00 175.10 176.57 2wh8 s TRP 387 N 0.47 3.57 0.58 5.22 0.52 -1.26 0.49 118.94 128.53 2wh8 s TRP 387 Ca -0.07 0.57 -0.18 0.00 0.02 0.00 0.00 56.10 56.44 2wh8 s TRP 387 Cb -0.15 -1.99 -0.04 0.00 -1.15 0.00 0.00 33.47 30.14 2wh8 s TRP 387 CO 0.04 0.60 1.13 0.45 0.02 0.00 0.00 176.95 179.20 2wh8 s SER 388 N -1.75 5.49 0.99 2.95 0.15 0.07 -4.68 113.70 116.92 2wh8 s SER 388 Ca 0.28 2.16 -0.11 0.00 0.70 0.00 0.00 55.95 58.98 2wh8 s SER 388 Cb -0.13 -2.58 0.19 0.00 -1.71 0.00 0.00 66.02 61.79 2wh8 s SER 388 CO 0.17 -1.38 1.09 -0.83 1.20 0.00 0.00 173.24 173.49 2wh8 s GLY 389 N -1.95 1.62 0.00 9.45 0.00 -1.26 -4.03 107.32 111.15 2wh8 s GLY 389 Ca 0.72 0.16 0.00 0.00 0.00 0.00 0.00 44.72 45.60 2wh8 s GLY 389 CO 0.31 0.70 0.00 0.61 0.00 0.00 0.00 173.10 174.72 2wh8 n GLY 390 N 0.00 2.81 0.35 0.20 0.00 -1.25 -4.89 105.19 102.42 2wh8 n GLY 390 Ca 0.07 -1.62 0.12 0.00 0.00 0.00 0.00 46.02 44.59 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 1.46 -0.07 1.61 7.64 -1.26 -4.49 113.62 118.51 2wh8 n SER 391 Ca 0.00 -1.17 -0.10 0.00 1.01 0.00 0.00 58.87 58.62 2wh8 n SER 391 Cb 0.00 0.29 -0.07 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.38 0.00 -4.35 1.43 4.01 -1.26 -4.40 117.16 112.21 2wh8 n TYR 392 Ca 0.11 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.51 2wh8 n TYR 392 Cb 0.40 -0.55 -0.11 0.00 -0.31 0.00 0.00 39.34 38.77 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 -2.29 4.10 -0.34 -0.72 1.01 -1.26 -0.15 120.40 120.75 2wh8 s VAL 393 Ca -0.19 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 2wh8 s VAL 393 Cb 0.05 -2.78 0.03 0.00 0.00 0.00 0.00 36.38 33.68 2wh8 s VAL 393 CO 0.33 0.52 0.14 -0.60 0.00 0.00 0.00 175.10 175.49 2wh8 s ARG 394 N 0.02 2.81 -0.14 2.72 3.52 0.50 -4.80 118.95 123.58 2wh8 s ARG 394 Ca 0.02 -1.07 -0.15 0.00 -0.13 0.00 0.00 55.73 54.40 2wh8 s ARG 394 Cb -0.13 -3.55 0.04 0.00 -1.56 0.00 0.00 34.95 29.75 2wh8 s ARG 394 CO 0.02 -0.63 0.42 -0.98 -0.81 0.00 0.00 175.30 173.33 2wh8 s ARG 395 N 1.48 0.52 0.30 5.12 1.04 -1.26 -4.58 118.95 121.58 2wh8 s ARG 395 Ca 0.01 0.52 -0.27 0.00 -1.04 0.00 0.00 55.73 54.94 2wh8 s ARG 395 Cb -0.19 0.25 -0.09 0.00 -2.04 0.00 0.00 34.95 32.88 2wh8 s ARG 395 CO 0.04 -0.08 0.97 -1.25 -0.04 0.00 0.00 175.30 174.95 2wh8 s PRO 396 N 0.06 4.62 0.29 3.89 0.04 -1.26 -0.75 135.00 141.90 2wh8 s PRO 396 Ca -0.01 1.45 0.21 0.00 0.04 0.00 0.00 61.00 62.69 2wh8 s PRO 396 Cb -0.03 -2.96 0.13 0.00 0.04 0.00 0.00 34.50 31.68 2wh8 s PRO 396 CO 0.01 0.29 1.29 -0.07 0.04 0.00 0.00 177.00 178.57 2wh8 h LEU 397 N 3.46 0.00 -7.03 -3.56 3.38 -0.23 -3.44 115.31 107.88 2wh8 h LEU 397 Ca -0.46 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.53 2wh8 h LEU 397 Cb 1.20 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.73 2wh8 h LEU 397 CO 0.66 0.10 -0.13 -0.55 0.09 0.00 0.00 178.44 178.61 2wh8 s SER 398 N -5.86 -0.93 -0.49 -0.43 0.15 -1.11 -4.54 113.70 100.50 2wh8 s SER 398 Ca 0.03 1.44 0.03 0.00 0.70 0.00 0.00 55.95 58.15 2wh8 s SER 398 Cb 0.07 1.80 0.16 0.00 -1.71 0.00 0.00 66.02 66.34 2wh8 s SER 398 CO 0.74 -0.23 0.34 -0.69 1.20 0.00 0.00 173.24 174.60 2wh8 s VAL 399 N 2.38 1.37 0.16 4.45 1.01 -1.26 -1.61 120.40 126.91 2wh8 s VAL 399 Ca -0.07 -2.99 -0.33 0.00 0.00 0.00 0.00 61.98 58.59 2wh8 s VAL 399 Cb -0.10 -1.94 -0.16 0.00 0.00 0.00 0.00 36.38 34.19 2wh8 s VAL 399 CO -0.18 -1.04 1.17 -2.65 0.00 0.00 0.00 175.10 172.39 2wh8 n PRO 400 N 2.93 1.13 -3.96 2.72 -0.02 -1.26 -2.17 135.00 134.36 2wh8 n PRO 400 Ca 0.19 0.40 -0.17 0.00 -2.02 0.00 0.00 63.50 61.90 2wh8 n PRO 400 Cb 0.39 -1.90 -0.16 0.00 -0.02 0.00 0.00 33.50 31.81 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 -0.16 0.35 0.01 6.00 5.36 0.60 -4.24 117.98 125.91 2wh8 s PHE 401 Ca 0.74 -0.02 0.08 0.00 -0.96 0.00 0.00 56.93 56.77 2wh8 s PHE 401 Cb -0.87 -0.42 -0.03 0.00 -0.34 0.00 0.00 43.02 41.37 2wh8 s PHE 401 CO 0.52 -0.13 -0.24 -0.98 -1.46 0.00 0.00 175.22 172.93 2wh8 s ARG 402 N 0.94 2.01 0.00 10.12 1.04 -0.34 -1.16 118.95 131.56 2wh8 s ARG 402 Ca -0.10 -0.99 0.00 0.00 -1.04 0.00 0.00 55.73 53.60 2wh8 s ARG 402 Cb -0.13 -2.07 0.00 0.00 -2.04 0.00 0.00 34.95 30.71 2wh8 s ARG 402 CO -0.01 0.54 0.05 1.33 -0.04 0.00 0.00 175.30 177.17