#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 -2.38 0.66 -0.00 -1.26 -4.54 115.22 107.70 2wh8 n HIS 7 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.32 2wh8 n HIS 7 Cb 0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 2wh8 n HIS 7 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2wh8 s GLU 8 N -2.33 4.56 0.23 -0.41 0.41 -1.26 -4.64 118.70 115.27 2wh8 s GLU 8 Ca 0.22 1.92 -0.31 0.00 -0.41 0.00 0.00 54.97 56.39 2wh8 s GLU 8 Cb 0.19 -3.16 -0.10 0.00 -1.78 0.00 0.00 34.13 29.28 2wh8 s GLU 8 CO 0.48 0.10 1.52 0.12 -0.49 0.00 0.00 175.26 177.00 2wh8 s PHE 9 N -1.14 2.97 -0.02 1.61 5.36 -1.26 -4.99 117.98 120.51 2wh8 s PHE 9 Ca 0.46 0.82 -0.25 0.00 -0.96 0.00 0.00 56.93 57.00 2wh8 s PHE 9 Cb -0.34 -3.92 0.05 0.00 -0.34 0.00 0.00 43.02 38.48 2wh8 s PHE 9 CO 0.44 -3.16 0.54 1.14 -1.46 0.00 0.00 175.22 172.72 2wh8 s GLN 10 N 0.14 0.94 0.22 10.12 -2.07 -1.26 -5.14 119.66 122.61 2wh8 s GLN 10 Ca 0.64 0.02 -0.30 0.00 -1.82 0.00 0.00 55.36 53.91 2wh8 s GLN 10 Cb -0.44 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 31.83 2wh8 s GLN 10 CO 0.40 -0.30 1.31 -0.51 -1.32 0.00 0.00 175.29 174.87 2wh8 s LEU 11 N -1.40 4.42 0.66 2.60 1.43 -1.26 -4.96 118.68 120.17 2wh8 s LEU 11 Ca -0.11 2.44 -0.16 0.00 -1.03 0.00 0.00 54.13 55.27 2wh8 s LEU 11 Cb -0.02 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2wh8 s LEU 11 CO 0.06 -0.52 1.17 0.00 0.23 0.00 0.00 176.35 177.29 2wh8 s ALA 12 N -0.08 2.37 0.34 4.21 0.00 -1.26 -5.01 121.76 122.34 2wh8 s ALA 12 Ca 0.55 0.82 0.03 0.00 0.00 0.00 0.00 51.96 53.37 2wh8 s ALA 12 Cb -0.37 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.30 2wh8 s ALA 12 CO 0.40 -1.44 0.12 0.95 0.00 0.00 0.00 175.76 175.79 2wh8 s THR 13 N -1.96 0.62 0.47 0.00 -4.23 -1.26 -3.99 115.64 105.29 2wh8 s THR 13 Ca 0.73 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.43 2wh8 s THR 13 Cb -0.27 -2.53 0.37 0.00 1.34 0.00 0.00 72.50 71.41 2wh8 s THR 13 CO 0.40 0.00 1.96 0.00 -0.54 0.00 0.00 174.62 176.44 2wh8 h ALA 14 N 2.06 2.26 0.00 3.99 0.00 -1.84 0.41 119.26 126.14 2wh8 h ALA 14 Ca -0.36 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 2wh8 h ALA 14 Cb 1.26 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2wh8 h ALA 14 CO 0.58 -0.43 -0.53 0.93 0.00 0.00 0.00 179.25 179.80 2wh8 h GLU 15 N 0.24 0.00 -0.01 0.00 3.07 -1.91 -3.28 114.58 112.69 2wh8 h GLU 15 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2wh8 h GLU 15 Cb 0.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 2wh8 h GLU 15 CO -0.06 0.53 -0.54 0.25 -1.40 0.00 0.00 179.01 177.79 2wh8 n THR 16 N -3.73 0.00 0.27 1.13 -2.24 -0.10 -4.49 114.28 105.12 2wh8 n THR 16 Ca -0.01 -0.23 0.13 0.00 -2.27 0.00 0.00 64.05 61.67 2wh8 n THR 16 Cb 0.57 1.13 0.77 0.00 -2.10 0.00 0.00 70.33 70.70 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 1.20 0.00 -0.84 4.78 -0.00 -1.06 -3.19 115.95 116.84 2wh8 h TRP 17 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.89 58.93 2wh8 h TRP 17 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 29.63 2wh8 h TRP 17 CO 0.00 0.09 0.55 -1.35 -0.00 0.00 0.00 178.44 177.73 2wh8 h PRO 18 N 0.00 1.00 -1.25 0.49 0.11 -1.78 -3.37 132.00 127.20 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 0.24 -0.23 -0.30 0.00 0.11 0.00 0.00 31.00 30.83 2wh8 h PRO 18 CO 0.01 0.66 -0.88 -1.71 -0.21 0.00 0.00 178.00 175.87 2wh8 n ASN 19 N -4.45 -0.85 -0.03 -2.05 5.15 -1.20 -4.94 115.26 106.88 2wh8 n ASN 19 Ca 0.11 -3.01 0.16 0.00 -0.60 0.00 0.00 54.58 51.24 2wh8 n ASN 19 Cb 0.12 0.31 0.90 0.00 -0.53 0.00 0.00 39.78 40.59 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 1.22 1.05 -0.10 1.20 -0.04 -1.23 -4.37 135.00 132.73 2wh8 n PRO 20 Ca 0.17 -0.07 -0.07 0.00 -0.04 0.00 0.00 63.50 63.48 2wh8 n PRO 20 Cb 0.59 -1.49 0.09 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.17 0.89 -0.81 0.54 -0.00 -1.93 -1.62 115.95 113.20 2wh8 h TRP 21 Ca 0.00 -0.19 -0.02 0.00 -0.00 0.00 0.00 58.89 58.67 2wh8 h TRP 21 Cb 0.04 -0.22 -0.04 0.00 -0.00 0.00 0.00 29.16 28.94 2wh8 h TRP 21 CO 0.00 0.92 0.41 -1.35 -0.00 0.00 0.00 178.44 178.42 2wh8 h PRO 22 N 0.70 1.14 0.07 0.49 0.11 -1.94 0.59 132.00 133.16 2wh8 h PRO 22 Ca 0.10 -0.15 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 2wh8 h PRO 22 Cb 0.70 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2wh8 h PRO 22 CO 0.05 0.86 -0.03 1.98 -0.21 0.00 0.00 178.00 180.65 2wh8 h MET 23 N 1.14 -0.09 -0.77 1.05 4.05 -1.64 -0.62 114.93 118.07 2wh8 h MET 23 Ca 0.28 0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.79 2wh8 h MET 23 Cb 0.07 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 30.83 2wh8 h MET 23 CO -0.04 -0.03 0.43 1.88 0.23 0.00 0.00 176.91 179.39 2wh8 h TYR 24 N -0.12 0.79 -0.42 1.39 0.05 -0.81 -2.19 116.97 115.65 2wh8 h TYR 24 Ca -0.01 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.80 2wh8 h TYR 24 Cb 0.10 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 2wh8 h TYR 24 CO -0.06 0.35 0.28 -0.09 -1.05 0.00 0.00 178.16 177.58 2wh8 h ARG 25 N 0.76 0.55 -0.53 4.88 1.12 -0.50 -1.16 114.38 119.51 2wh8 h ARG 25 Ca 0.36 -0.03 0.02 0.00 -1.11 0.00 0.00 59.98 59.21 2wh8 h ARG 25 Cb 0.28 -0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 30.08 2wh8 h ARG 25 CO -0.22 0.36 0.33 0.00 -3.11 0.00 0.00 179.97 177.34 2wh8 h ALA 26 N 1.16 0.68 -0.14 2.80 0.00 -0.73 -1.19 119.26 121.83 2wh8 h ALA 26 Ca 0.16 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2wh8 h ALA 26 Cb -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2wh8 h ALA 26 CO -0.04 0.07 0.05 -0.07 0.00 0.00 0.00 179.25 179.26 2wh8 h LEU 27 N 0.67 0.06 -1.35 0.00 3.38 -0.98 0.25 115.31 117.35 2wh8 h LEU 27 Ca 0.20 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2wh8 h LEU 27 Cb -0.03 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2wh8 h LEU 27 CO -0.07 0.05 0.21 0.03 0.09 0.00 0.00 178.44 178.75 2wh8 h ARG 28 N 0.12 0.65 0.12 1.13 3.08 -0.84 0.19 114.38 118.82 2wh8 h ARG 28 Ca 0.06 -0.08 -0.33 0.00 0.07 0.00 0.00 59.98 59.69 2wh8 h ARG 28 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2wh8 h ARG 28 CO -0.06 0.52 -1.77 -0.44 -1.07 0.00 0.00 179.97 177.16 2wh8 h ASP 29 N 0.65 0.39 0.00 7.04 3.32 -1.07 -3.39 116.42 123.36 2wh8 h ASP 29 Ca 0.16 -0.69 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2wh8 h ASP 29 Cb 0.10 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2wh8 h ASP 29 CO -0.02 1.60 -0.79 1.41 -1.72 0.00 0.00 179.24 179.71 2wh8 n HIS 30 N -3.43 0.00 -2.75 4.55 8.25 0.06 -4.88 115.22 117.02 2wh8 n HIS 30 Ca -0.24 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.14 2wh8 n HIS 30 Cb 1.05 -0.07 0.06 0.00 1.12 0.00 0.00 29.99 32.16 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 -1.43 -2.58 0.27 0.41 2.03 0.53 -5.01 116.55 110.76 2wh8 n ASP 31 Ca -0.00 -3.47 0.18 0.00 0.52 0.00 0.00 54.79 52.01 2wh8 n ASP 31 Cb 0.11 1.82 0.84 0.00 -0.72 0.00 0.00 41.12 43.17 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 3.55 0.00 -2.99 -0.67 0.13 -1.39 -3.14 132.00 127.49 2wh8 h PRO 32 Ca -0.12 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.39 2wh8 h PRO 32 Cb 1.06 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.77 2wh8 h PRO 32 CO 0.25 0.00 -0.61 0.28 -0.23 0.00 0.00 178.00 177.69 2wh8 n VAL 33 N -2.87 1.42 -3.31 1.56 0.31 -1.26 -3.18 118.33 111.01 2wh8 n VAL 33 Ca -0.01 -4.76 -0.38 0.00 -0.01 0.00 0.00 64.34 59.18 2wh8 n VAL 33 Cb 0.18 -2.14 -0.06 0.00 -0.91 0.00 0.00 33.84 30.91 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 -1.38 3.53 -0.26 3.52 2.46 -0.27 -4.86 115.29 118.03 2wh8 s HIS 34 Ca 0.26 0.91 -0.17 0.00 0.47 0.00 0.00 55.06 56.53 2wh8 s HIS 34 Cb -0.03 -2.54 -0.03 0.00 -0.13 0.00 0.00 32.58 29.85 2wh8 s HIS 34 CO -0.17 0.20 0.47 -1.58 -2.47 0.00 0.00 174.74 171.19 2wh8 s HIS 35 N 0.51 3.27 -0.31 3.88 2.46 -1.26 -0.57 115.29 123.27 2wh8 s HIS 35 Ca 0.26 0.58 -0.11 0.00 0.47 0.00 0.00 55.06 56.26 2wh8 s HIS 35 Cb -0.15 -2.67 -0.03 0.00 -0.13 0.00 0.00 32.58 29.60 2wh8 s HIS 35 CO 0.11 -0.25 0.20 0.08 -2.47 0.00 0.00 174.74 172.40 2wh8 s VAL 36 N 2.18 5.11 -0.44 0.89 1.01 0.92 -4.99 120.40 125.08 2wh8 s VAL 36 Ca 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 2wh8 s VAL 36 Cb -0.16 -3.54 0.12 0.00 0.00 0.00 0.00 36.38 32.80 2wh8 s VAL 36 CO 0.09 0.11 0.23 -0.69 0.00 0.00 0.00 175.10 174.85 2wh8 s VAL 37 N 1.71 3.30 0.03 2.92 1.01 -1.26 -1.06 120.40 127.05 2wh8 s VAL 37 Ca 0.06 -2.21 -0.30 0.00 0.00 0.00 0.00 61.98 59.53 2wh8 s VAL 37 Cb -0.17 -3.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.89 2wh8 s VAL 37 CO 0.09 -0.72 1.66 -2.84 0.00 0.00 0.00 175.10 173.30 2wh8 s PRO 38 N 0.95 4.20 0.23 2.72 0.02 -1.26 -4.85 135.00 137.00 2wh8 s PRO 38 Ca 0.10 2.29 -0.07 0.00 0.02 0.00 0.00 61.00 63.34 2wh8 s PRO 38 Cb -0.22 -3.73 0.35 0.00 0.02 0.00 0.00 34.50 30.92 2wh8 s PRO 38 CO -0.04 -0.77 1.76 -1.35 -0.33 0.00 0.00 177.00 176.28 2wh8 h PRO 39 N 8.74 0.53 0.00 5.54 0.11 -1.98 -0.20 132.00 144.74 2wh8 h PRO 39 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wh8 h PRO 39 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2wh8 h PRO 39 CO 0.93 0.35 0.00 1.04 -0.21 0.00 0.00 178.00 180.11 2wh8 n GLN 40 N -4.91 0.14 -2.82 1.05 3.00 -1.26 -4.18 117.38 108.40 2wh8 n GLN 40 Ca 0.11 0.09 -0.08 0.00 -0.01 0.00 0.00 57.00 57.11 2wh8 n GLN 40 Cb 0.30 -1.50 0.01 0.00 0.00 0.00 0.00 30.24 29.06 2wh8 n GLN 40 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2wh8 n ARG 41 N -1.41 0.61 0.19 -1.09 1.85 -0.17 -5.01 116.66 111.63 2wh8 n ARG 41 Ca 0.08 -2.06 0.14 0.00 -1.00 0.00 0.00 57.85 55.01 2wh8 n ARG 41 Cb 0.24 -1.47 0.65 0.00 -1.05 0.00 0.00 32.46 30.82 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 4.64 0.00 0.00 2.89 0.13 -1.49 -1.04 132.00 137.14 2wh8 h PRO 42 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2wh8 h PRO 42 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2wh8 h PRO 42 CO 0.17 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 178.87 2wh8 h GLU 43 N 0.00 0.00 -0.83 0.86 3.07 -1.95 -2.78 114.58 112.95 2wh8 h GLU 43 Ca 0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 2wh8 h GLU 43 Cb 0.24 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 27.87 2wh8 h GLU 43 CO 0.00 0.00 0.38 0.66 -1.40 0.00 0.00 179.01 178.65 2wh8 n TYR 44 N -3.03 2.69 -1.58 4.33 4.02 -0.39 -5.00 117.16 118.20 2wh8 n TYR 44 Ca -0.01 -2.30 -0.34 0.00 -0.01 0.00 0.00 57.90 55.23 2wh8 n TYR 44 Cb 0.17 -0.96 0.08 0.00 -0.02 0.00 0.00 39.34 38.60 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 -2.08 4.48 0.38 7.72 -4.77 -1.05 -4.69 116.67 116.66 2wh8 s ASP 45 Ca 0.57 2.32 -0.08 0.00 -3.30 0.00 0.00 52.55 52.06 2wh8 s ASP 45 Cb 0.47 -2.59 0.03 0.00 -1.09 0.00 0.00 42.92 39.74 2wh8 s ASP 45 CO 0.03 -2.07 0.64 0.00 0.70 0.00 0.00 175.17 174.47 2wh8 n TYR 46 N -2.48 -1.90 -4.42 2.11 0.18 -0.22 -4.54 117.16 105.90 2wh8 n TYR 46 Ca 0.13 -2.19 -0.21 0.00 1.88 0.00 0.00 57.90 57.51 2wh8 n TYR 46 Cb 0.50 0.74 -0.10 0.00 -0.38 0.00 0.00 39.34 40.10 2wh8 n TYR 46 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 2wh8 s TYR 47 N -2.50 1.93 -0.05 -3.48 2.02 -0.28 -0.06 117.35 114.93 2wh8 s TYR 47 Ca 0.24 -0.66 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 2wh8 s TYR 47 Cb -0.03 -1.06 0.03 0.00 -0.40 0.00 0.00 41.96 40.50 2wh8 s TYR 47 CO 0.17 0.32 -0.02 0.08 -1.57 0.00 0.00 175.55 174.53 2wh8 s VAL 48 N -2.98 0.37 -0.18 0.71 1.01 0.27 -0.20 120.40 119.41 2wh8 s VAL 48 Ca 0.28 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 2wh8 s VAL 48 Cb 0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 2wh8 s VAL 48 CO 0.11 0.21 -0.00 -0.76 0.00 0.00 0.00 175.10 174.66 2wh8 s LEU 49 N 1.25 3.37 0.00 3.92 1.43 -0.22 -1.12 118.68 127.31 2wh8 s LEU 49 Ca -0.06 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2wh8 s LEU 49 Cb -0.13 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.25 2wh8 s LEU 49 CO -0.02 0.13 0.00 -1.54 0.23 0.00 0.00 176.35 175.15 2wh8 n SER 50 N 3.78 2.69 -4.82 2.29 3.41 -1.19 -1.17 113.62 118.61 2wh8 n SER 50 Ca -0.17 -0.17 -0.35 0.00 -0.26 0.00 0.00 58.87 57.92 2wh8 n SER 50 Cb 0.52 0.88 -0.06 0.00 -0.26 0.00 0.00 64.21 65.29 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 -1.41 4.23 0.16 4.33 0.52 -1.26 -3.00 118.95 122.51 2wh8 s ARG 51 Ca 0.00 0.93 -0.16 0.00 -0.52 0.00 0.00 55.73 55.98 2wh8 s ARG 51 Cb 0.00 -2.64 0.08 0.00 0.52 0.00 0.00 34.95 32.91 2wh8 s ARG 51 CO 0.00 0.24 1.73 1.25 0.02 0.00 0.00 175.30 178.55 2wh8 h HIS 52 N 2.82 0.15 -0.68 -0.53 -0.00 -1.86 -0.11 115.15 114.94 2wh8 h HIS 52 Ca -0.48 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 59.89 2wh8 h HIS 52 Cb 1.19 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 28.55 2wh8 h HIS 52 CO 0.62 0.04 0.34 0.00 -0.00 0.00 0.00 177.93 178.93 2wh8 h ALA 53 N 1.26 0.88 -0.22 5.26 0.00 -1.94 -0.06 119.26 124.44 2wh8 h ALA 53 Ca 0.17 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2wh8 h ALA 53 Cb 0.19 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wh8 h ALA 53 CO -0.21 0.43 -0.23 -0.44 0.00 0.00 0.00 179.25 178.80 2wh8 h ASP 54 N 0.95 0.59 -0.40 0.00 3.32 -1.90 -1.80 116.42 117.16 2wh8 h ASP 54 Ca 0.24 -0.48 -0.13 0.00 0.02 0.00 0.00 57.03 56.68 2wh8 h ASP 54 Cb 0.10 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2wh8 h ASP 54 CO -0.03 0.94 -0.24 0.58 -1.72 0.00 0.00 179.24 178.77 2wh8 h VAL 55 N 0.24 1.27 0.29 -1.35 2.07 -0.84 -1.05 116.25 116.88 2wh8 h VAL 55 Ca 0.03 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 2wh8 h VAL 55 Cb 0.78 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2wh8 h VAL 55 CO 0.06 0.48 -0.14 -0.25 0.02 0.00 0.00 177.57 177.73 2wh8 h TRP 56 N 0.79 -0.36 -0.24 1.57 2.91 -0.96 0.12 115.95 119.78 2wh8 h TRP 56 Ca 0.10 -0.01 0.06 0.00 1.13 0.00 0.00 58.89 60.17 2wh8 h TRP 56 Cb 0.80 0.12 -0.06 0.00 -0.51 0.00 0.00 29.16 29.51 2wh8 h TRP 56 CO 0.05 -0.18 -0.14 0.77 -1.03 0.00 0.00 178.44 177.91 2wh8 h SER 57 N -0.44 -0.45 -0.67 2.65 0.02 -1.30 -2.37 113.55 110.98 2wh8 h SER 57 Ca -0.04 0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 2wh8 h SER 57 Cb 0.34 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 2wh8 h SER 57 CO 0.06 -0.17 0.23 0.00 -1.14 0.00 0.00 176.83 175.82 2wh8 h ALA 58 N 1.07 0.88 -0.60 3.77 0.00 -0.94 -0.90 119.26 122.53 2wh8 h ALA 58 Ca 0.13 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wh8 h ALA 58 Cb 0.31 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2wh8 h ALA 58 CO -0.31 0.53 0.37 0.00 0.00 0.00 0.00 179.25 179.84 2wh8 h ALA 59 N 1.10 0.77 -0.67 0.00 0.00 -0.83 -2.82 119.26 116.81 2wh8 h ALA 59 Ca 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2wh8 h ALA 59 Cb 0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2wh8 h ALA 59 CO -0.01 0.24 0.29 -0.09 0.00 0.00 0.00 179.25 179.68 2wh8 h ARG 60 N 0.82 0.98 -4.57 0.00 9.65 -0.86 -3.38 114.38 117.02 2wh8 h ARG 60 Ca 0.22 -0.16 -0.71 0.00 -1.10 0.00 0.00 59.98 58.22 2wh8 h ARG 60 Cb -0.03 -0.17 -0.10 0.00 -1.39 0.00 0.00 29.97 28.29 2wh8 h ARG 60 CO -0.04 0.80 2.37 -3.47 2.80 0.00 0.00 179.97 182.43 2wh8 n ASP 61 N -4.43 4.63 0.28 -3.80 2.03 -0.40 -4.66 116.55 110.21 2wh8 n ASP 61 Ca 0.05 -2.94 0.16 0.00 0.52 0.00 0.00 54.79 52.58 2wh8 n ASP 61 Cb 0.15 -1.64 0.84 0.00 -0.72 0.00 0.00 41.12 39.76 2wh8 n ASP 61 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 2wh8 h HIS 62 N 6.59 0.00 -0.28 -0.67 2.07 -1.76 0.14 115.15 121.24 2wh8 h HIS 62 Ca 0.46 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.85 2wh8 h HIS 62 Cb 0.74 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.71 2wh8 h HIS 62 CO 1.35 0.07 -0.37 1.96 -3.07 0.00 0.00 177.93 177.87 2wh8 h GLN 63 N 0.00 0.65 0.12 5.12 7.50 -1.94 -3.28 115.11 123.27 2wh8 h GLN 63 Ca -0.00 -0.32 -0.36 0.00 0.50 0.00 0.00 58.65 58.47 2wh8 h GLN 63 Cb 0.27 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.79 2wh8 h GLN 63 CO 0.01 0.92 -1.97 2.41 -1.50 0.00 0.00 178.83 178.70 2wh8 n THR 64 N -4.05 1.78 -3.60 -0.54 -1.04 -1.04 -4.60 114.28 101.19 2wh8 n THR 64 Ca -0.01 -0.67 -0.40 0.00 -2.04 0.00 0.00 64.05 60.93 2wh8 n THR 64 Cb 0.51 -1.69 -0.07 0.00 -1.82 0.00 0.00 70.33 67.26 2wh8 n THR 64 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2wh8 s PHE 65 N -2.56 3.51 0.29 -1.42 0.08 0.46 -0.97 117.98 117.36 2wh8 s PHE 65 Ca -0.21 -2.49 -0.21 0.00 0.12 0.00 0.00 56.93 54.14 2wh8 s PHE 65 Cb 0.07 -3.38 -0.09 0.00 -0.57 0.00 0.00 43.02 39.04 2wh8 s PHE 65 CO 0.78 -0.89 0.82 0.45 -0.10 0.00 0.00 175.22 176.28 2wh8 s SER 66 N 1.16 7.10 0.00 1.36 0.15 0.09 -4.34 113.70 119.22 2wh8 s SER 66 Ca 0.17 1.56 0.24 0.00 0.70 0.00 0.00 55.95 58.63 2wh8 s SER 66 Cb -0.18 -2.48 0.32 0.00 -1.71 0.00 0.00 66.02 61.98 2wh8 s SER 66 CO -0.05 -0.08 1.31 -1.20 1.20 0.00 0.00 173.24 174.42 2wh8 n SER 67 N 0.37 2.05 0.14 5.45 7.64 -1.26 -0.76 113.62 127.25 2wh8 n SER 67 Ca 0.01 -1.54 0.13 0.00 1.01 0.00 0.00 58.87 58.48 2wh8 n SER 67 Cb 0.51 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 h ALA 68 N 4.14 1.00 -0.07 -0.43 0.00 -1.86 -2.62 119.26 119.42 2wh8 h ALA 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wh8 h ALA 68 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2wh8 h ALA 68 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 2wh8 n GLN 69 N -2.34 2.30 0.00 0.00 1.13 -1.26 -4.94 117.38 112.27 2wh8 n GLN 69 Ca 0.03 -1.90 0.00 0.00 -1.94 0.00 0.00 57.00 53.19 2wh8 n GLN 69 Cb 0.28 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.17 2wh8 n GLN 69 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wh8 n GLY 70 N 1.35 1.93 0.00 1.08 0.00 -0.99 -3.63 105.19 104.94 2wh8 n GLY 70 Ca 0.15 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 44.00 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 1.73 -4.95 0.99 4.77 -1.26 -4.57 117.00 113.72 2wh8 n LEU 71 Ca 0.00 -1.73 -0.21 0.00 -0.03 0.00 0.00 56.01 54.03 2wh8 n LEU 71 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2wh8 n LEU 71 CO 0.00 0.43 0.14 0.42 -1.33 0.00 0.00 177.39 177.05 2wh8 s THR 72 N -0.74 2.30 -2.09 -5.08 -4.23 -1.26 -0.10 115.64 104.45 2wh8 s THR 72 Ca 0.00 -1.23 0.24 0.00 -1.18 0.00 0.00 61.69 59.52 2wh8 s THR 72 Cb 0.00 -2.53 0.62 0.00 1.34 0.00 0.00 72.50 71.93 2wh8 s THR 72 CO 0.00 0.00 1.83 1.33 -0.54 0.00 0.00 174.62 177.24 2wh8 n VAL 73 N -1.85 0.03 -2.77 2.29 0.24 -1.26 -4.68 118.33 110.33 2wh8 n VAL 73 Ca 0.06 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.34 61.86 2wh8 n VAL 73 Cb 0.62 -0.17 -0.04 0.00 -1.47 0.00 0.00 33.84 32.78 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 -1.73 6.55 0.57 -1.34 0.01 -1.26 -4.96 114.94 112.78 2wh8 s ASN 74 Ca 0.35 0.26 -0.20 0.00 -0.71 0.00 0.00 52.86 52.56 2wh8 s ASN 74 Cb 0.17 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 2wh8 s ASN 74 CO 0.28 -1.06 1.25 -0.31 -1.51 0.00 0.00 177.10 175.74 2wh8 s TYR 75 N 3.85 2.38 0.00 2.20 2.02 -1.26 -2.85 117.35 123.69 2wh8 s TYR 75 Ca 0.39 1.48 0.00 0.00 -0.37 0.00 0.00 57.07 58.58 2wh8 s TYR 75 Cb -0.10 -3.57 0.00 0.00 -0.40 0.00 0.00 41.96 37.90 2wh8 s TYR 75 CO 0.26 -2.37 0.00 0.41 -1.57 0.00 0.00 175.55 172.28 2wh8 n GLY 76 N 0.60 1.16 0.40 0.71 0.00 -1.26 -4.97 105.19 101.84 2wh8 n GLY 76 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 2wh8 n GLY 76 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wh8 h GLU 77 N 3.45 -0.09 -0.56 1.61 4.81 -1.75 0.36 114.58 122.41 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 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 2wh8 h GLU 77 CO 0.00 -0.06 0.28 1.25 -0.73 0.00 0.00 179.01 179.75 2wh8 h LEU 78 N -0.09 0.39 0.23 1.64 5.85 -1.89 -0.52 115.31 120.92 2wh8 h LEU 78 Ca 0.21 0.03 -0.33 0.00 0.84 0.00 0.00 57.88 58.64 2wh8 h LEU 78 Cb 0.52 -0.04 0.03 0.00 0.37 0.00 0.00 40.66 41.54 2wh8 h LEU 78 CO -0.86 0.26 -1.49 -0.08 -0.34 0.00 0.00 178.44 175.94 2wh8 h GLU 79 N 0.53 0.48 -0.73 1.25 4.57 -1.80 0.18 114.58 119.07 2wh8 h GLU 79 Ca 0.25 -0.82 -0.01 0.00 -1.18 0.00 0.00 59.36 57.60 2wh8 h GLU 79 Cb 0.17 0.30 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 2wh8 h GLU 79 CO -0.18 1.39 0.40 0.52 -1.18 0.00 0.00 179.01 179.96 2wh8 h MET 80 N 0.07 1.00 0.00 1.92 2.86 -0.71 -2.15 114.93 117.91 2wh8 h MET 80 Ca -0.27 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.20 2wh8 h MET 80 Cb 2.09 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 33.54 2wh8 h MET 80 CO 0.24 0.73 -0.66 0.97 1.06 0.00 0.00 176.91 179.25 2wh8 h ILE 81 N 1.01 0.37 -0.34 -1.22 2.10 -1.13 -3.49 117.51 114.82 2wh8 h ILE 81 Ca 0.26 -1.58 0.00 0.00 1.08 0.00 0.00 64.86 64.61 2wh8 h ILE 81 Cb 0.02 2.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.78 2wh8 h ILE 81 CO -0.04 0.21 0.00 0.61 -1.08 0.00 0.00 178.15 177.85 2wh8 n GLY 82 N 1.22 1.00 0.26 8.18 0.00 -0.35 -5.01 105.19 110.48 2wh8 n GLY 82 Ca -0.00 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.17 2.47 0.06 0.99 4.32 0.50 -4.78 117.00 120.39 2wh8 n LEU 83 Ca 0.00 -2.25 -0.13 0.00 -0.02 0.00 0.00 56.01 53.62 2wh8 n LEU 83 Cb 0.17 -0.17 -0.08 0.00 -1.62 0.00 0.00 43.42 41.72 2wh8 n LEU 83 CO 0.00 0.61 0.81 -0.74 -1.22 0.00 0.00 177.39 176.85 2wh8 h HIS 84 N 0.72 -0.08 -0.45 -1.77 -0.00 -1.92 -2.90 115.15 108.75 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 0.72 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.14 2wh8 h HIS 84 CO 0.11 0.03 -0.20 -0.44 -0.00 0.00 0.00 177.93 177.43 2wh8 h ASP 85 N -0.16 0.91 -2.42 3.26 5.19 -1.95 -3.36 116.42 117.88 2wh8 h ASP 85 Ca -0.01 -0.33 -0.59 0.00 -0.62 0.00 0.00 57.03 55.48 2wh8 h ASP 85 Cb 0.14 -0.25 -0.38 0.00 0.18 0.00 0.00 39.33 39.02 2wh8 h ASP 85 CO 0.01 1.08 -0.94 -0.89 -3.12 0.00 0.00 179.24 175.38 2wh8 s THR 86 N -4.67 0.52 0.60 0.35 2.01 -1.25 -5.13 115.64 108.07 2wh8 s THR 86 Ca -0.10 -2.74 -0.13 0.00 0.31 0.00 0.00 61.69 59.02 2wh8 s THR 86 Cb 0.13 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2wh8 s THR 86 CO 0.85 -1.21 1.03 -2.16 -0.69 0.00 0.00 174.62 172.44 2wh8 s PRO 87 N -0.02 3.53 0.88 4.92 0.04 -1.09 -4.92 135.00 138.33 2wh8 s PRO 87 Ca 0.32 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.15 2wh8 s PRO 87 Cb 0.02 -2.07 0.12 0.00 0.04 0.00 0.00 34.50 32.62 2wh8 s PRO 87 CO -0.19 -0.63 1.10 -1.25 0.04 0.00 0.00 177.00 176.07 2wh8 s PRO 88 N -4.73 1.34 0.52 0.56 0.04 -1.26 -4.90 135.00 126.56 2wh8 s PRO 88 Ca 0.58 1.09 0.26 0.00 0.04 0.00 0.00 61.00 62.96 2wh8 s PRO 88 Cb -0.12 -1.80 1.42 0.00 0.04 0.00 0.00 34.50 34.04 2wh8 s PRO 88 CO 0.46 -2.26 2.08 0.00 0.04 0.00 0.00 177.00 177.32 2wh8 h MET 89 N -1.58 0.00 0.00 4.56 -0.00 -1.94 -0.70 114.93 115.27 2wh8 h MET 89 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.23 2wh8 h MET 89 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.87 2wh8 h MET 89 CO 0.50 0.12 0.00 1.33 -0.00 0.00 0.00 176.91 178.86 2wh8 n VAL 90 N -3.77 0.43 -1.41 -0.10 0.24 -1.26 -2.35 118.33 110.11 2wh8 n VAL 90 Ca -0.02 0.11 -0.01 0.00 -2.04 0.00 0.00 64.34 62.37 2wh8 n VAL 90 Cb 0.22 -0.73 0.20 0.00 -1.47 0.00 0.00 33.84 32.07 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 -1.46 1.89 -4.38 7.34 2.81 -0.28 -4.84 117.12 118.21 2wh8 n MET 91 Ca 0.06 -3.15 -0.30 0.00 -1.81 0.00 0.00 57.70 52.51 2wh8 n MET 91 Cb 0.25 -1.79 -0.12 0.00 -0.71 0.00 0.00 33.22 30.85 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 -3.20 1.85 0.22 0.03 -0.21 -0.99 -3.99 119.66 113.39 2wh8 s GLN 92 Ca 0.43 -1.13 0.07 0.00 0.02 0.00 0.00 55.36 54.75 2wh8 s GLN 92 Cb 0.39 -2.13 -0.04 0.00 1.00 0.00 0.00 33.01 32.23 2wh8 s GLN 92 CO -0.00 0.49 0.11 -0.51 -2.12 0.00 0.00 175.29 173.26 2wh8 s ASP 93 N -1.99 5.20 0.51 5.90 1.01 -1.26 -4.71 116.67 121.34 2wh8 s ASP 93 Ca 0.17 -0.33 -0.23 0.00 0.71 0.00 0.00 52.55 52.88 2wh8 s ASP 93 Cb -0.11 -1.24 -0.06 0.00 1.01 0.00 0.00 42.92 42.53 2wh8 s ASP 93 CO 0.09 0.01 1.36 -2.84 0.21 0.00 0.00 175.17 174.01 2wh8 s PRO 94 N -3.50 3.35 0.39 8.23 0.02 -1.26 -1.29 135.00 140.95 2wh8 s PRO 94 Ca 0.31 2.25 0.21 0.00 0.02 0.00 0.00 61.00 63.79 2wh8 s PRO 94 Cb -0.08 -2.38 0.26 0.00 0.02 0.00 0.00 34.50 32.32 2wh8 s PRO 94 CO 0.22 -1.03 1.56 -1.00 -0.33 0.00 0.00 177.00 176.42 2wh8 h PRO 95 N 1.75 0.00 -0.81 5.54 0.13 -2.02 -3.45 132.00 133.15 2wh8 h PRO 95 Ca -0.51 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2wh8 h PRO 95 Cb 1.29 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 2wh8 h PRO 95 CO 0.59 0.13 0.54 0.28 -0.23 0.00 0.00 178.00 179.31 2wh8 h VAL 96 N 0.00 1.20 -0.08 1.56 2.07 -1.81 -1.61 116.25 117.59 2wh8 h VAL 96 Ca -0.00 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2wh8 h VAL 96 Cb 1.10 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2wh8 h VAL 96 CO 0.02 0.20 -0.04 -0.74 0.02 0.00 0.00 177.57 177.03 2wh8 h HIS 97 N 1.10 0.11 0.14 1.57 -0.00 -1.47 -3.31 115.15 113.29 2wh8 h HIS 97 Ca 0.30 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.66 2wh8 h HIS 97 Cb -0.12 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 2wh8 h HIS 97 CO -0.02 0.16 -0.07 1.15 -0.00 0.00 0.00 177.93 179.15 2wh8 h THR 98 N 0.11 0.87 -0.33 6.26 2.02 -1.55 -0.52 112.91 119.78 2wh8 h THR 98 Ca 0.03 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 2wh8 h THR 98 Cb 0.15 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2wh8 h THR 98 CO 0.01 0.01 -0.01 -0.08 0.37 0.00 0.00 175.52 175.82 2wh8 h GLU 99 N -0.22 0.59 -0.37 6.66 4.57 -1.65 -1.68 114.58 122.49 2wh8 h GLU 99 Ca -0.02 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2wh8 h GLU 99 Cb 0.17 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 2wh8 h GLU 99 CO 0.03 0.73 0.22 0.35 -1.18 0.00 0.00 179.01 179.15 2wh8 h PHE 100 N 0.39 0.49 -0.92 0.92 3.57 -1.66 -1.82 116.94 117.91 2wh8 h PHE 100 Ca 0.09 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.60 2wh8 h PHE 100 Cb 0.47 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 2wh8 h PHE 100 CO 0.04 0.36 0.61 -0.09 -2.23 0.00 0.00 178.31 177.00 2wh8 h ARG 101 N 0.48 1.19 -0.74 1.11 2.43 -1.00 -1.61 114.38 116.24 2wh8 h ARG 101 Ca 0.13 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2wh8 h ARG 101 Cb 0.02 -0.27 -0.06 0.00 -0.42 0.00 0.00 29.97 29.25 2wh8 h ARG 101 CO -0.02 0.79 0.43 -0.22 -1.51 0.00 0.00 179.97 179.44 2wh8 h LYS 102 N 1.22 0.77 -0.19 0.20 3.64 -0.52 -0.09 116.57 121.61 2wh8 h LYS 102 Ca 0.34 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.59 2wh8 h LYS 102 Cb -0.11 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.53 2wh8 h LYS 102 CO -0.08 0.51 -0.23 -0.07 -2.27 0.00 0.00 179.45 177.31 2wh8 h LEU 103 N 0.79 0.52 -0.32 5.20 3.38 -0.69 -3.18 115.31 121.02 2wh8 h LEU 103 Ca 0.33 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 2wh8 h LEU 103 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2wh8 h LEU 103 CO -0.18 0.92 -0.30 -0.37 0.09 0.00 0.00 178.44 178.60 2wh8 h VAL 104 N 0.14 0.57 0.00 1.22 -1.51 -1.02 -3.10 116.25 112.54 2wh8 h VAL 104 Ca 0.02 -1.62 0.00 0.00 -1.23 0.00 0.00 66.70 63.87 2wh8 h VAL 104 Cb 0.79 2.14 0.00 0.00 -2.13 0.00 0.00 31.29 32.09 2wh8 h VAL 104 CO 0.05 0.30 0.00 0.77 -1.23 0.00 0.00 177.57 177.46 2wh8 h SER 105 N 0.00 0.00 -0.06 4.19 4.64 -0.99 -0.11 113.55 121.22 2wh8 h SER 105 Ca -0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2wh8 h SER 105 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2wh8 h SER 105 CO 0.04 0.00 0.09 0.03 -0.87 0.00 0.00 176.83 176.12 2wh8 h ARG 106 N 0.00 0.00 -0.08 4.77 3.08 -1.63 -0.20 114.38 120.32 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 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2wh8 h ARG 106 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2wh8 n GLY 107 N -1.31 0.11 2.82 0.04 0.00 -0.05 -4.52 105.19 102.28 2wh8 n GLY 107 Ca -0.01 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.30 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 0.22 2.83 -4.48 1.61 3.72 -0.09 -4.49 117.46 116.79 2wh8 n PHE 108 Ca 0.18 -4.20 -0.23 0.00 -0.05 0.00 0.00 57.45 53.15 2wh8 n PHE 108 Cb 0.34 -0.53 -0.11 0.00 -0.94 0.00 0.00 39.48 38.24 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 -1.37 1.56 0.34 4.37 -4.23 -1.26 -5.00 115.64 110.04 2wh8 s THR 109 Ca 0.27 -2.05 0.10 0.00 -1.18 0.00 0.00 61.69 58.83 2wh8 s THR 109 Cb -0.02 -2.71 0.33 0.00 1.34 0.00 0.00 72.50 71.44 2wh8 s THR 109 CO -0.17 -0.11 1.78 -0.65 -0.54 0.00 0.00 174.62 174.93 2wh8 h PRO 110 N 2.10 0.61 -0.99 3.99 0.11 -1.99 0.11 132.00 135.93 2wh8 h PRO 110 Ca -0.41 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.71 2wh8 h PRO 110 Cb 1.24 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 2wh8 h PRO 110 CO 0.71 0.40 0.65 -0.09 -0.21 0.00 0.00 178.00 179.46 2wh8 h ARG 111 N 0.63 1.19 -0.40 1.05 2.43 -1.99 -1.20 114.38 116.08 2wh8 h ARG 111 Ca 0.57 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.60 2wh8 h ARG 111 Cb 1.08 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2wh8 h ARG 111 CO -0.35 0.78 -0.05 1.96 -1.51 0.00 0.00 179.97 180.81 2wh8 h GLN 112 N 1.22 0.67 -0.29 0.20 7.50 -1.30 -1.16 115.11 121.95 2wh8 h GLN 112 Ca 0.41 -0.19 -0.16 0.00 0.50 0.00 0.00 58.65 59.22 2wh8 h GLN 112 Cb 0.07 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.51 2wh8 h GLN 112 CO -0.14 0.73 -0.44 -0.39 -1.50 0.00 0.00 178.83 177.08 2wh8 h VAL 113 N 0.63 1.29 -0.53 -0.54 -1.51 -1.39 -3.29 116.25 110.90 2wh8 h VAL 113 Ca 0.12 -1.63 -0.12 0.00 -1.23 0.00 0.00 66.70 63.84 2wh8 h VAL 113 Cb 0.47 1.54 -0.02 0.00 -2.13 0.00 0.00 31.29 31.15 2wh8 h VAL 113 CO 0.02 0.53 -0.14 -0.33 -1.23 0.00 0.00 177.57 176.42 2wh8 h GLU 114 N 0.60 1.03 0.00 5.19 5.08 -0.71 -2.80 114.58 122.96 2wh8 h GLU 114 Ca 0.04 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 57.94 2wh8 h GLU 114 Cb 1.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2wh8 h GLU 114 CO 0.10 1.09 -0.29 1.79 -1.00 0.00 0.00 179.01 180.69 2wh8 h THR 115 N 0.91 0.84 0.00 1.13 1.35 -1.30 -2.98 112.91 112.85 2wh8 h THR 115 Ca 0.13 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2wh8 h THR 115 Cb 0.71 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 2wh8 h THR 115 CO 0.05 0.28 -1.12 0.55 -0.25 0.00 0.00 175.52 175.04 2wh8 n VAL 116 N -3.66 0.06 -0.23 6.82 3.14 -1.19 -4.55 118.33 118.71 2wh8 n VAL 116 Ca -0.01 -0.16 -0.01 0.00 -2.96 0.00 0.00 64.34 61.20 2wh8 n VAL 116 Cb 0.41 0.51 0.11 0.00 -1.06 0.00 0.00 33.84 33.80 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 0.62 -0.70 1.45 4.81 -1.33 -0.61 114.58 118.81 2wh8 h GLU 117 Ca 0.00 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2wh8 h GLU 117 Cb 0.66 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 2wh8 h GLU 117 CO 0.00 0.41 0.46 -1.35 -0.73 0.00 0.00 179.01 177.80 2wh8 h PRO 118 N 0.64 0.82 -0.36 0.92 0.11 -1.80 -1.02 132.00 131.30 2wh8 h PRO 118 Ca 0.31 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.23 2wh8 h PRO 118 Cb 0.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 2wh8 h PRO 118 CO -0.21 0.54 -0.33 1.15 -0.21 0.00 0.00 178.00 178.94 2wh8 h THR 119 N 0.84 1.28 -0.60 -1.15 2.02 -1.43 -1.92 112.91 111.95 2wh8 h THR 119 Ca 0.28 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 65.96 2wh8 h THR 119 Cb 0.06 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2wh8 h THR 119 CO -0.08 0.49 0.31 0.58 0.37 0.00 0.00 175.52 177.20 2wh8 h VAL 120 N 0.68 1.20 -0.38 3.16 2.07 -0.60 -2.52 116.25 119.86 2wh8 h VAL 120 Ca 0.07 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 2wh8 h VAL 120 Cb 0.88 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2wh8 h VAL 120 CO 0.08 0.22 0.09 -0.09 0.02 0.00 0.00 177.57 177.89 2wh8 h ARG 121 N 0.81 0.61 -0.91 1.57 2.43 -1.04 -1.73 114.38 116.12 2wh8 h ARG 121 Ca 0.21 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2wh8 h ARG 121 Cb 0.07 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 2wh8 h ARG 121 CO -0.03 0.65 0.60 -0.22 -1.51 0.00 0.00 179.97 179.46 2wh8 h LYS 122 N 0.46 1.14 -0.10 0.20 3.64 -1.22 -1.90 116.57 118.79 2wh8 h LYS 122 Ca 0.12 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2wh8 h LYS 122 Cb 0.32 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2wh8 h LYS 122 CO 0.00 0.75 -0.00 0.35 -2.27 0.00 0.00 179.45 178.29 2wh8 h PHE 123 N 1.18 0.20 -0.22 1.91 3.57 -1.21 -1.72 116.94 120.64 2wh8 h PHE 123 Ca 0.36 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.88 2wh8 h PHE 123 Cb -0.04 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 2wh8 h PHE 123 CO -0.01 0.43 -0.26 0.28 -2.23 0.00 0.00 178.31 176.52 2wh8 h VAL 124 N -0.09 0.36 -0.26 1.41 2.07 -1.12 -1.71 116.25 116.91 2wh8 h VAL 124 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 2wh8 h VAL 124 Cb 0.35 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.41 2wh8 h VAL 124 CO 0.01 0.00 -0.20 0.58 0.02 0.00 0.00 177.57 177.98 2wh8 h VAL 125 N -0.29 0.47 -0.90 2.57 2.07 -1.35 0.28 116.25 119.10 2wh8 h VAL 125 Ca 0.13 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.72 2wh8 h VAL 125 Cb 0.48 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 2wh8 h VAL 125 CO -0.38 0.00 0.58 -0.33 0.02 0.00 0.00 177.57 177.46 2wh8 h GLU 126 N -0.19 0.94 0.19 1.57 5.08 -1.01 0.17 114.58 121.33 2wh8 h GLU 126 Ca 0.14 -0.06 -0.33 0.00 -1.00 0.00 0.00 59.36 58.12 2wh8 h GLU 126 Cb 0.40 -0.21 0.02 0.00 0.50 0.00 0.00 28.75 29.46 2wh8 h GLU 126 CO -0.37 0.62 -1.56 0.00 -1.00 0.00 0.00 179.01 176.70 2wh8 h ARG 127 N 0.97 0.40 -0.24 2.33 2.47 -0.65 -2.16 114.38 117.49 2wh8 h ARG 127 Ca 0.40 -0.68 -0.03 0.00 -1.26 0.00 0.00 59.98 58.40 2wh8 h ARG 127 Cb 0.28 0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 2wh8 h ARG 127 CO -0.16 1.31 0.00 -0.07 0.56 0.00 0.00 179.97 181.61 2wh8 h LEU 128 N 0.11 0.33 -0.39 3.04 3.38 -0.22 -0.16 115.31 121.40 2wh8 h LEU 128 Ca -0.27 -0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.47 2wh8 h LEU 128 Cb 2.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 2wh8 h LEU 128 CO 0.21 0.39 -0.80 -0.33 0.09 0.00 0.00 178.44 178.01 2wh8 h GLU 129 N 0.35 0.20 -0.24 1.13 4.39 -0.67 0.49 114.58 120.25 2wh8 h GLU 129 Ca 0.08 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 2wh8 h GLU 129 Cb 0.24 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2wh8 h GLU 129 CO 0.01 0.90 -0.05 0.87 -1.16 0.00 0.00 179.01 179.57 2wh8 h LYS 130 N 0.12 0.45 0.13 2.33 6.56 -1.11 -1.59 116.57 123.47 2wh8 h LYS 130 Ca -0.03 -0.17 0.02 0.00 -1.06 0.00 0.00 60.65 59.41 2wh8 h LYS 130 Cb 1.39 -0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 32.98 2wh8 h LYS 130 CO 0.12 0.68 -0.37 -0.07 -2.06 0.00 0.00 179.45 177.75 2wh8 h LEU 131 N 0.19 -1.06 -0.54 2.94 3.38 -0.91 -2.69 115.31 116.61 2wh8 h LEU 131 Ca 0.06 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.26 2wh8 h LEU 131 Cb 0.51 0.40 -0.11 0.00 0.09 0.00 0.00 40.66 41.55 2wh8 h LEU 131 CO 0.02 -0.45 -0.17 0.03 0.09 0.00 0.00 178.44 177.97 2wh8 h ARG 132 N -0.60 -0.03 -0.52 1.13 3.08 -0.85 0.12 114.38 116.70 2wh8 h ARG 132 Ca 0.03 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.15 2wh8 h ARG 132 Cb 0.63 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 2wh8 h ARG 132 CO -0.21 -0.02 0.35 0.00 -1.07 0.00 0.00 179.97 179.02 2wh8 h ALA 133 N 1.46 1.97 -0.19 0.04 0.00 -1.12 -0.91 119.26 120.52 2wh8 h ALA 133 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2wh8 h ALA 133 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wh8 h ALA 133 CO -0.58 -0.08 0.00 0.09 0.00 0.00 0.00 179.25 178.68 2wh8 n ASN 134 N -4.47 2.16 -1.68 0.00 3.02 -0.16 -4.92 115.26 109.22 2wh8 n ASN 134 Ca 0.08 -1.77 -0.19 0.00 -0.03 0.00 0.00 54.58 52.66 2wh8 n ASN 134 Cb 0.30 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.29 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 1.24 1.12 0.00 7.41 0.00 -0.35 -4.84 105.19 109.77 2wh8 n GLY 135 Ca 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.77 0.85 0.00 -0.02 0.00 -0.15 -3.18 105.19 101.91 2wh8 n GLY 136 Ca -0.20 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.90 3.55 -0.02 0.00 -0.03 -4.68 105.19 103.11 2wh8 n GLY 137 Ca 0.00 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.48 6.45 0.52 1.61 -1.08 -1.26 -0.41 116.67 119.02 2wh8 s ASP 138 Ca 0.00 -0.02 0.31 0.00 -0.52 0.00 0.00 52.55 52.32 2wh8 s ASP 138 Cb 0.00 -2.43 1.31 0.00 -1.46 0.00 0.00 42.92 40.34 2wh8 s ASP 138 CO 0.00 -1.06 1.97 -0.29 0.52 0.00 0.00 175.17 176.32 2wh8 h ILE 139 N 6.05 0.22 0.25 4.11 2.10 -1.67 -0.36 117.51 128.21 2wh8 h ILE 139 Ca -0.25 -0.66 -0.01 0.00 1.08 0.00 0.00 64.86 65.02 2wh8 h ILE 139 Cb 1.08 1.54 0.00 0.00 -1.09 0.00 0.00 36.82 38.34 2wh8 h ILE 139 CO 1.02 0.08 -0.12 0.58 -1.08 0.00 0.00 178.15 178.63 2wh8 h VAL 140 N 0.00 0.51 -0.50 2.19 2.07 -1.90 -0.99 116.25 117.63 2wh8 h VAL 140 Ca -0.00 -0.92 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 2wh8 h VAL 140 Cb 0.53 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2wh8 h VAL 140 CO 0.01 0.13 0.01 0.71 0.02 0.00 0.00 177.57 178.45 2wh8 h THR 141 N -0.97 1.24 0.00 2.57 1.35 -1.76 0.14 112.91 115.49 2wh8 h THR 141 Ca -0.03 -1.01 -0.12 0.00 -0.55 0.00 0.00 66.41 64.70 2wh8 h THR 141 Cb 0.47 0.85 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 2wh8 h THR 141 CO 0.06 0.36 -0.55 -0.33 -0.25 0.00 0.00 175.52 174.81 2wh8 h GLU 142 N 0.77 0.00 0.00 4.72 4.39 -1.17 -3.41 114.58 119.88 2wh8 h GLU 142 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2wh8 h GLU 142 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2wh8 h GLU 142 CO 0.02 0.55 0.00 -0.11 -1.16 0.00 0.00 179.01 178.31 2wh8 n LEU 143 N -3.38 -0.27 0.19 1.33 7.94 -0.64 -4.85 117.00 117.32 2wh8 n LEU 143 Ca 0.01 0.29 0.08 0.00 -1.11 0.00 0.00 56.01 55.27 2wh8 n LEU 143 Cb 0.69 0.40 0.28 0.00 0.53 0.00 0.00 43.42 45.32 2wh8 n LEU 143 CO 0.40 -0.61 0.69 -0.26 -1.11 0.00 0.00 177.39 176.50 2wh8 h PHE 144 N 0.00 0.00 0.38 1.96 0.04 -0.62 -1.91 116.94 116.79 2wh8 h PHE 144 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2wh8 h PHE 144 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2wh8 h PHE 144 CO 0.00 0.29 -0.18 -0.22 -0.60 0.00 0.00 178.31 177.60 2wh8 h LYS 145 N 0.00 -0.49 -0.03 1.51 3.64 -1.00 -3.38 116.57 116.83 2wh8 h LYS 145 Ca -0.00 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2wh8 h LYS 145 Cb 0.99 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2wh8 h LYS 145 CO 0.04 -0.32 -0.36 -1.00 -2.27 0.00 0.00 179.45 175.54 2wh8 h PRO 146 N -1.13 0.06 -0.10 1.90 0.13 -1.76 -3.35 132.00 127.75 2wh8 h PRO 146 Ca -0.05 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2wh8 h PRO 146 Cb 0.41 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.49 2wh8 h PRO 146 CO 0.09 0.41 -0.15 1.25 -0.23 0.00 0.00 178.00 179.37 2wh8 h LEU 147 N 0.05 -0.45 -1.87 1.56 5.85 -1.53 -2.81 115.31 116.12 2wh8 h LEU 147 Ca 0.00 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2wh8 h LEU 147 Cb 0.66 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 2wh8 h LEU 147 CO 0.05 -0.19 -0.13 -0.65 -0.34 0.00 0.00 178.44 177.17 2wh8 h PRO 148 N -0.19 0.00 -0.71 5.25 0.10 -1.77 -2.58 132.00 132.09 2wh8 h PRO 148 Ca 0.08 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 66.15 2wh8 h PRO 148 Cb 0.31 0.00 -0.03 0.00 0.10 0.00 0.00 31.00 31.38 2wh8 h PRO 148 CO -0.21 0.13 0.31 1.03 0.10 0.00 0.00 178.00 179.36 2wh8 h SER 149 N 0.00 0.95 -0.85 -2.05 0.87 -1.71 -1.40 113.55 109.35 2wh8 h SER 149 Ca -0.00 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 2wh8 h SER 149 Cb 0.33 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 2wh8 h SER 149 CO 0.02 0.83 0.44 0.24 -0.53 0.00 0.00 176.83 177.82 2wh8 h MET 150 N 1.02 1.21 -0.31 2.24 2.86 -1.55 -0.05 114.93 120.35 2wh8 h MET 150 Ca 0.24 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2wh8 h MET 150 Cb 0.16 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2wh8 h MET 150 CO -0.03 0.91 -0.01 0.28 1.06 0.00 0.00 176.91 179.13 2wh8 h VAL 151 N 1.20 1.26 -0.44 -2.22 2.07 -1.43 -1.79 116.25 114.90 2wh8 h VAL 151 Ca 0.30 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.90 2wh8 h VAL 151 Cb 0.08 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 2wh8 h VAL 151 CO -0.04 0.31 0.17 0.58 0.02 0.00 0.00 177.57 178.61 2wh8 h VAL 152 N 0.35 0.88 -0.43 2.57 2.07 -1.18 -1.41 116.25 119.10 2wh8 h VAL 152 Ca 0.09 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2wh8 h VAL 152 Cb 0.46 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2wh8 h VAL 152 CO 0.02 0.06 0.17 0.00 0.02 0.00 0.00 177.57 177.85 2wh8 h ALA 153 N 1.28 0.52 -0.51 1.67 0.00 -0.85 -0.94 119.26 120.43 2wh8 h ALA 153 Ca 0.20 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.24 2wh8 h ALA 153 Cb 0.18 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 2wh8 h ALA 153 CO -0.20 -0.21 0.09 1.25 0.00 0.00 0.00 179.25 180.19 2wh8 h HIS 154 N 0.36 0.15 0.00 0.00 6.17 -1.04 -1.52 115.15 119.26 2wh8 h HIS 154 Ca 0.20 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.30 2wh8 h HIS 154 Cb 0.16 0.01 -0.00 0.00 2.52 0.00 0.00 27.41 30.10 2wh8 h HIS 154 CO -0.13 -0.02 -0.06 1.88 0.71 0.00 0.00 177.93 180.31 2wh8 h TYR 155 N 0.23 0.00 -0.02 5.26 -1.99 -0.26 -1.69 116.97 118.50 2wh8 h TYR 155 Ca 0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.99 2wh8 h TYR 155 Cb 0.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.09 2wh8 h TYR 155 CO -0.24 0.06 0.00 1.28 -0.00 0.00 0.00 178.16 179.26 2wh8 n LEU 156 N -3.19 1.53 -0.89 3.88 4.77 -0.45 -3.07 117.00 119.58 2wh8 n LEU 156 Ca 0.00 -0.51 -0.10 0.00 -0.03 0.00 0.00 56.01 55.37 2wh8 n LEU 156 Cb 0.32 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2wh8 n LEU 156 CO 0.28 0.26 -0.11 0.61 -1.33 0.00 0.00 177.39 177.10 2wh8 n GLY 157 N 1.18 0.85 3.69 -0.72 0.00 -0.63 -4.61 105.19 104.94 2wh8 n GLY 157 Ca 0.19 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.42 4.79 0.24 1.61 1.01 -0.62 -4.98 120.40 120.03 2wh8 s VAL 158 Ca 0.00 2.03 -0.31 0.00 0.00 0.00 0.00 61.98 63.70 2wh8 s VAL 158 Cb 0.00 -4.31 -0.13 0.00 0.00 0.00 0.00 36.38 31.94 2wh8 s VAL 158 CO 0.00 0.01 1.44 -2.65 0.00 0.00 0.00 175.10 173.90 2wh8 n PRO 159 N 4.98 2.13 -0.23 2.72 -0.02 -1.26 -4.59 135.00 138.73 2wh8 n PRO 159 Ca 0.08 0.76 0.32 0.00 -2.02 0.00 0.00 63.50 62.64 2wh8 n PRO 159 Cb 0.49 -2.44 0.72 0.00 -0.02 0.00 0.00 33.50 32.25 2wh8 n PRO 159 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wh8 h GLU 160 N 4.35 0.00 0.00 -0.52 5.08 -1.97 0.20 114.58 121.73 2wh8 h GLU 160 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2wh8 h GLU 160 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2wh8 h GLU 160 CO 0.77 0.00 0.00 1.05 -1.00 0.00 0.00 179.01 179.83 2wh8 h GLU 161 N 0.00 0.00 -0.30 2.33 4.11 -2.04 -2.73 114.58 115.95 2wh8 h GLU 161 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 2wh8 h GLU 161 Cb 2.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.37 2wh8 h GLU 161 CO -0.01 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.82 2wh8 n ASP 162 N -2.81 3.37 0.05 3.06 8.00 0.72 -4.54 116.55 124.40 2wh8 n ASP 162 Ca 0.01 -2.00 -0.03 0.00 0.71 0.00 0.00 54.79 53.49 2wh8 n ASP 162 Cb 0.28 -0.19 0.21 0.00 -0.02 0.00 0.00 41.12 41.40 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 4.54 0.44 -0.24 1.24 4.06 -1.52 -0.88 115.95 123.61 2wh8 h TRP 163 Ca 0.00 -0.10 -0.04 0.00 2.06 0.00 0.00 58.89 60.81 2wh8 h TRP 163 Cb 0.99 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 29.04 2wh8 h TRP 163 CO 0.19 0.67 -0.00 1.15 -3.56 0.00 0.00 178.44 176.89 2wh8 h THR 164 N 0.33 1.26 -0.28 1.49 2.02 -1.80 0.78 112.91 116.71 2wh8 h THR 164 Ca 0.04 -0.90 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 2wh8 h THR 164 Cb 0.74 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2wh8 h THR 164 CO 0.06 0.28 0.03 -0.61 0.37 0.00 0.00 175.52 175.65 2wh8 h GLN 165 N 0.19 0.48 -0.69 6.66 4.15 -1.84 -1.63 115.11 122.43 2wh8 h GLN 165 Ca 0.07 -0.14 0.06 0.00 0.77 0.00 0.00 58.65 59.41 2wh8 h GLN 165 Cb 0.41 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.00 2wh8 h GLN 165 CO 0.01 0.61 0.38 0.35 -1.93 0.00 0.00 178.83 178.25 2wh8 h PHE 166 N 0.28 0.70 -1.00 3.99 3.57 -1.11 -1.88 116.94 121.48 2wh8 h PHE 166 Ca 0.08 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.63 2wh8 h PHE 166 Cb 0.37 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 2wh8 h PHE 166 CO 0.03 0.33 0.66 0.22 -2.23 0.00 0.00 178.31 177.31 2wh8 h ASP 167 N 0.69 1.12 -0.02 0.41 3.58 -0.62 -0.29 116.42 121.30 2wh8 h ASP 167 Ca 0.31 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.76 2wh8 h ASP 167 Cb 0.21 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 2wh8 h ASP 167 CO -0.19 0.79 -0.11 1.23 -2.88 0.00 0.00 179.24 178.08 2wh8 h GLY 168 N 1.31 -0.11 1.05 -0.78 0.00 -0.60 -0.94 103.07 103.00 2wh8 h GLY 168 Ca 0.38 0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.81 2wh8 h GLY 168 CO -0.10 -0.11 0.41 1.49 0.00 0.00 0.00 176.54 178.22 2wh8 h TRP 169 N -0.18 1.22 -0.09 5.60 6.55 -0.98 -2.99 115.95 125.08 2wh8 h TRP 169 Ca 0.05 -0.06 0.02 0.00 0.95 0.00 0.00 58.89 59.85 2wh8 h TRP 169 Cb 0.24 -0.38 -0.02 0.00 -0.86 0.00 0.00 29.16 28.14 2wh8 h TRP 169 CO -0.18 0.88 -0.03 1.15 -1.05 0.00 0.00 178.44 179.21 2wh8 h THR 170 N 1.21 0.89 -0.92 1.49 2.02 -0.67 -1.76 112.91 115.17 2wh8 h THR 170 Ca 0.29 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.47 2wh8 h THR 170 Cb 0.11 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 2wh8 h THR 170 CO -0.04 0.00 0.57 1.56 0.37 0.00 0.00 175.52 177.98 2wh8 h GLN 171 N -0.02 1.24 -0.53 6.66 1.08 -1.08 0.26 115.11 122.73 2wh8 h GLN 171 Ca 0.05 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2wh8 h GLN 171 Cb 0.09 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.23 2wh8 h GLN 171 CO -0.10 0.85 0.30 0.00 -0.95 0.00 0.00 178.83 178.92 2wh8 h ALA 172 N 1.31 0.67 -0.38 3.87 0.00 -1.35 -1.88 119.26 121.50 2wh8 h ALA 172 Ca 0.33 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2wh8 h ALA 172 Cb -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2wh8 h ALA 172 CO -0.07 0.18 0.04 0.82 0.00 0.00 0.00 179.25 180.23 2wh8 h ILE 173 N 0.70 1.25 -0.48 0.00 2.04 -0.73 -1.58 117.51 118.71 2wh8 h ILE 173 Ca 0.19 -0.91 -0.07 0.00 1.00 0.00 0.00 64.86 65.07 2wh8 h ILE 173 Cb 0.03 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 2wh8 h ILE 173 CO -0.03 0.31 0.04 0.58 0.00 0.00 0.00 178.15 179.05 2wh8 h VAL 174 N 0.48 1.26 0.16 1.67 2.07 -0.87 -0.47 116.25 120.54 2wh8 h VAL 174 Ca 0.11 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2wh8 h VAL 174 Cb 0.40 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2wh8 h VAL 174 CO 0.01 0.35 -0.16 0.00 0.02 0.00 0.00 177.57 177.79 2wh8 h ALA 175 N 0.94 -0.31 -0.82 1.67 0.00 -1.32 -2.85 119.26 116.57 2wh8 h ALA 175 Ca 0.14 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.13 2wh8 h ALA 175 Cb 0.45 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 2wh8 h ALA 175 CO 0.02 -0.70 0.43 0.00 0.00 0.00 0.00 179.25 179.00 2wh8 h ALA 176 N 0.46 1.21 0.00 0.00 0.00 -0.92 -1.02 119.26 118.98 2wh8 h ALA 176 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wh8 h ALA 176 Cb 0.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wh8 h ALA 176 CO -0.04 -0.03 0.00 0.27 0.00 0.00 0.00 179.25 179.45 2wh8 n ASN 177 N -4.83 0.00 -0.23 0.00 2.04 -0.22 -5.01 115.26 107.00 2wh8 n ASN 177 Ca 0.15 0.33 0.24 0.00 -0.44 0.00 0.00 54.58 54.86 2wh8 n ASN 177 Cb 0.37 -0.43 0.60 0.00 -2.53 0.00 0.00 39.78 37.80 2wh8 n ASN 177 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2wh8 h ALA 178 N 2.72 2.50 0.00 -2.53 0.00 -0.95 -3.50 119.26 117.50 2wh8 h ALA 178 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wh8 h ALA 178 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2wh8 h ALA 178 CO 0.00 -0.79 0.00 0.41 0.00 0.00 0.00 179.25 178.87 2wh8 n GLY 185 N -1.60 2.92 2.79 0.00 0.00 -1.26 -3.63 105.19 104.42 2wh8 n GLY 185 Ca 0.20 -0.39 -0.02 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 2.75 -0.10 4.61 0.00 -1.26 -4.79 120.51 121.72 2wh8 n ALA 186 Ca 0.00 -2.69 -0.06 0.00 0.00 0.00 0.00 53.44 50.69 2wh8 n ALA 186 Cb 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 18.57 2wh8 n ALA 186 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wh8 h LEU 187 N 2.58 -0.18 -0.51 0.00 4.07 -1.99 0.17 115.31 119.45 2wh8 h LEU 187 Ca -0.15 0.09 -0.00 0.00 0.08 0.00 0.00 57.88 57.89 2wh8 h LEU 187 Cb 1.25 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 43.13 2wh8 h LEU 187 CO 0.22 -0.05 0.32 0.44 -1.08 0.00 0.00 178.44 178.28 2wh8 h ASP 188 N 0.08 0.61 0.17 -0.43 3.32 -1.99 -0.89 116.42 117.29 2wh8 h ASP 188 Ca 0.17 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 2wh8 h ASP 188 Cb 0.24 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2wh8 h ASP 188 CO -0.30 0.48 -0.52 0.00 -1.72 0.00 0.00 179.24 177.19 2wh8 h ALA 189 N 1.16 0.85 -0.19 3.45 0.00 -1.51 1.00 119.26 124.01 2wh8 h ALA 189 Ca 0.19 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2wh8 h ALA 189 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2wh8 h ALA 189 CO -0.04 0.68 0.10 0.28 0.00 0.00 0.00 179.25 180.27 2wh8 h VAL 190 N 0.30 1.11 -0.25 0.00 2.07 -0.62 -0.90 116.25 117.97 2wh8 h VAL 190 Ca 0.01 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2wh8 h VAL 190 Cb 1.01 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2wh8 h VAL 190 CO 0.09 0.11 0.15 1.23 0.02 0.00 0.00 177.57 179.17 2wh8 h GLY 191 N 0.20 0.36 0.54 2.17 0.00 -0.69 0.36 103.07 106.02 2wh8 h GLY 191 Ca 0.07 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.30 2wh8 h GLY 191 CO -0.01 0.15 0.04 1.76 0.00 0.00 0.00 176.54 178.48 2wh8 h SER 192 N 0.31 -0.05 -0.39 0.19 0.02 -0.66 -0.21 113.55 112.76 2wh8 h SER 192 Ca 0.09 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2wh8 h SER 192 Cb 0.02 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2wh8 h SER 192 CO -0.02 0.01 0.06 -0.03 -1.14 0.00 0.00 176.83 175.72 2wh8 h MET 193 N 0.15 0.65 -0.63 3.45 4.05 -0.83 -0.21 114.93 121.55 2wh8 h MET 193 Ca 0.16 -0.17 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 2wh8 h MET 193 Cb 0.20 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.90 2wh8 h MET 193 CO -0.24 0.70 0.24 0.52 0.23 0.00 0.00 176.91 178.36 2wh8 h MET 194 N 0.50 0.93 -0.30 0.39 2.86 -0.74 0.60 114.93 119.16 2wh8 h MET 194 Ca 0.12 -0.16 -0.17 0.00 -2.06 0.00 0.00 59.70 57.43 2wh8 h MET 194 Cb 0.37 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 2wh8 h MET 194 CO 0.01 0.77 -0.50 0.00 1.06 0.00 0.00 176.91 178.25 2wh8 h ALA 195 N 1.35 0.54 0.06 6.32 0.00 -0.80 -1.25 119.26 125.48 2wh8 h ALA 195 Ca 0.21 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2wh8 h ALA 195 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wh8 h ALA 195 CO -0.02 0.68 -0.03 -0.92 0.00 0.00 0.00 179.25 178.96 2wh8 h TYR 196 N 0.66 -0.08 -0.56 0.00 3.20 -0.71 -2.66 116.97 116.82 2wh8 h TYR 196 Ca 0.03 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 2wh8 h TYR 196 Cb 1.09 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.36 2wh8 h TYR 196 CO 0.07 0.26 0.17 0.74 -1.64 0.00 0.00 178.16 177.75 2wh8 h PHE 197 N -0.42 0.85 -0.77 -3.82 0.04 -0.90 -0.54 116.94 111.38 2wh8 h PHE 197 Ca -0.01 -0.07 0.08 0.00 2.80 0.00 0.00 57.97 60.78 2wh8 h PHE 197 Cb 0.37 -0.25 -0.07 0.00 2.20 0.00 0.00 35.95 38.20 2wh8 h PHE 197 CO 0.04 0.69 0.43 1.15 -0.60 0.00 0.00 178.31 180.02 2wh8 h THR 198 N 0.81 0.93 -0.40 -1.55 2.02 -1.17 0.22 112.91 113.76 2wh8 h THR 198 Ca 0.18 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 2wh8 h THR 198 Cb 0.25 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 2wh8 h THR 198 CO -0.01 0.14 0.05 1.23 0.37 0.00 0.00 175.52 177.30 2wh8 h GLY 199 N 0.75 0.73 1.12 2.16 0.00 -1.06 -2.73 103.07 104.04 2wh8 h GLY 199 Ca 0.36 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 2wh8 h GLY 199 CO -0.23 0.46 0.30 -2.00 0.00 0.00 0.00 176.54 175.07 2wh8 h LEU 200 N 0.53 1.03 -0.53 3.11 5.85 -0.46 -1.36 115.31 123.48 2wh8 h LEU 200 Ca 0.12 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2wh8 h LEU 200 Cb 0.39 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2wh8 h LEU 200 CO 0.01 0.92 0.35 0.40 -0.34 0.00 0.00 178.44 179.78 2wh8 h ILE 201 N 1.09 1.14 -0.56 4.05 2.04 -0.55 -0.83 117.51 123.90 2wh8 h ILE 201 Ca 0.25 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2wh8 h ILE 201 Cb 0.21 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2wh8 h ILE 201 CO -0.02 0.14 0.26 -0.08 0.00 0.00 0.00 178.15 178.44 2wh8 h GLU 202 N 0.72 0.81 -0.87 2.37 4.57 -1.17 -2.83 114.58 118.18 2wh8 h GLU 202 Ca 0.19 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 2wh8 h GLU 202 Cb -0.08 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.33 2wh8 h GLU 202 CO -0.04 0.67 0.46 -0.09 -1.18 0.00 0.00 179.01 178.83 2wh8 h ARG 203 N 0.75 1.22 0.00 1.92 2.43 -0.73 -2.58 114.38 117.39 2wh8 h ARG 203 Ca 0.19 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2wh8 h ARG 203 Cb 0.14 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2wh8 h ARG 203 CO -0.02 0.90 0.00 0.54 -1.51 0.00 0.00 179.97 179.88 2wh8 n ARG 204 N -4.33 0.04 0.21 0.20 5.12 -0.37 -1.64 116.66 115.90 2wh8 n ARG 204 Ca 0.09 0.42 0.08 0.00 -1.93 0.00 0.00 57.85 56.51 2wh8 n ARG 204 Cb 0.11 -1.60 0.38 0.00 -1.16 0.00 0.00 32.46 30.19 2wh8 n ARG 204 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wh8 h ARG 205 N 0.00 0.00 0.00 5.56 3.08 -1.42 -3.27 114.38 118.33 2wh8 h ARG 205 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wh8 h ARG 205 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2wh8 h ARG 205 CO 0.00 0.28 -0.88 0.25 -1.07 0.00 0.00 179.97 178.56 2wh8 n THR 206 N -3.40 0.00 -3.45 2.04 -2.24 -0.84 -4.86 114.28 101.54 2wh8 n THR 206 Ca 0.00 -0.22 -0.26 0.00 -2.27 0.00 0.00 64.05 61.30 2wh8 n THR 206 Cb 0.48 0.61 -0.09 0.00 -2.10 0.00 0.00 70.33 69.23 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 -1.48 0.87 -1.51 -0.78 1.02 -0.65 -5.11 120.64 113.00 2wh8 n GLU 207 Ca -0.00 -3.60 -0.33 0.00 -0.02 0.00 0.00 57.16 53.21 2wh8 n GLU 207 Cb 0.13 -1.74 0.08 0.00 -0.02 0.00 0.00 31.44 29.88 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 -0.79 2.35 0.00 3.49 0.04 -1.23 -4.44 135.00 134.42 2wh8 s PRO 208 Ca 0.33 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2wh8 s PRO 208 Cb 0.07 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2wh8 s PRO 208 CO -0.15 -1.63 0.00 0.00 0.04 0.00 0.00 177.00 175.26 2wh8 n ALA 209 N -2.74 0.00 0.74 8.56 0.00 -1.26 -5.05 120.51 120.75 2wh8 n ALA 209 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.68 2wh8 n ALA 209 Cb 0.51 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.90 3.16 -4.65 0.00 8.00 -1.26 -4.65 116.55 116.25 2wh8 n ASP 210 Ca 0.00 -1.99 -0.29 0.00 0.71 0.00 0.00 54.79 53.22 2wh8 n ASP 210 Cb 0.00 -0.10 0.13 0.00 -0.02 0.00 0.00 41.12 41.13 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 -1.80 3.90 0.18 -2.24 -4.77 -1.26 -4.38 116.67 106.31 2wh8 s ASP 211 Ca 0.33 0.66 -0.10 0.00 -3.30 0.00 0.00 52.55 50.14 2wh8 s ASP 211 Cb 0.21 -1.03 0.06 0.00 -1.09 0.00 0.00 42.92 41.07 2wh8 s ASP 211 CO 0.31 -2.27 1.63 0.00 0.70 0.00 0.00 175.17 175.54 2wh8 h ALA 212 N -1.31 0.80 -0.02 2.11 0.00 -1.77 -2.03 119.26 117.03 2wh8 h ALA 212 Ca -0.46 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.16 2wh8 h ALA 212 Cb 1.30 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2wh8 h ALA 212 CO 0.57 0.64 -0.11 0.82 0.00 0.00 0.00 179.25 181.18 2wh8 h ILE 213 N 0.94 0.73 -0.95 0.00 2.04 -1.82 -1.80 117.51 116.65 2wh8 h ILE 213 Ca 0.17 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.14 2wh8 h ILE 213 Cb 0.57 0.73 -0.08 0.00 -0.74 0.00 0.00 36.82 37.30 2wh8 h ILE 213 CO 0.03 0.00 0.61 0.28 0.00 0.00 0.00 178.15 179.07 2wh8 h SER 214 N -0.17 0.85 -0.57 1.72 0.02 -1.82 -0.82 113.55 112.76 2wh8 h SER 214 Ca 0.05 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 2wh8 h SER 214 Cb 0.23 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2wh8 h SER 214 CO -0.12 0.47 0.02 0.45 -1.14 0.00 0.00 176.83 176.51 2wh8 h HIS 215 N 0.92 1.10 -0.61 3.45 3.86 -0.82 -1.53 115.15 121.52 2wh8 h HIS 215 Ca 0.46 -0.17 -0.06 0.00 -1.16 0.00 0.00 60.37 59.43 2wh8 h HIS 215 Cb 0.49 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 2wh8 h HIS 215 CO -0.00 0.97 0.13 -0.07 0.86 0.00 0.00 177.93 179.82 2wh8 h LEU 216 N 0.94 0.94 -0.35 2.43 3.38 -0.67 -3.05 115.31 118.94 2wh8 h LEU 216 Ca 0.17 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2wh8 h LEU 216 Cb 0.51 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2wh8 h LEU 216 CO 0.02 0.94 -0.12 0.58 0.09 0.00 0.00 178.44 179.96 2wh8 h VAL 217 N 0.90 1.28 -0.06 1.22 2.07 -0.84 -2.37 116.25 118.45 2wh8 h VAL 217 Ca 0.19 -1.21 0.02 0.00 0.82 0.00 0.00 66.70 66.52 2wh8 h VAL 217 Cb 0.38 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2wh8 h VAL 217 CO 0.01 0.40 0.07 0.00 0.02 0.00 0.00 177.57 178.06 2wh8 h ALA 218 N 0.80 1.67 -0.25 1.67 0.00 -1.37 -0.45 119.26 121.34 2wh8 h ALA 218 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wh8 h ALA 218 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wh8 h ALA 218 CO 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.19 2wh8 n ALA 219 N -2.35 2.49 -0.51 0.00 0.00 -0.92 -4.91 120.51 114.30 2wh8 n ALA 219 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2wh8 n ALA 219 Cb 0.17 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.09 0.86 3.68 0.00 0.00 -0.18 -5.08 105.19 105.56 2wh8 n GLY 220 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2wh8 n GLY 220 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wh8 n VAL 221 N -2.00 0.55 -0.56 1.61 0.31 -1.02 -4.89 118.33 112.33 2wh8 n VAL 221 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2wh8 n VAL 221 Cb 0.00 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 30.72 2wh8 n VAL 221 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wh8 n GLY 225 N 4.38 0.00 3.87 2.92 0.00 -1.26 -4.67 105.19 110.42 2wh8 n GLY 225 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2wh8 n GLY 225 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wh8 n ASP 226 N 0.13 0.00 -0.31 1.61 2.03 -1.26 0.68 116.55 119.43 2wh8 n ASP 226 Ca 0.00 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.33 2wh8 n ASP 226 Cb 0.00 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.55 2wh8 n ASP 226 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2wh8 h THR 227 N 0.00 1.01 -0.50 5.18 2.02 -2.02 0.15 112.91 118.76 2wh8 h THR 227 Ca 0.00 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 66.81 2wh8 h THR 227 Cb 0.00 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 2wh8 h THR 227 CO 0.00 0.17 0.11 0.00 0.37 0.00 0.00 175.52 176.17 2wh8 h ALA 228 N 1.42 1.26 -0.36 6.16 0.00 -1.87 0.20 119.26 126.08 2wh8 h ALA 228 Ca 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2wh8 h ALA 228 Cb 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2wh8 h ALA 228 CO -0.19 0.51 0.19 0.78 0.00 0.00 0.00 179.25 180.54 2wh8 h GLY 229 N 0.93 0.55 1.09 0.00 0.00 0.29 -0.15 103.07 105.79 2wh8 h GLY 229 Ca 0.16 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.20 2wh8 h GLY 229 CO -0.00 0.25 0.36 -0.84 0.00 0.00 0.00 176.54 176.31 2wh8 h THR 230 N 0.46 1.25 -0.77 4.70 2.02 -0.52 -1.84 112.91 118.21 2wh8 h THR 230 Ca 0.13 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 2wh8 h THR 230 Cb 0.08 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.70 2wh8 h THR 230 CO -0.02 0.31 0.39 0.25 0.37 0.00 0.00 175.52 176.83 2wh8 h LEU 231 N 1.15 0.99 -1.35 2.58 5.85 -0.25 -0.25 115.31 124.04 2wh8 h LEU 231 Ca 0.27 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 2wh8 h LEU 231 Cb 0.15 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2wh8 h LEU 231 CO -0.03 0.83 0.36 0.77 -0.34 0.00 0.00 178.44 180.04 2wh8 h SER 232 N 1.08 0.71 -0.28 1.25 4.64 -0.17 0.38 113.55 121.15 2wh8 h SER 232 Ca 0.27 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.45 2wh8 h SER 232 Cb 0.09 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 2wh8 h SER 232 CO -0.04 0.54 -0.23 0.40 -0.87 0.00 0.00 176.83 176.64 2wh8 h ILE 233 N 0.82 1.30 -0.83 0.95 2.04 -1.12 -1.19 117.51 119.48 2wh8 h ILE 233 Ca 0.22 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 2wh8 h ILE 233 Cb -0.04 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 2wh8 h ILE 233 CO -0.04 0.44 0.44 -0.07 0.00 0.00 0.00 178.15 178.92 2wh8 h LEU 234 N 0.40 1.04 -0.89 1.44 3.38 -0.49 -0.87 115.31 119.31 2wh8 h LEU 234 Ca 0.05 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2wh8 h LEU 234 Cb 0.78 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2wh8 h LEU 234 CO 0.06 0.84 0.03 0.00 0.09 0.00 0.00 178.44 179.46 2wh8 h ALA 235 N 1.33 1.08 -0.55 1.53 0.00 -0.16 -1.57 119.26 120.92 2wh8 h ALA 235 Ca 0.29 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2wh8 h ALA 235 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2wh8 h ALA 235 CO -0.04 0.59 0.21 0.35 0.00 0.00 0.00 179.25 180.35 2wh8 h PHE 236 N 0.79 0.85 -0.61 0.00 3.57 -0.71 -0.85 116.94 119.98 2wh8 h PHE 236 Ca 0.16 -0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.69 2wh8 h PHE 236 Cb 0.44 -0.25 -0.08 0.00 2.79 0.00 0.00 35.95 38.85 2wh8 h PHE 236 CO 0.02 0.70 0.21 1.15 -2.23 0.00 0.00 178.31 178.16 2wh8 h THR 237 N 0.75 0.73 -0.60 4.41 2.02 -0.50 -0.76 112.91 118.96 2wh8 h THR 237 Ca 0.18 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 67.14 2wh8 h THR 237 Cb 0.22 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2wh8 h THR 237 CO -0.01 0.07 0.00 -0.26 0.37 0.00 0.00 175.52 175.69 2wh8 h PHE 238 N 0.37 1.16 -0.59 3.16 0.04 -1.09 -0.88 116.94 119.12 2wh8 h PHE 238 Ca 0.31 -0.20 0.10 0.00 2.80 0.00 0.00 57.97 60.99 2wh8 h PHE 238 Cb 0.41 -0.30 -0.08 0.00 2.20 0.00 0.00 35.95 38.18 2wh8 h PHE 238 CO -0.19 1.02 0.15 1.15 -0.60 0.00 0.00 178.31 179.84 2wh8 h THR 239 N 0.96 0.68 -0.20 -1.55 2.02 -0.68 0.26 112.91 114.40 2wh8 h THR 239 Ca 0.17 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 2wh8 h THR 239 Cb 0.56 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2wh8 h THR 239 CO 0.03 0.05 0.03 0.24 0.37 0.00 0.00 175.52 176.24 2wh8 h MET 240 N 0.29 0.34 -0.21 6.66 2.86 -0.74 -1.25 114.93 122.88 2wh8 h MET 240 Ca 0.30 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 2wh8 h MET 240 Cb 0.43 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2wh8 h MET 240 CO -0.37 0.50 0.06 0.28 1.06 0.00 0.00 176.91 178.44 2wh8 h VAL 241 N 0.12 1.19 0.00 -2.22 2.07 -1.00 -0.08 116.25 116.35 2wh8 h VAL 241 Ca 0.06 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2wh8 h VAL 241 Cb 0.33 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2wh8 h VAL 241 CO 0.01 0.19 -0.10 0.71 0.02 0.00 0.00 177.57 178.40 2wh8 h THR 242 N 0.16 0.00 0.00 2.57 1.35 -0.47 -3.31 112.91 113.21 2wh8 h THR 242 Ca 0.07 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 2wh8 h THR 242 Cb 0.24 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2wh8 h THR 242 CO -0.00 0.00 -1.37 0.61 -0.25 0.00 0.00 175.52 174.51 2wh8 n GLY 243 N 1.15 -0.65 0.48 5.82 0.00 -0.47 -4.70 105.19 106.80 2wh8 n GLY 243 Ca 0.04 -0.41 0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 1.50 0.07 0.31 -0.02 0.00 -0.04 -4.43 105.19 102.56 2wh8 n GLY 244 Ca -0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.53 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 0.25 0.31 0.05 1.61 3.02 -1.25 -4.43 115.26 114.82 2wh8 n ASN 245 Ca 0.08 0.05 0.05 0.00 -0.03 0.00 0.00 54.58 54.73 2wh8 n ASN 245 Cb 0.37 -0.40 0.47 0.00 -0.61 0.00 0.00 39.78 39.61 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 -0.13 0.38 -0.22 6.41 2.03 -1.84 -1.74 116.42 121.31 2wh8 h ASP 246 Ca 0.00 -0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 56.29 2wh8 h ASP 246 Cb 0.13 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 38.52 2wh8 h ASP 246 CO 0.00 0.27 0.13 0.71 -1.03 0.00 0.00 179.24 179.32 2wh8 h THR 247 N 0.45 1.09 -0.63 1.15 1.35 -1.85 0.10 112.91 114.57 2wh8 h THR 247 Ca 0.12 -0.22 -0.09 0.00 -0.55 0.00 0.00 66.41 65.67 2wh8 h THR 247 Cb -0.04 0.84 -0.02 0.00 -1.73 0.00 0.00 68.15 67.20 2wh8 h THR 247 CO -0.03 0.09 0.03 0.58 -0.25 0.00 0.00 175.52 175.94 2wh8 h VAL 248 N 0.27 1.26 -0.85 6.82 2.07 -1.63 -0.92 116.25 123.28 2wh8 h VAL 248 Ca 0.08 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.51 2wh8 h VAL 248 Cb 0.03 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 2wh8 h VAL 248 CO -0.01 0.41 0.56 0.74 0.02 0.00 0.00 177.57 179.28 2wh8 h THR 249 N 0.99 1.18 -0.18 2.57 2.02 -1.10 -0.30 112.91 118.08 2wh8 h THR 249 Ca 0.18 -0.38 -0.14 0.00 0.77 0.00 0.00 66.41 66.85 2wh8 h THR 249 Cb 0.52 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2wh8 h THR 249 CO 0.03 0.20 -0.48 1.23 0.37 0.00 0.00 175.52 176.87 2wh8 h GLY 250 N 1.10 0.51 0.73 2.16 0.00 -0.25 0.33 103.07 107.65 2wh8 h GLY 250 Ca 0.32 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2wh8 h GLY 250 CO -0.08 0.50 -0.06 1.98 0.00 0.00 0.00 176.54 178.87 2wh8 h MET 251 N 0.38 -0.17 0.42 4.80 -1.53 -0.58 0.72 114.93 118.97 2wh8 h MET 251 Ca 0.02 0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.27 2wh8 h MET 251 Cb 0.98 0.04 0.00 0.00 -0.55 0.00 0.00 31.60 32.07 2wh8 h MET 251 CO 0.09 0.11 -0.20 -0.07 0.14 0.00 0.00 176.91 176.98 2wh8 h LEU 252 N -0.45 -0.48 -0.44 3.39 3.38 -1.02 -2.12 115.31 117.57 2wh8 h LEU 252 Ca -0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2wh8 h LEU 252 Cb 0.36 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2wh8 h LEU 252 CO 0.03 -0.21 0.20 1.23 0.09 0.00 0.00 178.44 179.79 2wh8 h GLY 253 N -0.74 0.69 2.00 0.83 0.00 -1.03 -2.71 103.07 102.10 2wh8 h GLY 253 Ca -0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2wh8 h GLY 253 CO 0.09 0.33 -0.03 -1.33 0.00 0.00 0.00 176.54 175.60 2wh8 h GLY 254 N 0.57 0.00 2.00 4.60 0.00 -0.88 -2.62 103.07 106.74 2wh8 h GLY 254 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 2wh8 h GLY 254 CO -0.02 0.00 -0.12 1.76 0.00 0.00 0.00 176.54 178.16 2wh8 h SER 255 N 0.00 0.00 0.09 0.19 0.02 -1.04 -3.36 113.55 109.45 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 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2wh8 h SER 255 CO 0.00 0.12 -0.04 0.24 -1.14 0.00 0.00 176.83 176.01 2wh8 h MET 256 N 0.00 -0.11 -0.58 3.45 2.86 -1.44 -0.70 114.93 118.40 2wh8 h MET 256 Ca -0.00 0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 2wh8 h MET 256 Cb 1.04 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 2wh8 h MET 256 CO 0.02 -0.07 0.09 -1.00 1.06 0.00 0.00 176.91 177.01 2wh8 h PRO 257 N -0.13 0.94 -0.53 -0.22 0.13 -1.75 0.17 132.00 130.61 2wh8 h PRO 257 Ca -0.01 -0.23 0.04 0.00 -0.87 0.00 0.00 66.00 64.93 2wh8 h PRO 257 Cb 0.10 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 31.07 2wh8 h PRO 257 CO 0.02 0.87 0.29 -0.07 -0.23 0.00 0.00 178.00 178.88 2wh8 h LEU 258 N 0.89 0.43 -0.02 1.56 3.38 -1.61 -0.99 115.31 118.94 2wh8 h LEU 258 Ca 0.18 0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.91 2wh8 h LEU 258 Cb 0.40 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.10 2wh8 h LEU 258 CO 0.01 0.30 -1.01 -0.07 0.09 0.00 0.00 178.44 177.76 2wh8 h LEU 259 N 0.56 0.91 -0.66 1.67 3.38 -0.90 -3.26 115.31 117.01 2wh8 h LEU 259 Ca 0.23 -0.71 0.07 0.00 0.09 0.00 0.00 57.88 57.56 2wh8 h LEU 259 Cb 0.11 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 2wh8 h LEU 259 CO -0.14 1.52 0.34 -0.74 0.09 0.00 0.00 178.44 179.51 2wh8 h HIS 260 N 0.41 0.62 0.00 1.13 2.76 -0.36 -2.53 115.15 117.18 2wh8 h HIS 260 Ca -0.12 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 2wh8 h HIS 260 Cb 1.66 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 30.44 2wh8 h HIS 260 CO 0.10 0.26 0.00 0.54 -1.30 0.00 0.00 177.93 177.53 2wh8 n ARG 261 N -4.84 0.05 -3.43 5.26 3.00 -0.40 -4.28 116.66 112.02 2wh8 n ARG 261 Ca 0.09 0.31 -0.26 0.00 -0.01 0.00 0.00 57.85 57.98 2wh8 n ARG 261 Cb 0.21 -1.61 -0.09 0.00 0.00 0.00 0.00 32.46 30.97 2wh8 n ARG 261 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wh8 n ARG 262 N -1.71 1.27 -0.02 5.56 5.12 -0.95 -4.94 116.66 120.99 2wh8 n ARG 262 Ca 0.03 -3.83 0.22 0.00 -1.93 0.00 0.00 57.85 52.34 2wh8 n ARG 262 Cb 0.18 -1.80 0.71 0.00 -1.16 0.00 0.00 32.46 30.38 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 4.70 0.00 -0.52 5.56 0.11 -1.75 -1.45 132.00 138.65 2wh8 h PRO 263 Ca 0.17 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 2wh8 h PRO 263 Cb 0.81 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 2wh8 h PRO 263 CO 0.59 0.00 0.07 0.38 -0.21 0.00 0.00 178.00 178.82 2wh8 h ASP 264 N 0.00 0.78 0.09 -2.05 2.03 -1.93 0.17 116.42 115.51 2wh8 h ASP 264 Ca 0.27 -0.17 -0.27 0.00 -0.73 0.00 0.00 57.03 56.14 2wh8 h ASP 264 Cb 1.13 -0.21 0.02 0.00 -0.83 0.00 0.00 39.33 39.45 2wh8 h ASP 264 CO -0.00 0.81 -1.07 1.56 -1.03 0.00 0.00 179.24 179.51 2wh8 h GLN 265 N 0.78 0.64 -0.65 4.15 1.08 -1.67 -2.48 115.11 116.96 2wh8 h GLN 265 Ca 0.16 -0.72 -0.07 0.00 -1.45 0.00 0.00 58.65 56.58 2wh8 h GLN 265 Cb 0.38 0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.99 2wh8 h GLN 265 CO 0.01 1.30 0.14 0.00 -0.95 0.00 0.00 178.83 179.33 2wh8 h ARG 266 N 0.35 1.04 -0.98 1.46 3.08 -0.99 -2.37 114.38 115.97 2wh8 h ARG 266 Ca -0.13 -0.25 0.03 0.00 0.07 0.00 0.00 59.98 59.70 2wh8 h ARG 266 Cb 1.72 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 31.58 2wh8 h ARG 266 CO 0.20 0.94 0.64 -0.09 -1.07 0.00 0.00 179.97 180.60 2wh8 h ARG 267 N 0.99 1.22 -0.98 0.04 9.65 -0.52 0.16 114.38 124.94 2wh8 h ARG 267 Ca 0.20 -0.07 0.10 0.00 -1.10 0.00 0.00 59.98 59.11 2wh8 h ARG 267 Cb 0.38 -0.28 -0.08 0.00 -1.39 0.00 0.00 29.97 28.61 2wh8 h ARG 267 CO 0.01 0.81 0.62 -0.07 2.80 0.00 0.00 179.97 184.13 2wh8 h LEU 268 N 1.26 0.94 0.00 3.80 4.07 -0.96 -1.34 115.31 123.08 2wh8 h LEU 268 Ca 0.38 0.04 -0.20 0.00 0.08 0.00 0.00 57.88 58.18 2wh8 h LEU 268 Cb -0.04 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.52 2wh8 h LEU 268 CO -0.11 0.53 -1.10 -0.07 -1.08 0.00 0.00 178.44 176.61 2wh8 h LEU 269 N 1.03 0.00 -0.75 1.67 3.38 -1.14 -1.66 115.31 117.83 2wh8 h LEU 269 Ca 0.47 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.39 2wh8 h LEU 269 Cb 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2wh8 h LEU 269 CO -0.24 0.82 0.29 -0.07 0.09 0.00 0.00 178.44 179.33 2wh8 h LEU 270 N 0.00 1.04 0.00 1.67 3.38 -0.23 -2.52 115.31 118.65 2wh8 h LEU 270 Ca -0.09 -0.18 -0.18 0.00 0.09 0.00 0.00 57.88 57.52 2wh8 h LEU 270 Cb 1.71 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 42.16 2wh8 h LEU 270 CO 0.09 0.94 -0.97 0.44 0.09 0.00 0.00 178.44 179.03 2wh8 h ASP 271 N 1.09 0.00 -2.19 -0.43 3.32 -1.30 -3.41 116.42 113.49 2wh8 h ASP 271 Ca 0.25 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.79 2wh8 h ASP 271 Cb 0.23 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.43 2wh8 h ASP 271 CO -0.02 0.79 -0.87 -0.62 -1.72 0.00 0.00 179.24 176.81 2wh8 s ASP 272 N -6.45 1.32 0.50 6.45 2.15 -0.63 -4.99 116.67 115.03 2wh8 s ASP 272 Ca 0.01 -2.58 0.34 0.00 0.43 0.00 0.00 52.55 50.74 2wh8 s ASP 272 Cb 0.09 -0.04 1.83 0.00 -0.30 0.00 0.00 42.92 44.50 2wh8 s ASP 272 CO 0.80 -0.19 2.03 -0.65 -0.17 0.00 0.00 175.17 176.99 2wh8 h PRO 273 N 5.98 0.00 0.00 4.34 0.11 -1.69 -0.90 132.00 139.84 2wh8 h PRO 273 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2wh8 h PRO 273 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2wh8 h PRO 273 CO 0.29 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.47 2wh8 n GLU 274 N -2.69 0.03 0.00 1.05 4.71 -1.26 -1.72 120.64 120.75 2wh8 n GLU 274 Ca -0.02 0.23 0.12 0.00 -0.01 0.00 0.00 57.16 57.48 2wh8 n GLU 274 Cb 0.06 -1.55 0.56 0.00 -1.01 0.00 0.00 31.44 29.50 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 0.24 -1.23 0.32 0.62 0.00 -0.34 -4.18 105.19 100.62 2wh8 n GLY 275 Ca 0.04 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 1.24 -0.70 -0.61 2.04 -1.53 -1.51 117.51 116.44 2wh8 h ILE 276 Ca 0.00 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2wh8 h ILE 276 Cb 0.34 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2wh8 h ILE 276 CO 0.00 0.29 0.39 -0.65 0.00 0.00 0.00 178.15 178.17 2wh8 h PRO 277 N 1.10 0.98 -0.40 2.37 0.11 -1.82 0.12 132.00 134.46 2wh8 h PRO 277 Ca 0.27 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 2wh8 h PRO 277 Cb 0.10 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 2wh8 h PRO 277 CO -0.04 0.73 0.07 -0.44 -0.21 0.00 0.00 178.00 178.11 2wh8 h ASP 278 N 0.96 0.55 -0.37 -2.05 3.32 -1.70 -2.04 116.42 115.09 2wh8 h ASP 278 Ca 0.25 -0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 2wh8 h ASP 278 Cb 0.03 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 2wh8 h ASP 278 CO -0.04 0.57 0.03 0.00 -1.72 0.00 0.00 179.24 178.07 2wh8 h ALA 279 N 1.51 1.19 -0.62 3.45 0.00 -0.24 -2.54 119.26 122.00 2wh8 h ALA 279 Ca 0.13 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2wh8 h ALA 279 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2wh8 h ALA 279 CO 0.00 0.54 0.18 0.28 0.00 0.00 0.00 179.25 180.25 2wh8 h VAL 280 N 0.70 1.24 -0.69 0.00 2.07 -0.06 -0.47 116.25 119.03 2wh8 h VAL 280 Ca 0.14 -0.82 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 2wh8 h VAL 280 Cb 0.39 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2wh8 h VAL 280 CO 0.01 0.32 0.17 -0.33 0.02 0.00 0.00 177.57 177.76 2wh8 h GLU 281 N 0.91 1.11 -0.24 1.57 4.39 -1.29 -0.47 114.58 120.56 2wh8 h GLU 281 Ca 0.20 -0.27 -0.12 0.00 0.34 0.00 0.00 59.36 59.51 2wh8 h GLU 281 Cb 0.28 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2wh8 h GLU 281 CO -0.01 0.98 -0.37 1.49 -1.16 0.00 0.00 179.01 179.94 2wh8 h GLU 282 N 1.04 0.54 -0.09 2.33 4.57 -1.11 0.21 114.58 122.07 2wh8 h GLU 282 Ca 0.22 -0.26 -0.19 0.00 -1.18 0.00 0.00 59.36 57.95 2wh8 h GLU 282 Cb 0.37 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 2wh8 h GLU 282 CO 0.00 0.83 -0.74 -0.07 -1.18 0.00 0.00 179.01 177.85 2wh8 h LEU 283 N 0.45 0.56 -1.07 1.64 3.38 -0.88 -1.81 115.31 117.58 2wh8 h LEU 283 Ca 0.05 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 2wh8 h LEU 283 Cb 0.85 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2wh8 h LEU 283 CO 0.07 1.12 0.08 -0.07 0.09 0.00 0.00 178.44 179.73 2wh8 h LEU 284 N 0.32 0.69 -0.11 1.67 3.38 -0.93 -0.36 115.31 119.98 2wh8 h LEU 284 Ca -0.04 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2wh8 h LEU 284 Cb 1.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2wh8 h LEU 284 CO 0.13 0.72 0.07 -0.09 0.09 0.00 0.00 178.44 179.36 2wh8 h ARG 285 N 0.71 0.15 0.09 1.13 2.43 -0.64 -1.38 114.38 116.87 2wh8 h ARG 285 Ca 0.15 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 59.06 2wh8 h ARG 285 Cb 0.33 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2wh8 h ARG 285 CO 0.00 0.11 -1.17 -0.07 -1.51 0.00 0.00 179.97 177.34 2wh8 h LEU 286 N 0.14 0.34 0.09 3.80 3.38 -1.10 -3.31 115.31 118.66 2wh8 h LEU 286 Ca 0.04 -0.36 -0.29 0.00 0.09 0.00 0.00 57.88 57.36 2wh8 h LEU 286 Cb -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2wh8 h LEU 286 CO -0.01 1.27 -1.45 0.71 0.09 0.00 0.00 178.44 179.05 2wh8 h THR 287 N 0.07 1.23 -6.52 0.22 1.35 -1.14 -3.48 112.91 104.63 2wh8 h THR 287 Ca -0.10 -2.89 -0.33 0.00 -0.55 0.00 0.00 66.41 62.53 2wh8 h THR 287 Cb 1.89 2.75 -0.00 0.00 -1.73 0.00 0.00 68.15 71.06 2wh8 h THR 287 CO 0.19 0.81 -0.65 -1.20 -0.25 0.00 0.00 175.52 174.42 2wh8 n SER 288 N -3.40 -2.71 -0.32 5.36 7.64 -0.52 -4.76 113.62 114.91 2wh8 n SER 288 Ca -0.14 -0.68 0.07 0.00 1.01 0.00 0.00 58.87 59.14 2wh8 n SER 288 Cb 1.03 -0.95 0.23 0.00 -1.01 0.00 0.00 64.21 63.51 2wh8 n SER 288 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2wh8 h PRO 289 N -0.03 0.74 -6.14 1.43 0.11 -1.83 -2.47 132.00 123.82 2wh8 h PRO 289 Ca -0.41 -0.04 -0.57 0.00 0.11 0.00 0.00 66.00 65.09 2wh8 h PRO 289 Cb 0.85 -0.17 -0.10 0.00 0.11 0.00 0.00 31.00 31.70 2wh8 h PRO 289 CO 0.26 0.49 0.99 0.08 -0.21 0.00 0.00 178.00 179.61 2wh8 s VAL 290 N -5.96 3.87 0.18 3.15 1.01 -1.26 -0.54 120.40 120.85 2wh8 s VAL 290 Ca -0.12 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2wh8 s VAL 290 Cb 0.22 -4.88 -0.14 0.00 0.00 0.00 0.00 36.38 31.58 2wh8 s VAL 290 CO 0.79 -1.78 1.40 1.56 0.00 0.00 0.00 175.10 177.07 2wh8 h GLN 291 N 9.90 0.12 -2.02 2.72 1.08 -0.52 -3.38 115.11 123.00 2wh8 h GLN 291 Ca -0.23 -0.13 -0.06 0.00 -1.45 0.00 0.00 58.65 56.78 2wh8 h GLN 291 Cb 1.05 0.04 -0.19 0.00 -0.05 0.00 0.00 27.48 28.33 2wh8 h GLN 291 CO 1.27 0.90 0.19 0.20 -0.95 0.00 0.00 178.83 180.44 2wh8 s GLY 292 N -4.54 -0.58 0.01 3.46 0.00 -1.18 0.24 107.32 104.72 2wh8 s GLY 292 Ca -0.02 1.30 -0.09 0.00 0.00 0.00 0.00 44.72 45.91 2wh8 s GLY 292 CO 0.81 0.94 0.18 1.08 0.00 0.00 0.00 173.10 176.11 2wh8 s LEU 293 N -1.23 1.41 0.47 0.66 1.43 -0.98 -4.72 118.68 115.73 2wh8 s LEU 293 Ca -0.11 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2wh8 s LEU 293 Cb -0.00 0.85 0.01 0.00 0.03 0.00 0.00 46.19 47.08 2wh8 s LEU 293 CO 0.09 -0.45 0.67 0.00 0.23 0.00 0.00 176.35 176.89 2wh8 s ALA 294 N -1.83 3.95 0.17 4.21 0.00 0.86 -0.45 121.76 128.67 2wh8 s ALA 294 Ca -0.11 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 50.57 2wh8 s ALA 294 Cb -0.05 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 2wh8 s ALA 294 CO -0.00 -0.45 0.11 1.03 0.00 0.00 0.00 175.76 176.45 2wh8 s ARG 295 N -4.55 1.10 -0.11 0.00 1.81 0.22 -4.49 118.95 112.93 2wh8 s ARG 295 Ca 0.52 -1.55 0.04 0.00 -1.72 0.00 0.00 55.73 53.01 2wh8 s ARG 295 Cb -0.10 0.26 0.00 0.00 -0.45 0.00 0.00 34.95 34.67 2wh8 s ARG 295 CO 0.37 -0.35 -0.23 0.99 -0.68 0.00 0.00 175.30 175.40 2wh8 s THR 296 N -4.11 2.09 0.23 0.02 2.01 0.06 -0.37 115.64 115.57 2wh8 s THR 296 Ca 0.33 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 2wh8 s THR 296 Cb 0.07 -1.81 -0.09 0.00 0.01 0.00 0.00 72.50 70.68 2wh8 s THR 296 CO 0.08 0.56 1.24 0.42 -0.69 0.00 0.00 174.62 176.23 2wh8 s THR 297 N 0.45 3.27 -1.68 -0.82 -4.23 -0.35 -0.73 115.64 111.55 2wh8 s THR 297 Ca -0.16 1.13 0.24 0.00 -1.18 0.00 0.00 61.69 61.72 2wh8 s THR 297 Cb -0.17 -3.72 0.04 0.00 1.34 0.00 0.00 72.50 69.99 2wh8 s THR 297 CO 0.06 0.21 1.23 0.35 -0.54 0.00 0.00 174.62 175.94 2wh8 n THR 298 N 1.99 0.00 -3.77 3.99 -2.24 -0.14 -0.97 114.28 113.14 2wh8 n THR 298 Ca 0.03 -0.15 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 2wh8 n THR 298 Cb 0.43 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.50 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 -2.62 1.59 0.38 -0.78 1.70 -1.26 -4.80 118.95 113.14 2wh8 s ARG 299 Ca 0.18 -0.84 -0.28 0.00 -0.47 0.00 0.00 55.73 54.32 2wh8 s ARG 299 Cb 0.18 0.57 -0.11 0.00 -0.57 0.00 0.00 34.95 35.02 2wh8 s ARG 299 CO 0.62 -0.72 1.49 -0.51 -1.08 0.00 0.00 175.30 175.10 2wh8 s ASP 300 N -2.88 6.32 -0.02 -2.89 1.11 -1.26 -3.62 116.67 113.43 2wh8 s ASP 300 Ca 0.10 3.07 0.01 0.00 0.18 0.00 0.00 52.55 55.90 2wh8 s ASP 300 Cb -0.04 -2.67 0.02 0.00 1.07 0.00 0.00 42.92 41.29 2wh8 s ASP 300 CO 0.03 -0.89 -0.01 0.54 1.18 0.00 0.00 175.17 176.02 2wh8 s VAL 301 N -1.11 0.16 -0.21 -1.27 0.11 0.00 -4.87 120.40 113.21 2wh8 s VAL 301 Ca 0.53 0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 59.56 2wh8 s VAL 301 Cb -0.47 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2wh8 s VAL 301 CO 0.64 0.11 0.01 -0.89 -3.33 0.00 0.00 175.10 171.64 2wh8 s THR 302 N 0.65 4.02 -0.26 5.04 2.01 -1.26 -0.44 115.64 125.39 2wh8 s THR 302 Ca -0.06 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.67 2wh8 s THR 302 Cb -0.09 -2.83 0.06 0.00 0.01 0.00 0.00 72.50 69.64 2wh8 s THR 302 CO -0.01 0.41 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.60 2wh8 s ILE 303 N 1.16 2.28 0.00 1.82 1.01 0.00 -4.96 121.20 122.51 2wh8 s ILE 303 Ca 0.03 -1.56 0.00 0.00 0.00 0.00 0.00 60.65 59.12 2wh8 s ILE 303 Cb -0.14 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.00 2wh8 s ILE 303 CO 0.02 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 2wh8 n GLY 304 N 4.47 3.56 1.58 6.18 0.00 -1.26 -1.86 105.19 117.87 2wh8 n GLY 304 Ca -0.14 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 6.70 4.70 -4.13 1.61 5.75 -1.26 -4.88 116.55 125.03 2wh8 n ASP 305 Ca 0.00 -2.62 -0.30 0.00 -0.01 0.00 0.00 54.79 51.86 2wh8 n ASP 305 Cb 0.00 -0.61 -0.17 0.00 -1.03 0.00 0.00 41.12 39.32 2wh8 n ASP 305 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2wh8 s THR 306 N -2.20 1.79 -0.27 2.12 2.01 -0.78 -5.10 115.64 113.21 2wh8 s THR 306 Ca 0.46 -0.83 -0.11 0.00 0.31 0.00 0.00 61.69 61.52 2wh8 s THR 306 Cb 0.33 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 2wh8 s THR 306 CO 0.17 0.50 0.18 -0.89 -0.69 0.00 0.00 174.62 173.89 2wh8 s THR 307 N 0.71 5.22 -0.18 -0.82 2.01 -1.26 -0.82 115.64 120.50 2wh8 s THR 307 Ca -0.11 0.14 -0.20 0.00 0.31 0.00 0.00 61.69 61.82 2wh8 s THR 307 Cb -0.16 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 2wh8 s THR 307 CO 0.02 0.27 0.61 -0.63 -0.69 0.00 0.00 174.62 174.20 2wh8 s ILE 308 N 1.68 5.05 0.57 1.82 1.01 0.41 -4.93 121.20 126.81 2wh8 s ILE 308 Ca 0.07 1.16 -0.19 0.00 0.00 0.00 0.00 60.65 61.69 2wh8 s ILE 308 Cb -0.16 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 2wh8 s ILE 308 CO 0.10 0.16 1.17 -2.84 0.00 0.00 0.00 174.94 173.53 2wh8 s PRO 309 N 1.62 3.17 0.16 2.79 0.02 -1.26 -0.82 135.00 140.68 2wh8 s PRO 309 Ca 0.29 1.74 -0.32 0.00 0.02 0.00 0.00 61.00 62.72 2wh8 s PRO 309 Cb -0.16 -1.98 -0.17 0.00 0.02 0.00 0.00 34.50 32.21 2wh8 s PRO 309 CO 0.11 -1.03 0.88 0.00 -0.33 0.00 0.00 177.00 176.63 2wh8 n ALA 310 N -1.42 -2.16 -0.89 -1.55 0.00 -1.24 -3.12 120.51 110.13 2wh8 n ALA 310 Ca 0.13 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2wh8 n ALA 310 Cb 0.50 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 1.80 0.55 3.81 0.00 0.00 -0.14 -4.93 105.19 106.29 2wh8 n GLY 311 Ca 0.17 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.17 3.02 0.47 1.61 1.81 -1.18 -4.83 118.95 119.68 2wh8 s ARG 312 Ca 0.00 -0.66 -0.20 0.00 -1.72 0.00 0.00 55.73 53.16 2wh8 s ARG 312 Cb 0.00 -2.79 -0.09 0.00 -0.45 0.00 0.00 34.95 31.61 2wh8 s ARG 312 CO 0.00 0.56 0.99 1.03 -0.68 0.00 0.00 175.30 177.20 2wh8 s ARG 313 N -2.54 4.01 -0.08 3.54 0.52 -1.26 -1.21 118.95 121.94 2wh8 s ARG 313 Ca 0.31 1.17 -0.02 0.00 -0.52 0.00 0.00 55.73 56.67 2wh8 s ARG 313 Cb -0.12 -2.14 0.03 0.00 0.52 0.00 0.00 34.95 33.24 2wh8 s ARG 313 CO 0.24 -0.23 0.02 0.08 0.02 0.00 0.00 175.30 175.42 2wh8 s VAL 314 N -2.20 0.28 -0.29 3.52 1.01 0.50 -1.12 120.40 122.10 2wh8 s VAL 314 Ca 0.63 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 62.48 2wh8 s VAL 314 Cb -0.12 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.78 2wh8 s VAL 314 CO 0.19 0.20 0.94 -0.22 0.00 0.00 0.00 175.10 176.22 2wh8 s LEU 315 N 2.01 4.04 -0.51 3.92 2.96 0.73 -0.61 118.68 131.21 2wh8 s LEU 315 Ca 0.05 1.00 -0.23 0.00 -0.22 0.00 0.00 54.13 54.72 2wh8 s LEU 315 Cb -0.13 -3.35 0.04 0.00 0.50 0.00 0.00 46.19 43.25 2wh8 s LEU 315 CO -0.05 -0.70 0.85 -0.76 -1.32 0.00 0.00 176.35 174.37 2wh8 s LEU 316 N 3.23 4.25 -1.27 -0.68 1.43 0.40 -1.06 118.68 124.98 2wh8 s LEU 316 Ca 0.40 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 53.03 2wh8 s LEU 316 Cb -0.14 -2.85 0.12 0.00 0.03 0.00 0.00 46.19 43.35 2wh8 s LEU 316 CO 0.11 -1.08 1.65 0.18 0.23 0.00 0.00 176.35 177.44 2wh8 n LEU 317 N 7.06 5.31 -0.32 1.79 4.77 -0.32 -2.31 117.00 132.98 2wh8 n LEU 317 Ca 0.01 -4.22 0.17 0.00 -0.03 0.00 0.00 56.01 51.93 2wh8 n LEU 317 Cb 0.47 -1.67 0.36 0.00 -2.33 0.00 0.00 43.42 40.25 2wh8 n LEU 317 CO 0.61 0.56 1.05 1.88 -1.33 0.00 0.00 177.39 180.16 2wh8 h TYR 318 N 7.14 0.69 -0.10 -1.77 0.05 -1.54 0.80 116.97 122.25 2wh8 h TYR 318 Ca 0.40 0.04 -0.04 0.00 0.05 0.00 0.00 58.73 59.18 2wh8 h TYR 318 Cb 0.84 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 2wh8 h TYR 318 CO 1.27 -0.11 -0.11 0.78 -1.05 0.00 0.00 178.16 178.95 2wh8 h GLY 319 N 0.35 0.16 0.61 3.88 0.00 -0.39 -0.79 103.07 106.90 2wh8 h GLY 319 Ca 0.62 -0.09 -0.27 0.00 0.00 0.00 0.00 47.33 47.59 2wh8 h GLY 319 CO -0.58 0.08 -1.32 0.23 0.00 0.00 0.00 176.54 174.96 2wh8 h SER 320 N 0.15 0.42 -0.79 0.19 0.87 -1.40 -3.27 113.55 109.72 2wh8 h SER 320 Ca 0.03 -0.88 0.10 0.00 -1.23 0.00 0.00 61.79 59.82 2wh8 h SER 320 Cb 0.29 -0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 62.03 2wh8 h SER 320 CO 0.02 1.59 0.42 0.00 -0.53 0.00 0.00 176.83 178.33 2wh8 h ALA 321 N -0.01 1.12 0.00 6.23 0.00 -0.76 0.16 119.26 126.01 2wh8 h ALA 321 Ca -0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wh8 h ALA 321 Cb 1.77 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2wh8 h ALA 321 CO 0.09 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.43 2wh8 n ASN 322 N -4.81 0.65 -0.30 0.00 3.02 -0.32 -2.46 115.26 111.03 2wh8 n ASN 322 Ca 0.13 0.72 0.06 0.00 -0.03 0.00 0.00 54.58 55.47 2wh8 n ASN 322 Cb 0.31 -0.84 0.13 0.00 -0.61 0.00 0.00 39.78 38.77 2wh8 n ASN 322 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wh8 n ARG 323 N -2.29 2.30 -2.57 3.52 1.74 0.51 -4.84 116.66 115.03 2wh8 n ARG 323 Ca 0.00 -2.28 -0.43 0.00 -0.77 0.00 0.00 57.85 54.37 2wh8 n ARG 323 Cb 0.13 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 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 -1.93 6.78 0.63 0.55 -1.08 -0.81 -4.71 116.67 116.09 2wh8 s ASP 324 Ca 0.25 0.93 0.31 0.00 -0.52 0.00 0.00 52.55 53.51 2wh8 s ASP 324 Cb 0.20 -2.54 1.70 0.00 -1.46 0.00 0.00 42.92 40.81 2wh8 s ASP 324 CO 0.05 -1.04 2.02 -0.33 0.52 0.00 0.00 175.17 176.39 2wh8 h GLU 325 N 8.75 0.00 0.00 4.34 3.07 -1.91 0.18 114.58 129.00 2wh8 h GLU 325 Ca -0.23 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.57 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 1.06 0.00 -0.32 0.00 -1.40 0.00 0.00 179.01 178.35 2wh8 h ARG 326 N 0.00 0.00 0.00 2.33 3.08 -1.89 0.18 114.38 118.08 2wh8 h ARG 326 Ca 0.07 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.76 2wh8 h ARG 326 Cb 0.65 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.64 2wh8 h ARG 326 CO -0.00 0.32 -2.35 0.94 -1.07 0.00 0.00 179.97 177.80 2wh8 n GLN 327 N -3.64 0.58 -0.03 0.04 -0.06 0.14 -4.68 117.38 109.73 2wh8 n GLN 327 Ca -0.01 0.15 0.07 0.00 -2.00 0.00 0.00 57.00 55.21 2wh8 n GLN 327 Cb 0.43 -1.46 0.08 0.00 -4.06 0.00 0.00 30.24 25.23 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 -3.30 0.09 0.00 3.69 4.02 0.40 -5.01 117.16 117.05 2wh8 n TYR 328 Ca -0.43 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.39 2wh8 n TYR 328 Cb 0.94 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.25 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 0.76 -0.78 0.05 2.72 0.00 0.64 -4.26 105.19 104.32 2wh8 n GLY 329 Ca 0.09 -1.69 0.07 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.86 0.06 -0.95 1.61 -0.02 -1.26 -1.18 135.00 132.40 2wh8 n PRO 330 Ca 0.00 0.39 0.03 0.00 -2.02 0.00 0.00 63.50 61.90 2wh8 n PRO 330 Cb 0.00 -1.63 0.38 0.00 -0.02 0.00 0.00 33.50 32.22 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 -1.75 5.48 -0.24 2.55 5.75 -1.26 -4.62 116.55 122.46 2wh8 n ASP 331 Ca 0.02 -3.04 0.30 0.00 -0.01 0.00 0.00 54.79 52.06 2wh8 n ASP 331 Cb 0.13 -0.71 0.71 0.00 -1.03 0.00 0.00 41.12 40.22 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 3.58 2.87 0.00 2.12 0.00 -1.33 -1.29 119.26 125.22 2wh8 h ALA 332 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wh8 h ALA 332 Cb 2.12 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.97 2wh8 h ALA 332 CO 0.58 -1.17 0.00 0.00 0.00 0.00 0.00 179.25 178.66 2wh8 n ALA 333 N -2.71 2.25 -2.69 0.00 0.00 -1.26 -4.83 120.51 111.27 2wh8 n ALA 333 Ca 0.21 -0.11 -0.27 0.00 0.00 0.00 0.00 53.44 53.27 2wh8 n ALA 333 Cb 1.04 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.81 2.52 -0.12 0.00 2.02 -0.49 -5.08 118.70 114.74 2wh8 s GLU 334 Ca 0.18 -1.00 -0.29 0.00 0.02 0.00 0.00 54.97 53.87 2wh8 s GLU 334 Cb 0.17 -2.45 -0.01 0.00 0.10 0.00 0.00 34.13 31.94 2wh8 s GLU 334 CO 0.44 0.48 1.06 -1.17 0.02 0.00 0.00 175.26 176.10 2wh8 s LEU 335 N -2.82 4.22 -0.31 1.80 2.96 -1.26 -4.99 118.68 118.28 2wh8 s LEU 335 Ca 0.28 1.57 -0.02 0.00 -0.22 0.00 0.00 54.13 55.74 2wh8 s LEU 335 Cb -0.10 -3.55 0.11 0.00 0.50 0.00 0.00 46.19 43.14 2wh8 s LEU 335 CO 0.19 -0.53 0.13 -0.62 -1.32 0.00 0.00 176.35 174.20 2wh8 s ASP 336 N 1.23 3.70 0.00 3.68 2.15 -1.26 -5.00 116.67 121.17 2wh8 s ASP 336 Ca 0.49 -1.61 0.08 0.00 0.43 0.00 0.00 52.55 51.94 2wh8 s ASP 336 Cb -0.19 -0.62 0.37 0.00 -0.30 0.00 0.00 42.92 42.19 2wh8 s ASP 336 CO 0.16 -0.41 1.23 1.33 -0.17 0.00 0.00 175.17 177.32 2wh8 n VAL 337 N 4.85 1.26 0.44 1.11 0.24 -1.26 -1.32 118.33 123.65 2wh8 n VAL 337 Ca -0.02 0.32 0.11 0.00 -2.04 0.00 0.00 64.34 62.71 2wh8 n VAL 337 Cb 0.41 -1.17 0.17 0.00 -1.47 0.00 0.00 33.84 31.77 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 -1.44 0.37 -0.34 3.34 -2.24 -1.26 -3.78 114.28 108.93 2wh8 n THR 338 Ca 0.03 -0.68 0.06 0.00 -2.27 0.00 0.00 64.05 61.18 2wh8 n THR 338 Cb 0.09 1.10 0.21 0.00 -2.10 0.00 0.00 70.33 69.63 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 4.13 0.92 -6.09 -0.78 2.43 -1.56 -3.47 114.38 109.95 2wh8 h ARG 339 Ca 0.00 -0.06 -0.40 0.00 -0.81 0.00 0.00 59.98 58.71 2wh8 h ARG 339 Cb 0.92 -0.21 0.10 0.00 -0.42 0.00 0.00 29.97 30.36 2wh8 h ARG 339 CO 0.00 0.61 -0.92 0.00 -1.51 0.00 0.00 179.97 178.15 2wh8 s PRO 341 N -5.73 4.22 0.22 0.00 0.04 -1.26 -5.00 135.00 127.48 2wh8 s PRO 341 Ca 0.43 2.40 0.06 0.00 0.04 0.00 0.00 61.00 63.92 2wh8 s PRO 341 Cb -0.13 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 2wh8 s PRO 341 CO 0.84 -0.46 0.23 1.03 0.04 0.00 0.00 177.00 178.68 2wh8 s ARG 342 N -0.85 3.10 -1.47 4.56 1.81 -1.26 -4.62 118.95 120.22 2wh8 s ARG 342 Ca 0.58 -0.89 -0.08 0.00 -1.72 0.00 0.00 55.73 53.62 2wh8 s ARG 342 Cb -0.44 -2.70 0.05 0.00 -0.45 0.00 0.00 34.95 31.41 2wh8 s ARG 342 CO 0.49 0.44 0.75 0.09 -0.68 0.00 0.00 175.30 176.39 2wh8 n ASN 343 N -0.96 -2.61 -4.74 0.23 3.02 -1.26 -4.94 115.26 104.00 2wh8 n ASN 343 Ca -0.08 -0.87 -0.33 0.00 -0.03 0.00 0.00 54.58 53.26 2wh8 n ASN 343 Cb 0.56 -3.58 0.08 0.00 -0.61 0.00 0.00 39.78 36.23 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 -3.54 2.82 -1.76 2.41 -4.36 -1.26 -4.95 121.20 110.55 2wh8 s ILE 344 Ca 0.35 0.37 0.18 0.00 -0.26 0.00 0.00 60.65 61.29 2wh8 s ILE 344 Cb -0.18 -2.86 0.44 0.00 1.25 0.00 0.00 42.46 41.11 2wh8 s ILE 344 CO 0.85 -0.25 1.36 0.18 0.24 0.00 0.00 174.94 177.32 2wh8 n LEU 345 N -2.80 3.35 -0.08 0.37 4.77 -1.26 -4.64 117.00 116.71 2wh8 n LEU 345 Ca 0.11 -1.77 0.05 0.00 -0.03 0.00 0.00 56.01 54.38 2wh8 n LEU 345 Cb 0.51 -0.30 0.40 0.00 -2.33 0.00 0.00 43.42 41.70 2wh8 n LEU 345 CO 0.48 0.79 1.19 0.74 -1.33 0.00 0.00 177.39 179.26 2wh8 h THR 346 N 3.51 1.06 -0.46 -5.08 2.02 -1.87 -0.95 112.91 111.15 2wh8 h THR 346 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2wh8 h THR 346 Cb 0.87 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2wh8 h THR 346 CO 0.00 0.11 0.00 0.49 0.37 0.00 0.00 175.52 176.49 2wh8 n PHE 347 N -4.47 1.65 -4.80 3.16 3.72 -1.26 -4.69 117.46 110.77 2wh8 n PHE 347 Ca 0.06 -0.79 0.00 0.00 -0.05 0.00 0.00 57.45 56.68 2wh8 n PHE 347 Cb 0.14 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 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 0.19 -3.80 -3.63 4.37 2.88 -0.36 -1.19 113.62 112.09 2wh8 n SER 348 Ca 0.25 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.65 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 -0.76 0.00 0.66 2.46 -1.26 -4.79 115.29 111.59 2wh8 s HIS 349 Ca 0.00 1.83 0.00 0.00 0.47 0.00 0.00 55.06 57.36 2wh8 s HIS 349 Cb 0.00 0.27 0.00 0.00 -0.13 0.00 0.00 32.58 32.72 2wh8 s HIS 349 CO 0.00 -0.38 0.00 0.41 -2.47 0.00 0.00 174.74 172.30 2wh8 n GLY 350 N 2.59 0.20 0.36 1.59 0.00 -1.26 -3.46 105.19 105.21 2wh8 n GLY 350 Ca -0.14 -1.76 0.04 0.00 0.00 0.00 0.00 46.02 44.16 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 1.55 -0.46 4.61 0.00 -1.83 -2.40 119.26 120.73 2wh8 h ALA 351 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wh8 h ALA 351 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2wh8 h ALA 351 CO 0.00 0.35 0.00 0.72 0.00 0.00 0.00 179.25 180.32 2wh8 n HIS 352 N -4.46 0.61 -1.53 0.00 -0.00 -1.26 -4.99 115.22 103.58 2wh8 n HIS 352 Ca 0.11 -0.31 -0.55 0.00 -0.00 0.00 0.00 57.72 56.98 2wh8 n HIS 352 Cb 0.16 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.08 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 1.12 0.89 -1.66 4.41 -0.00 -0.91 -4.61 115.22 114.45 2wh8 n HIS 353 Ca 0.19 0.88 -0.52 0.00 0.46 0.00 0.00 57.72 58.72 2wh8 n HIS 353 Cb 0.49 -2.18 -0.06 0.00 -0.12 0.00 0.00 29.99 28.12 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 6.49 0.00 -1.63 0.00 3.38 -1.93 -2.79 115.31 118.83 2wh8 h LEU 355 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2wh8 h LEU 355 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2wh8 h LEU 355 CO 0.89 0.27 0.00 0.61 0.09 0.00 0.00 178.44 180.30 2wh8 n GLY 356 N -0.22 1.20 0.18 0.83 0.00 -1.26 -4.55 105.19 101.38 2wh8 n GLY 356 Ca -0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 3.42 0.47 -0.65 4.61 0.00 -1.87 0.44 119.26 125.66 2wh8 h ALA 357 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2wh8 h ALA 357 Cb 0.73 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2wh8 h ALA 357 CO 0.08 -0.35 0.23 0.00 0.00 0.00 0.00 179.25 179.21 2wh8 h ALA 358 N 1.37 0.85 -0.52 0.00 0.00 -1.86 -1.72 119.26 117.38 2wh8 h ALA 358 Ca 0.23 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2wh8 h ALA 358 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wh8 h ALA 358 CO -0.33 0.50 -0.05 0.00 0.00 0.00 0.00 179.25 179.36 2wh8 h ALA 359 N 1.09 0.93 -0.30 0.00 0.00 -1.49 0.10 119.26 119.60 2wh8 h ALA 359 Ca 0.21 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2wh8 h ALA 359 Cb 0.25 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2wh8 h ALA 359 CO -0.01 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.90 2wh8 h ALA 360 N 1.10 0.39 -0.62 0.00 0.00 -0.87 -2.18 119.26 117.09 2wh8 h ALA 360 Ca 0.15 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2wh8 h ALA 360 Cb 0.57 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2wh8 h ALA 360 CO 0.03 0.10 0.37 0.00 0.00 0.00 0.00 179.25 179.76 2wh8 h ARG 361 N 0.31 0.70 -0.62 0.00 3.08 -1.07 -0.98 114.38 115.79 2wh8 h ARG 361 Ca 0.09 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 2wh8 h ARG 361 Cb 0.37 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2wh8 h ARG 361 CO 0.01 0.47 0.38 1.98 -1.07 0.00 0.00 179.97 181.73 2wh8 h MET 362 N 0.72 0.85 -0.30 0.04 4.05 -0.63 -0.31 114.93 119.35 2wh8 h MET 362 Ca 0.25 -0.08 -0.03 0.00 -0.28 0.00 0.00 59.70 59.57 2wh8 h MET 362 Cb 0.05 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.66 2wh8 h MET 362 CO -0.12 0.61 0.08 1.96 0.23 0.00 0.00 176.91 179.67 2wh8 h GLN 363 N 0.85 0.47 -0.38 0.39 4.20 -1.02 -0.76 115.11 118.86 2wh8 h GLN 363 Ca 0.22 -0.11 0.07 0.00 0.06 0.00 0.00 58.65 58.90 2wh8 h GLN 363 Cb -0.02 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.62 2wh8 h GLN 363 CO -0.04 0.54 -0.07 0.00 -0.67 0.00 0.00 178.83 178.58 2wh8 h ARG 365 N 0.02 -0.49 -0.99 0.00 2.43 -0.76 0.57 114.38 115.16 2wh8 h ARG 365 Ca 0.18 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.44 2wh8 h ARG 365 Cb 0.28 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 2wh8 h ARG 365 CO -0.37 -0.32 0.65 0.28 -1.51 0.00 0.00 179.97 178.69 2wh8 h VAL 366 N -0.51 1.13 -0.10 0.20 2.07 -1.05 -0.86 116.25 117.13 2wh8 h VAL 366 Ca -0.04 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2wh8 h VAL 366 Cb 0.41 -0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2wh8 h VAL 366 CO 0.06 0.22 -0.08 0.00 0.02 0.00 0.00 177.57 177.79 2wh8 h ALA 367 N 1.44 0.15 -0.58 1.67 0.00 -0.70 -2.07 119.26 119.17 2wh8 h ALA 367 Ca 0.41 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2wh8 h ALA 367 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wh8 h ALA 367 CO -0.15 -0.04 0.03 1.25 0.00 0.00 0.00 179.25 180.34 2wh8 h LEU 368 N -0.15 0.94 -0.01 0.00 5.85 -0.65 0.16 115.31 121.45 2wh8 h LEU 368 Ca 0.02 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.52 2wh8 h LEU 368 Cb 0.57 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2wh8 h LEU 368 CO 0.02 0.98 -0.13 0.74 -0.34 0.00 0.00 178.44 179.72 2wh8 h THR 369 N 0.90 0.68 -0.01 1.05 2.02 -1.10 -1.34 112.91 115.11 2wh8 h THR 369 Ca 0.17 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.19 2wh8 h THR 369 Cb 0.49 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 2wh8 h THR 369 CO 0.02 0.00 -0.75 -0.33 0.37 0.00 0.00 175.52 174.83 2wh8 h GLU 370 N -0.21 0.11 -0.39 6.66 4.39 -1.05 -1.44 114.58 122.65 2wh8 h GLU 370 Ca 0.05 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2wh8 h GLU 370 Cb 0.27 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 2wh8 h GLU 370 CO -0.14 0.81 0.20 1.25 -1.16 0.00 0.00 179.01 179.97 2wh8 h LEU 371 N 0.07 0.50 -1.04 1.33 5.85 -0.89 0.60 115.31 121.73 2wh8 h LEU 371 Ca -0.02 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 2wh8 h LEU 371 Cb 1.32 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2wh8 h LEU 371 CO 0.11 0.47 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.30 2wh8 h LEU 372 N 0.50 0.30 0.00 2.25 3.38 -1.06 0.35 115.31 121.03 2wh8 h LEU 372 Ca 0.14 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 2wh8 h LEU 372 Cb 0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2wh8 h LEU 372 CO -0.02 0.61 -0.90 0.00 0.09 0.00 0.00 178.44 178.22 2wh8 h ALA 373 N 1.42 0.49 0.00 1.53 0.00 -0.99 -3.31 119.26 118.39 2wh8 h ALA 373 Ca 0.04 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 2wh8 h ALA 373 Cb 0.68 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2wh8 h ALA 373 CO 0.05 1.06 -1.25 0.54 0.00 0.00 0.00 179.25 179.65 2wh8 n ARG 374 N -3.27 1.00 -2.67 0.00 1.74 0.18 -4.81 116.66 108.83 2wh8 n ARG 374 Ca -0.01 -0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 56.96 2wh8 n ARG 374 Cb 0.88 -1.12 0.04 0.00 -1.02 0.00 0.00 32.46 31.24 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 2.86 0.84 -3.66 0.00 0.14 -1.61 -3.02 132.00 127.55 2wh8 h PRO 376 Ca -0.12 -0.05 -0.74 0.00 0.14 0.00 0.00 66.00 65.22 2wh8 h PRO 376 Cb 1.20 -0.19 -0.12 0.00 0.14 0.00 0.00 31.00 32.03 2wh8 h PRO 376 CO 0.42 0.55 2.34 -0.25 0.14 0.00 0.00 178.00 181.21 2wh8 n ASP 377 N -4.69 4.74 -4.85 1.44 8.00 -1.26 -4.98 116.55 114.94 2wh8 n ASP 377 Ca 0.13 -3.03 -0.27 0.00 0.71 0.00 0.00 54.79 52.33 2wh8 n ASP 377 Cb 0.24 -1.53 -0.05 0.00 -0.02 0.00 0.00 41.12 39.76 2wh8 n ASP 377 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2wh8 s PHE 378 N 1.21 3.28 -0.03 1.24 -0.71 -1.14 -4.44 117.98 117.38 2wh8 s PHE 378 Ca 0.42 0.05 0.03 0.00 -1.04 0.00 0.00 56.93 56.39 2wh8 s PHE 378 Cb 0.11 -1.58 -0.00 0.00 -1.21 0.00 0.00 43.02 40.34 2wh8 s PHE 378 CO -0.02 0.52 -0.13 -1.21 -1.34 0.00 0.00 175.22 173.04 2wh8 s GLU 379 N -3.06 1.25 0.01 1.99 2.02 0.24 -4.96 118.70 116.19 2wh8 s GLU 379 Ca 0.32 -0.44 0.06 0.00 0.02 0.00 0.00 54.97 54.93 2wh8 s GLU 379 Cb -0.11 -1.14 -0.02 0.00 0.10 0.00 0.00 34.13 32.96 2wh8 s GLU 379 CO 0.25 0.19 -0.18 0.08 0.02 0.00 0.00 175.26 175.62 2wh8 s VAL 380 N 0.04 1.44 -0.24 2.63 1.01 -1.26 -1.35 120.40 122.67 2wh8 s VAL 380 Ca -0.02 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 2wh8 s VAL 380 Cb -0.09 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2wh8 s VAL 380 CO 0.01 0.28 0.11 0.00 0.00 0.00 0.00 175.10 175.50 2wh8 s ALA 381 N -0.59 3.36 0.32 5.51 0.00 -1.26 -4.97 121.76 124.13 2wh8 s ALA 381 Ca 0.06 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.03 2wh8 s ALA 381 Cb -0.08 -2.18 0.56 0.00 0.00 0.00 0.00 23.12 21.42 2wh8 s ALA 381 CO 0.00 -0.34 1.89 0.93 0.00 0.00 0.00 175.76 178.24 2wh8 h GLU 382 N 7.89 0.66 -0.40 0.00 5.08 -1.97 -1.89 114.58 123.93 2wh8 h GLU 382 Ca -0.37 -0.12 0.12 0.00 -1.00 0.00 0.00 59.36 57.99 2wh8 h GLU 382 Cb 1.18 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2wh8 h GLU 382 CO 0.60 0.60 0.32 0.77 -1.00 0.00 0.00 179.01 180.30 2wh8 h SER 383 N 0.64 0.00 -0.02 1.42 0.02 -2.03 -1.62 113.55 111.97 2wh8 h SER 383 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2wh8 h SER 383 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2wh8 h SER 383 CO -0.00 0.00 -0.30 0.54 -1.14 0.00 0.00 176.83 175.92 2wh8 n ARG 384 N -4.23 1.57 -2.12 3.45 1.74 -0.72 -4.93 116.66 111.42 2wh8 n ARG 384 Ca 0.07 -1.24 -0.41 0.00 -0.77 0.00 0.00 57.85 55.49 2wh8 n ARG 384 Cb 0.51 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 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 -2.20 2.94 -0.15 0.55 1.01 -0.61 -4.65 121.20 118.09 2wh8 s ILE 385 Ca 0.20 0.79 -0.03 0.00 0.00 0.00 0.00 60.65 61.61 2wh8 s ILE 385 Cb 0.18 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 2wh8 s ILE 385 CO 0.45 0.12 -0.05 -0.69 0.00 0.00 0.00 174.94 174.77 2wh8 s VAL 386 N 0.04 3.73 -0.08 2.92 1.01 -0.86 -5.00 120.40 122.17 2wh8 s VAL 386 Ca 0.58 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 2wh8 s VAL 386 Cb -0.39 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 2wh8 s VAL 386 CO 0.41 0.50 0.19 0.26 0.00 0.00 0.00 175.10 176.45 2wh8 s TRP 387 N 0.39 3.60 0.58 5.22 0.52 -1.26 0.86 118.94 128.85 2wh8 s TRP 387 Ca -0.05 0.55 -0.19 0.00 0.02 0.00 0.00 56.10 56.43 2wh8 s TRP 387 Cb -0.14 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.18 2wh8 s TRP 387 CO 0.03 0.70 1.18 0.45 0.02 0.00 0.00 176.95 179.33 2wh8 s SER 388 N -1.26 5.34 1.09 2.95 0.15 -0.29 -4.67 113.70 117.00 2wh8 s SER 388 Ca 0.19 2.30 -0.15 0.00 0.70 0.00 0.00 55.95 58.99 2wh8 s SER 388 Cb -0.13 -2.59 0.23 0.00 -1.71 0.00 0.00 66.02 61.83 2wh8 s SER 388 CO 0.09 -1.49 1.09 -0.83 1.20 0.00 0.00 173.24 173.30 2wh8 s GLY 389 N -1.71 1.56 0.00 9.45 0.00 -1.26 -4.04 107.32 111.31 2wh8 s GLY 389 Ca 0.75 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.94 2wh8 s GLY 389 CO 0.32 0.18 0.00 0.61 0.00 0.00 0.00 173.10 174.21 2wh8 n GLY 390 N -0.83 2.86 0.56 0.20 0.00 -1.24 -4.87 105.19 101.86 2wh8 n GLY 390 Ca 0.07 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.69 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 1.88 -0.05 1.61 7.64 -1.26 -4.45 113.62 118.99 2wh8 n SER 391 Ca 0.00 -1.50 -0.06 0.00 1.01 0.00 0.00 58.87 58.31 2wh8 n SER 391 Cb 0.00 0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.26 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 0.27 0.00 -4.31 1.43 4.01 -1.26 -4.40 117.16 112.90 2wh8 n TYR 392 Ca 0.15 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.55 2wh8 n TYR 392 Cb 0.44 -0.39 -0.12 0.00 -0.31 0.00 0.00 39.34 38.96 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 -2.20 3.90 -0.37 -0.72 1.01 -1.26 -0.90 120.40 119.86 2wh8 s VAL 393 Ca -0.12 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 2wh8 s VAL 393 Cb 0.03 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.71 2wh8 s VAL 393 CO 0.24 0.48 0.22 -0.60 0.00 0.00 0.00 175.10 175.44 2wh8 s ARG 394 N 0.55 3.01 -0.18 2.72 3.52 0.30 -4.81 118.95 124.06 2wh8 s ARG 394 Ca -0.02 -0.96 -0.20 0.00 -0.13 0.00 0.00 55.73 54.41 2wh8 s ARG 394 Cb -0.14 -3.77 0.05 0.00 -1.56 0.00 0.00 34.95 29.53 2wh8 s ARG 394 CO 0.02 -0.64 0.55 -0.98 -0.81 0.00 0.00 175.30 173.45 2wh8 s ARG 395 N 1.61 0.69 0.27 5.12 1.04 -1.26 -4.57 118.95 121.85 2wh8 s ARG 395 Ca 0.04 0.67 -0.26 0.00 -1.04 0.00 0.00 55.73 55.13 2wh8 s ARG 395 Cb -0.19 0.33 -0.09 0.00 -2.04 0.00 0.00 34.95 32.96 2wh8 s ARG 395 CO 0.08 -0.11 0.90 -1.25 -0.04 0.00 0.00 175.30 174.88 2wh8 s PRO 396 N 0.06 4.61 0.24 3.89 0.04 -1.26 -1.14 135.00 141.43 2wh8 s PRO 396 Ca -0.02 1.29 0.15 0.00 0.04 0.00 0.00 61.00 62.46 2wh8 s PRO 396 Cb -0.04 -2.97 0.02 0.00 0.04 0.00 0.00 34.50 31.55 2wh8 s PRO 396 CO 0.02 0.38 1.33 -0.07 0.04 0.00 0.00 177.00 178.70 2wh8 h LEU 397 N 3.56 0.00 -7.13 -3.56 3.38 0.19 -3.45 115.31 108.30 2wh8 h LEU 397 Ca -0.47 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 2wh8 h LEU 397 Cb 1.20 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.70 2wh8 h LEU 397 CO 0.66 0.53 -0.16 -0.55 0.09 0.00 0.00 178.44 179.01 2wh8 s SER 398 N -6.35 -0.68 -0.40 -0.43 0.15 -1.01 -4.56 113.70 100.41 2wh8 s SER 398 Ca 0.03 1.14 0.01 0.00 0.70 0.00 0.00 55.95 57.83 2wh8 s SER 398 Cb 0.08 1.03 0.13 0.00 -1.71 0.00 0.00 66.02 65.55 2wh8 s SER 398 CO 0.76 -0.21 0.22 -0.69 1.20 0.00 0.00 173.24 174.52 2wh8 s VAL 399 N 1.40 1.01 0.14 4.45 1.01 -1.26 -2.02 120.40 125.13 2wh8 s VAL 399 Ca -0.09 -2.23 -0.35 0.00 0.00 0.00 0.00 61.98 59.32 2wh8 s VAL 399 Cb -0.07 -1.72 -0.15 0.00 0.00 0.00 0.00 36.38 34.45 2wh8 s VAL 399 CO -0.14 -0.90 1.45 -2.65 0.00 0.00 0.00 175.10 172.85 2wh8 n PRO 400 N 3.79 1.72 -4.14 2.72 -0.02 -1.26 -1.72 135.00 136.09 2wh8 n PRO 400 Ca 0.09 0.62 -0.17 0.00 -2.02 0.00 0.00 63.50 62.01 2wh8 n PRO 400 Cb 0.36 -2.32 -0.15 0.00 -0.02 0.00 0.00 33.50 31.37 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 0.61 0.54 -0.02 6.00 5.36 0.45 -4.27 117.98 126.65 2wh8 s PHE 401 Ca 0.80 -0.11 0.03 0.00 -0.96 0.00 0.00 56.93 56.68 2wh8 s PHE 401 Cb -0.78 -0.44 0.00 0.00 -0.34 0.00 0.00 43.02 41.46 2wh8 s PHE 401 CO 0.43 -0.08 -0.09 -0.98 -1.46 0.00 0.00 175.22 173.03 2wh8 s ARG 402 N 0.35 0.96 0.00 10.12 1.04 -0.46 -0.85 118.95 130.12 2wh8 s ARG 402 Ca -0.04 -0.32 0.00 0.00 -1.04 0.00 0.00 55.73 54.33 2wh8 s ARG 402 Cb -0.08 -0.90 0.00 0.00 -2.04 0.00 0.00 34.95 31.93 2wh8 s ARG 402 CO -0.00 0.13 0.32 1.33 -0.04 0.00 0.00 175.30 177.04