#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xf8 s VAL 2 N 0.00 5.44 0.00 -1.45 0.11 -1.26 -1.10 120.40 122.14 1xf8 s VAL 2 Ca 0.00 0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 58.98 1xf8 s VAL 2 Cb 0.00 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.35 1xf8 s VAL 2 CO 0.00 0.52 1.16 -0.22 -3.33 0.00 0.00 175.10 173.23 1xf8 s LEU 3 N -0.26 4.33 -0.46 2.54 2.96 0.50 -4.98 118.68 123.30 1xf8 s LEU 3 Ca 0.12 1.87 -0.22 0.00 -0.22 0.00 0.00 54.13 55.69 1xf8 s LEU 3 Cb -0.12 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.03 1xf8 s LEU 3 CO 0.01 -0.48 0.72 0.21 -1.32 0.00 0.00 176.35 175.49 1xf8 s ASN 4 N 1.22 6.34 0.38 3.68 2.47 -1.26 -4.70 114.94 123.07 1xf8 s ASN 4 Ca 0.56 -0.33 0.28 0.00 0.42 0.00 0.00 52.86 53.79 1xf8 s ASN 4 Cb -0.26 -2.35 1.23 0.00 -1.45 0.00 0.00 41.25 38.42 1xf8 s ASN 4 CO 0.26 -0.89 1.83 -0.07 -3.72 0.00 0.00 177.10 174.52 1xf8 h LEU 5 N 9.98 0.00 -0.26 3.21 3.38 -1.98 -2.21 115.31 127.44 1xf8 h LEU 5 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1xf8 h LEU 5 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1xf8 h LEU 5 CO 0.95 0.00 -0.03 0.59 0.09 0.00 0.00 178.44 180.04 1xf8 n ASN 6 N -2.55 0.43 -4.25 -0.43 5.03 -1.26 -4.63 115.26 107.61 1xf8 n ASN 6 Ca 0.01 -0.92 -0.40 0.00 0.87 0.00 0.00 54.58 54.14 1xf8 n ASN 6 Cb 0.21 -0.04 -0.09 0.00 -1.02 0.00 0.00 39.78 38.84 1xf8 n ASN 6 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1xf8 s ASP 7 N -2.17 5.66 0.24 6.41 -1.08 -0.83 -4.98 116.67 119.92 1xf8 s ASP 7 Ca 0.39 -1.65 -0.05 0.00 -0.52 0.00 0.00 52.55 50.72 1xf8 s ASP 7 Cb 0.21 -2.00 0.42 0.00 -1.46 0.00 0.00 42.92 40.10 1xf8 s ASP 7 CO 0.40 -0.59 1.75 -0.65 0.52 0.00 0.00 175.17 176.60 1xf8 h PRO 8 N 8.42 0.52 -0.47 4.34 0.11 -1.85 -0.91 132.00 142.15 1xf8 h PRO 8 Ca -0.22 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.82 1xf8 h PRO 8 Cb 1.08 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1xf8 h PRO 8 CO 0.79 0.34 0.16 0.37 -0.21 0.00 0.00 178.00 179.45 1xf8 h GLN 9 N 0.53 0.72 -0.59 1.05 4.15 -1.95 -0.09 115.11 118.94 1xf8 h GLN 9 Ca 0.40 -0.15 -0.09 0.00 0.77 0.00 0.00 58.65 59.57 1xf8 h GLN 9 Cb 0.53 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 1xf8 h GLN 9 CO -0.34 0.68 0.01 0.00 -1.93 0.00 0.00 178.83 177.24 1xf8 h ALA 10 N 1.01 0.79 -0.53 3.38 0.00 -1.77 -1.97 119.26 120.16 1xf8 h ALA 10 Ca 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1xf8 h ALA 10 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xf8 h ALA 10 CO -0.01 0.62 0.26 0.28 0.00 0.00 0.00 179.25 180.41 1xf8 h VAL 11 N 0.93 1.19 -0.79 0.00 2.07 -0.92 -1.25 116.25 117.48 1xf8 h VAL 11 Ca 0.17 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1xf8 h VAL 11 Cb 0.54 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1xf8 h VAL 11 CO 0.03 0.22 0.32 -0.08 0.02 0.00 0.00 177.57 178.07 1xf8 h GLU 12 N 0.71 1.19 -0.52 1.57 4.57 -0.83 0.69 114.58 121.96 1xf8 h GLU 12 Ca 0.18 -0.22 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1xf8 h GLU 12 Cb 0.10 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 1xf8 h GLU 12 CO -0.02 0.96 0.23 0.00 -1.18 0.00 0.00 179.01 179.00 1xf8 h ARG 13 N 1.15 0.76 -0.24 1.92 3.08 -1.08 0.01 114.38 119.98 1xf8 h ARG 13 Ca 0.26 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1xf8 h ARG 13 Cb 0.22 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1xf8 h ARG 13 CO -0.02 0.65 0.13 -0.92 -1.07 0.00 0.00 179.97 178.74 1xf8 h TYR 14 N 0.70 0.34 -0.57 3.04 3.20 -0.84 -2.35 116.97 120.49 1xf8 h TYR 14 Ca 0.18 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1xf8 h TYR 14 Cb 0.15 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1xf8 h TYR 14 CO -0.00 0.29 0.37 0.93 -1.64 0.00 0.00 178.16 178.11 1xf8 h GLU 15 N 0.28 0.75 -0.11 1.82 4.39 -0.59 -2.08 114.58 119.05 1xf8 h GLU 15 Ca 0.09 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1xf8 h GLU 15 Cb 0.07 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1xf8 h GLU 15 CO -0.01 0.51 -0.16 0.93 -1.16 0.00 0.00 179.01 179.12 1xf8 h GLU 16 N 0.77 0.18 -0.25 2.33 5.08 -0.86 0.53 114.58 122.36 1xf8 h GLU 16 Ca 0.21 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 1xf8 h GLU 16 Cb -0.07 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1xf8 h GLU 16 CO -0.04 0.34 -0.24 0.35 -1.00 0.00 0.00 179.01 178.42 1xf8 h PHE 17 N 0.17 0.73 0.23 4.33 3.57 -1.04 -2.48 116.94 122.45 1xf8 h PHE 17 Ca 0.03 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.31 1xf8 h PHE 17 Cb 0.38 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1xf8 h PHE 17 CO 0.00 0.93 -0.11 0.52 -2.23 0.00 0.00 178.31 177.42 1xf8 h MET 18 N 0.33 -0.30 -0.53 1.11 2.86 -0.83 -1.92 114.93 115.65 1xf8 h MET 18 Ca 0.04 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1xf8 h MET 18 Cb 0.80 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.50 1xf8 h MET 18 CO 0.06 -0.08 0.35 0.00 1.06 0.00 0.00 176.91 178.30 1xf8 h ARG 19 N -0.47 0.70 -0.00 1.72 3.08 -0.98 -3.00 114.38 115.43 1xf8 h ARG 19 Ca -0.03 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1xf8 h ARG 19 Cb 0.35 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1xf8 h ARG 19 CO 0.05 0.47 -0.51 1.04 -1.07 0.00 0.00 179.97 179.95 1xf8 n GLN 20 N -4.45 0.21 -2.67 0.04 6.02 -0.93 -4.52 117.38 111.07 1xf8 n GLN 20 Ca 0.05 -0.13 -0.41 0.00 -0.01 0.00 0.00 57.00 56.50 1xf8 n GLN 20 Cb 0.05 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.77 1xf8 n GLN 20 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1xf8 s SER 21 N -2.88 7.47 0.00 1.08 0.15 -0.73 -4.90 113.70 113.89 1xf8 s SER 21 Ca 0.14 1.92 0.11 0.00 0.70 0.00 0.00 55.95 58.82 1xf8 s SER 21 Cb 0.18 -2.60 0.56 0.00 -1.71 0.00 0.00 66.02 62.45 1xf8 s SER 21 CO 0.68 -0.05 1.27 -0.81 1.20 0.00 0.00 173.24 175.53 1xf8 n PRO 22 N 2.33 0.14 -0.16 5.44 -0.04 -1.26 -0.99 135.00 140.46 1xf8 n PRO 22 Ca 0.01 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.76 1xf8 n PRO 22 Cb 0.48 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.61 1xf8 n PRO 22 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xf8 n TYR 23 N -1.31 0.42 -1.68 0.54 4.02 -1.26 -4.50 117.16 113.39 1xf8 n TYR 23 Ca 0.05 -0.27 -0.40 0.00 -0.01 0.00 0.00 57.90 57.27 1xf8 n TYR 23 Cb 0.10 -0.01 0.03 0.00 -0.02 0.00 0.00 39.34 39.44 1xf8 n TYR 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xf8 n GLY 24 N 1.13 0.29 2.94 2.72 0.00 -0.16 -4.68 105.19 107.43 1xf8 n GLY 24 Ca 0.15 0.07 -0.17 0.00 0.00 0.00 0.00 46.02 46.08 1xf8 n GLY 24 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xf8 s GLN 25 N -2.45 0.51 0.33 1.61 -1.52 -1.26 -4.49 119.66 112.39 1xf8 s GLN 25 Ca 0.67 -0.17 0.03 0.00 -1.95 0.00 0.00 55.36 53.95 1xf8 s GLN 25 Cb -0.47 -0.51 0.57 0.00 -0.22 0.00 0.00 33.01 32.38 1xf8 s GLN 25 CO 0.53 0.07 1.88 -0.24 -0.25 0.00 0.00 175.29 177.28 1xf8 h VAL 26 N 5.29 1.20 0.00 1.09 3.04 -1.95 -0.95 116.25 123.96 1xf8 h VAL 26 Ca -0.31 -0.74 0.00 0.00 -1.01 0.00 0.00 66.70 64.64 1xf8 h VAL 26 Cb 1.18 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 1xf8 h VAL 26 CO 0.50 0.26 0.00 0.35 -1.01 0.00 0.00 177.57 177.67 1xf8 n THR 27 N -4.30 0.00 0.44 3.17 -2.24 -1.26 -1.71 114.28 108.38 1xf8 n THR 27 Ca 0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.85 1xf8 n THR 27 Cb 0.22 -0.66 -0.04 0.00 -2.10 0.00 0.00 70.33 67.75 1xf8 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xf8 n GLN 28 N -0.98 3.49 -1.63 -0.78 1.13 -0.39 -4.58 117.38 113.64 1xf8 n GLN 28 Ca 0.15 -0.13 -0.32 0.00 -1.94 0.00 0.00 57.00 54.75 1xf8 n GLN 28 Cb 0.07 -0.97 0.06 0.00 0.11 0.00 0.00 30.24 29.50 1xf8 n GLN 28 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1xf8 s ASP 29 N -1.77 5.01 0.37 1.08 -1.08 -0.70 -4.57 116.67 115.01 1xf8 s ASP 29 Ca 0.05 1.91 0.27 0.00 -0.52 0.00 0.00 52.55 54.27 1xf8 s ASP 29 Cb 0.07 -2.54 1.19 0.00 -1.46 0.00 0.00 42.92 40.18 1xf8 s ASP 29 CO 0.36 -1.70 1.82 -0.07 0.52 0.00 0.00 175.17 176.10 1xf8 h LEU 30 N -0.30 0.00 -1.46 -1.34 3.38 -1.94 -2.09 115.31 111.55 1xf8 h LEU 30 Ca -0.46 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 1xf8 h LEU 30 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1xf8 h LEU 30 CO 0.54 0.00 -0.22 1.23 0.09 0.00 0.00 178.44 180.08 1xf8 h GLY 31 N 1.90 0.00 1.51 0.83 0.00 -1.90 -2.96 103.07 102.45 1xf8 h GLY 31 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1xf8 h GLY 31 CO 0.00 0.00 0.19 -0.25 0.00 0.00 0.00 176.54 176.48 1xf8 h TRP 32 N 0.00 0.63 -0.01 5.60 2.91 -1.59 -1.41 115.95 122.08 1xf8 h TRP 32 Ca -0.00 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 59.96 1xf8 h TRP 32 Cb 0.57 -0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 29.02 1xf8 h TRP 32 CO 0.00 0.49 -0.15 0.00 -1.03 0.00 0.00 178.44 177.75 1xf8 h ALA 33 N 1.58 1.75 0.00 2.65 0.00 -1.70 -0.93 119.26 122.60 1xf8 h ALA 33 Ca 0.16 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1xf8 h ALA 33 Cb 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xf8 h ALA 33 CO -0.02 0.19 -0.58 0.87 0.00 0.00 0.00 179.25 179.72 1xf8 h LYS 34 N 0.01 0.00 0.09 0.00 1.57 -1.38 -2.87 116.57 113.98 1xf8 h LYS 34 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xf8 h LYS 34 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1xf8 h LYS 34 CO 0.02 0.58 -0.04 0.28 -0.57 0.00 0.00 179.45 179.72 1xf8 h VAL 35 N 0.00 1.12 -0.73 0.50 2.07 -1.11 -3.27 116.25 114.82 1xf8 h VAL 35 Ca -0.01 -1.38 -0.66 0.00 0.82 0.00 0.00 66.70 65.47 1xf8 h VAL 35 Cb 1.05 1.93 -0.08 0.00 -1.52 0.00 0.00 31.29 32.66 1xf8 h VAL 35 CO 0.08 0.31 2.48 0.29 0.02 0.00 0.00 177.57 180.75 1xf8 n LYS 36 N -4.84 3.97 0.00 1.57 4.76 -0.46 -4.69 118.16 118.47 1xf8 n LYS 36 Ca -0.08 -2.83 0.03 0.00 -2.87 0.00 0.00 58.31 52.55 1xf8 n LYS 36 Cb 0.29 -2.60 0.13 0.00 -1.84 0.00 0.00 35.03 31.02 1xf8 n LYS 36 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1xf8 n ASN 37 N 2.23 0.00 -0.45 4.39 6.94 -1.09 -1.35 115.26 125.93 1xf8 n ASN 37 Ca 0.65 0.25 0.13 0.00 -0.02 0.00 0.00 54.58 55.58 1xf8 n ASN 37 Cb 0.31 -0.31 0.27 0.00 -2.36 0.00 0.00 39.78 37.69 1xf8 n ASN 37 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1xf8 n ASN 38 N -1.31 1.65 -4.82 0.53 6.94 -1.26 -4.91 115.26 112.07 1xf8 n ASN 38 Ca 0.02 -1.33 -0.22 0.00 -0.02 0.00 0.00 54.58 53.03 1xf8 n ASN 38 Cb 0.05 0.18 -0.05 0.00 -2.36 0.00 0.00 39.78 37.60 1xf8 n ASN 38 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1xf8 s TRP 39 N -2.32 3.11 -0.23 -2.53 0.52 -0.45 -4.96 118.94 112.07 1xf8 s TRP 39 Ca 0.26 -0.10 -0.14 0.00 0.02 0.00 0.00 56.10 56.15 1xf8 s TRP 39 Cb 0.19 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 31.06 1xf8 s TRP 39 CO 0.47 0.52 0.30 -2.00 0.02 0.00 0.00 176.95 176.26 1xf8 s GLU 40 N -3.75 4.09 0.01 4.98 2.12 -0.66 -4.84 118.70 120.65 1xf8 s GLU 40 Ca 0.33 -0.03 -0.23 0.00 0.36 0.00 0.00 54.97 55.40 1xf8 s GLU 40 Cb -0.08 -3.57 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 1xf8 s GLU 40 CO 0.25 -0.07 0.68 -1.25 -0.54 0.00 0.00 175.26 174.32 1xf8 s PRO 41 N 1.42 4.40 -0.07 4.30 0.04 -1.26 0.02 135.00 143.85 1xf8 s PRO 41 Ca 0.13 0.88 -0.03 0.00 0.04 0.00 0.00 61.00 62.03 1xf8 s PRO 41 Cb -0.15 -3.36 0.04 0.00 0.04 0.00 0.00 34.50 31.07 1xf8 s PRO 41 CO 0.07 0.30 0.09 0.08 0.04 0.00 0.00 177.00 177.59 1xf8 s VAL 42 N -0.04 -0.15 -0.02 -0.36 1.01 -0.72 -5.00 120.40 115.12 1xf8 s VAL 42 Ca 0.35 0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.69 1xf8 s VAL 42 Cb -0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 1xf8 s VAL 42 CO 0.20 0.09 -0.20 -1.81 0.00 0.00 0.00 175.10 173.38 1xf8 s ASP 43 N 2.20 2.38 0.18 3.32 1.01 -1.26 -0.61 116.67 123.88 1xf8 s ASP 43 Ca 0.04 -0.37 0.02 0.00 0.71 0.00 0.00 52.55 52.95 1xf8 s ASP 43 Cb -0.13 -0.35 -0.05 0.00 1.01 0.00 0.00 42.92 43.41 1xf8 s ASP 43 CO -0.05 0.23 0.00 0.68 0.21 0.00 0.00 175.17 176.25 1xf8 s VAL 44 N -0.38 0.69 0.25 -1.27 -7.23 -0.82 -0.37 120.40 111.27 1xf8 s VAL 44 Ca 0.05 -1.98 -0.20 0.00 -1.81 0.00 0.00 61.98 58.04 1xf8 s VAL 44 Cb -0.09 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.74 1xf8 s VAL 44 CO -0.00 -0.46 0.64 -0.72 -0.31 0.00 0.00 175.10 174.25 1xf8 s TYR 45 N -3.65 -0.16 0.15 2.82 -0.85 -0.26 -1.40 117.35 114.00 1xf8 s TYR 45 Ca 0.24 -0.24 0.09 0.00 -0.52 0.00 0.00 57.07 56.65 1xf8 s TYR 45 Cb 0.06 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.94 1xf8 s TYR 45 CO 0.04 -1.11 -0.21 -0.51 -1.52 0.00 0.00 175.55 172.24 1xf8 s LEU 46 N -2.90 2.39 0.26 -3.49 1.43 0.15 -0.16 118.68 116.35 1xf8 s LEU 46 Ca 0.11 -0.81 0.11 0.00 -1.03 0.00 0.00 54.13 52.51 1xf8 s LEU 46 Cb -0.04 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 1xf8 s LEU 46 CO 0.03 0.05 -0.19 -1.61 0.23 0.00 0.00 176.35 174.86 1xf8 s GLU 47 N -2.46 1.61 0.00 1.70 2.02 -1.26 -1.61 118.70 118.70 1xf8 s GLU 47 Ca 0.15 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.42 1xf8 s GLU 47 Cb -0.08 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.48 1xf8 s GLU 47 CO 0.07 0.31 0.00 -0.40 0.02 0.00 0.00 175.26 175.26 1xf8 n ASP 48 N -0.50 0.00 0.28 -0.19 3.85 -0.36 -4.84 116.55 114.78 1xf8 n ASP 48 Ca -0.06 -0.74 0.15 0.00 -0.71 0.00 0.00 54.79 53.42 1xf8 n ASP 48 Cb 0.60 0.00 0.81 0.00 -1.35 0.00 0.00 41.12 41.17 1xf8 n ASP 48 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1xf8 h ASP 49 N 0.00 0.00 1.01 -1.12 3.32 -2.02 -2.19 116.42 115.43 1xf8 h ASP 49 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xf8 h ASP 49 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xf8 h ASP 49 CO 0.00 0.08 -0.39 0.00 -1.72 0.00 0.00 179.24 177.21 1xf8 n GLN 50 N -3.56 0.23 -0.53 3.56 3.00 -1.26 -4.93 117.38 113.89 1xf8 n GLN 50 Ca -0.02 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1xf8 n GLN 50 Cb 0.20 -1.69 0.00 0.00 0.00 0.00 0.00 30.24 28.76 1xf8 n GLN 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xf8 n GLY 51 N 1.36 0.72 3.83 1.08 0.00 -0.82 -5.05 105.19 106.31 1xf8 n GLY 51 Ca 0.04 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1xf8 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xf8 s ALA 52 N -2.00 3.62 0.13 4.61 0.00 -1.26 -4.78 121.76 122.08 1xf8 s ALA 52 Ca 0.00 -0.08 -0.31 0.00 0.00 0.00 0.00 51.96 51.57 1xf8 s ALA 52 Cb 0.00 -2.54 -0.08 0.00 0.00 0.00 0.00 23.12 20.50 1xf8 s ALA 52 CO 0.00 0.44 1.36 0.42 0.00 0.00 0.00 175.76 177.98 1xf8 s ILE 53 N -1.21 3.30 0.00 0.00 1.01 -1.26 -1.23 121.20 121.82 1xf8 s ILE 53 Ca 0.30 0.97 0.00 0.00 0.00 0.00 0.00 60.65 61.92 1xf8 s ILE 53 Cb -0.17 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1xf8 s ILE 53 CO 0.18 0.09 0.14 2.30 0.00 0.00 0.00 174.94 177.65 1xf8 n ILE 54 N 3.63 0.00 -3.62 2.92 -5.35 -0.63 -4.92 119.36 111.39 1xf8 n ILE 54 Ca 0.10 -0.48 -0.12 0.00 -0.27 0.00 0.00 62.75 61.98 1xf8 n ILE 54 Cb 0.43 1.01 -0.07 0.00 -1.74 0.00 0.00 39.64 39.27 1xf8 n ILE 54 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xf8 s ALA 55 N -0.68 -1.88 0.05 -1.28 0.00 -1.22 -4.85 121.76 111.91 1xf8 s ALA 55 Ca 0.00 1.87 -0.08 0.00 0.00 0.00 0.00 51.96 53.75 1xf8 s ALA 55 Cb 0.00 -1.16 -0.00 0.00 0.00 0.00 0.00 23.12 21.95 1xf8 s ALA 55 CO 0.00 -0.29 0.17 0.00 0.00 0.00 0.00 175.76 175.63 1xf8 s ALA 56 N 0.07 -0.23 -0.16 0.00 0.00 -1.07 -0.68 121.76 119.69 1xf8 s ALA 56 Ca 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 1xf8 s ALA 56 Cb -0.04 0.33 0.08 0.00 0.00 0.00 0.00 23.12 23.49 1xf8 s ALA 56 CO -0.01 -0.39 0.30 1.41 0.00 0.00 0.00 175.76 177.06 1xf8 s MET 57 N -2.99 0.20 -0.34 0.00 0.00 -0.49 0.06 119.30 115.73 1xf8 s MET 57 Ca -0.02 0.72 -0.13 0.00 0.00 0.00 0.00 55.69 56.26 1xf8 s MET 57 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 34.83 34.68 1xf8 s MET 57 CO -0.06 -0.36 0.27 -1.12 0.00 0.00 0.00 175.02 173.75 1xf8 s SER 58 N 2.46 6.09 0.15 1.11 0.01 -1.26 -1.94 113.70 120.32 1xf8 s SER 58 Ca 0.02 -0.37 0.05 0.00 1.31 0.00 0.00 55.95 56.96 1xf8 s SER 58 Cb -0.13 -2.15 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 1xf8 s SER 58 CO -0.10 -0.26 0.13 -0.04 0.41 0.00 0.00 173.24 173.38 1xf8 s MET 59 N 1.79 2.89 -0.06 12.44 -1.94 0.22 -4.39 119.30 130.24 1xf8 s MET 59 Ca 0.07 -0.85 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 1xf8 s MET 59 Cb -0.17 -2.65 0.02 0.00 2.01 0.00 0.00 34.83 34.04 1xf8 s MET 59 CO 0.11 0.49 -0.05 -0.51 -0.01 0.00 0.00 175.02 175.06 1xf8 s LEU 60 N -3.01 1.14 -0.23 -0.03 1.43 -0.41 -1.76 118.68 115.81 1xf8 s LEU 60 Ca 0.31 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 1xf8 s LEU 60 Cb -0.10 -0.55 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 1xf8 s LEU 60 CO 0.23 -0.09 0.17 -0.76 0.23 0.00 0.00 176.35 176.12 1xf8 s LEU 61 N 1.30 4.13 0.23 1.79 1.02 0.10 -1.24 118.68 126.01 1xf8 s LEU 61 Ca -0.05 0.14 0.09 0.00 0.02 0.00 0.00 54.13 54.34 1xf8 s LEU 61 Cb -0.14 -2.12 -0.04 0.00 0.02 0.00 0.00 46.19 43.91 1xf8 s LEU 61 CO -0.02 0.08 -0.07 -0.83 0.02 0.00 0.00 176.35 175.53 1xf8 s GLY 62 N 0.96 1.71 0.62 -3.19 0.00 0.15 -1.65 107.32 105.92 1xf8 s GLY 62 Ca 0.08 -1.59 -0.11 0.00 0.00 0.00 0.00 44.72 43.10 1xf8 s GLY 62 CO 0.04 -1.63 1.03 0.99 0.00 0.00 0.00 173.10 173.53 1xf8 s ASP 63 N -3.25 6.18 0.31 1.64 1.01 -1.26 -0.73 116.67 120.57 1xf8 s ASP 63 Ca 0.28 1.43 0.05 0.00 0.71 0.00 0.00 52.55 55.02 1xf8 s ASP 63 Cb -0.07 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1xf8 s ASP 63 CO 0.17 -0.90 0.22 0.42 0.21 0.00 0.00 175.17 175.29 1xf8 s THR 64 N -3.17 0.08 -2.00 -1.27 -4.23 -1.25 -4.77 115.64 99.03 1xf8 s THR 64 Ca 0.55 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.25 1xf8 s THR 64 Cb -0.11 -2.49 0.53 0.00 1.34 0.00 0.00 72.50 71.77 1xf8 s THR 64 CO 0.54 0.00 1.52 -2.65 -0.54 0.00 0.00 174.62 173.48 1xf8 n PRO 65 N -0.57 0.61 -4.52 3.99 -0.02 -1.26 -4.77 135.00 128.46 1xf8 n PRO 65 Ca 0.05 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.21 1xf8 n PRO 65 Cb 0.64 -1.48 -0.05 0.00 -0.02 0.00 0.00 33.50 32.58 1xf8 n PRO 65 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xf8 s THR 66 N -2.00 1.19 -2.00 3.45 -4.23 -1.26 -5.01 115.64 105.78 1xf8 s THR 66 Ca 0.28 -1.85 0.25 0.00 -1.18 0.00 0.00 61.69 59.19 1xf8 s THR 66 Cb 0.13 -2.04 0.72 0.00 1.34 0.00 0.00 72.50 72.65 1xf8 s THR 66 CO 0.22 0.00 1.92 -0.90 -0.54 0.00 0.00 174.62 175.32 1xf8 n ASP 67 N -1.45 0.00 -4.81 3.99 3.85 -1.26 -4.81 116.55 112.06 1xf8 n ASP 67 Ca -0.16 -1.01 -0.30 0.00 -0.71 0.00 0.00 54.79 52.62 1xf8 n ASP 67 Cb 0.66 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.38 1xf8 n ASP 67 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1xf8 s LYS 68 N -2.00 3.00 0.23 0.11 -0.14 -1.26 -4.99 119.74 114.69 1xf8 s LYS 68 Ca 0.38 -0.67 -0.02 0.00 -1.36 0.00 0.00 55.97 54.30 1xf8 s LYS 68 Cb 0.17 -2.78 -0.04 0.00 -1.68 0.00 0.00 37.83 33.50 1xf8 s LYS 68 CO 0.29 0.56 0.44 0.15 -0.76 0.00 0.00 175.35 176.03 1xf8 s LYS 69 N -2.57 3.55 -0.35 1.68 -0.14 0.33 -3.96 119.74 118.28 1xf8 s LYS 69 Ca 0.31 -0.26 -0.12 0.00 -1.36 0.00 0.00 55.97 54.54 1xf8 s LYS 69 Cb -0.12 -2.78 -0.00 0.00 -1.68 0.00 0.00 37.83 33.25 1xf8 s LYS 69 CO 0.24 0.34 0.21 0.12 -0.76 0.00 0.00 175.35 175.50 1xf8 s PHE 70 N -1.94 3.22 -0.25 3.18 5.36 0.09 -1.42 117.98 126.20 1xf8 s PHE 70 Ca 0.40 -0.51 -0.15 0.00 -0.96 0.00 0.00 56.93 55.71 1xf8 s PHE 70 Cb -0.11 -2.44 -0.04 0.00 -0.34 0.00 0.00 43.02 40.09 1xf8 s PHE 70 CO 0.29 -0.47 0.36 0.00 -1.46 0.00 0.00 175.22 173.94 1xf8 s ALA 71 N 1.65 3.57 -0.07 11.12 0.00 -0.93 -0.68 121.76 136.42 1xf8 s ALA 71 Ca 0.05 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1xf8 s ALA 71 Cb -0.18 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.29 1xf8 s ALA 71 CO 0.08 -0.56 -0.08 -0.47 0.00 0.00 0.00 175.76 174.73 1xf8 s TYR 72 N 1.86 1.18 -0.74 0.00 5.04 -0.38 -0.74 117.35 123.58 1xf8 s TYR 72 Ca 0.15 -0.44 -0.01 0.00 -2.44 0.00 0.00 57.07 54.33 1xf8 s TYR 72 Cb -0.15 -0.95 0.18 0.00 0.35 0.00 0.00 41.96 41.39 1xf8 s TYR 72 CO 0.09 -0.29 0.57 0.00 -1.34 0.00 0.00 175.55 174.58 1xf8 s ALA 73 N 1.01 3.86 -0.21 3.97 0.00 0.18 -1.28 121.76 129.29 1xf8 s ALA 73 Ca -0.09 -3.57 -0.35 0.00 0.00 0.00 0.00 51.96 47.95 1xf8 s ALA 73 Cb -0.15 -2.64 -0.12 0.00 0.00 0.00 0.00 23.12 20.21 1xf8 s ALA 73 CO -0.00 -2.12 1.96 0.45 0.00 0.00 0.00 175.76 176.05 1xf8 n SER 74 N 2.81 2.89 -2.20 0.00 2.88 -1.26 -1.52 113.62 117.23 1xf8 n SER 74 Ca 0.15 0.79 -0.16 0.00 -1.33 0.00 0.00 58.87 58.32 1xf8 n SER 74 Cb 0.37 -1.31 -0.02 0.00 -0.75 0.00 0.00 64.21 62.50 1xf8 n SER 74 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xf8 n LYS 75 N 6.97 -1.85 -2.96 -1.46 5.02 -1.23 -4.26 118.16 118.38 1xf8 n LYS 75 Ca 0.29 0.80 -0.17 0.00 -2.02 0.00 0.00 58.31 57.21 1xf8 n LYS 75 Cb 0.26 -5.35 0.01 0.00 -0.02 0.00 0.00 35.03 29.92 1xf8 n LYS 75 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xf8 n GLY 76 N -0.75 2.76 3.95 0.72 0.00 -0.58 -4.59 105.19 106.71 1xf8 n GLY 76 Ca -0.18 -2.25 -0.28 0.00 0.00 0.00 0.00 46.02 43.31 1xf8 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xf8 s PRO 77 N -3.51 0.76 -0.65 1.61 0.04 -1.26 -2.99 135.00 129.00 1xf8 s PRO 77 Ca 0.22 -0.62 -0.17 0.00 0.04 0.00 0.00 61.00 60.48 1xf8 s PRO 77 Cb -0.02 -1.95 0.14 0.00 0.04 0.00 0.00 34.50 32.72 1xf8 s PRO 77 CO 0.14 -2.27 0.68 0.08 0.04 0.00 0.00 177.00 175.67 1xf8 s VAL 78 N -3.75 5.12 -0.81 -0.36 1.01 0.11 -4.90 120.40 116.82 1xf8 s VAL 78 Ca 0.73 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1xf8 s VAL 78 Cb -0.03 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.89 1xf8 s VAL 78 CO 0.51 -1.04 0.00 1.15 0.00 0.00 0.00 175.10 175.72 1xf8 n MET 79 N 5.45 -2.82 -2.77 2.72 0.00 -1.26 -2.59 117.12 115.85 1xf8 n MET 79 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.24 1xf8 n MET 79 Cb 0.43 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.62 1xf8 n MET 79 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1xf8 s ASP 80 N -0.69 6.23 0.23 3.17 3.68 -1.26 -4.88 116.67 123.16 1xf8 s ASP 80 Ca 0.00 -1.00 0.17 0.00 2.13 0.00 0.00 52.55 53.86 1xf8 s ASP 80 Cb 0.00 -2.46 0.89 0.00 -1.45 0.00 0.00 42.92 39.90 1xf8 s ASP 80 CO 0.00 -1.50 1.53 1.33 0.13 0.00 0.00 175.17 176.66 1xf8 n VAL 81 N 6.05 1.18 0.70 1.11 0.24 -1.26 -1.26 118.33 125.09 1xf8 n VAL 81 Ca 0.03 0.57 0.13 0.00 -2.04 0.00 0.00 64.34 63.03 1xf8 n VAL 81 Cb 0.47 -1.55 0.47 0.00 -1.47 0.00 0.00 33.84 31.76 1xf8 n VAL 81 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1xf8 n THR 82 N -2.07 0.48 -2.55 3.34 -2.24 -1.26 -3.89 114.28 106.10 1xf8 n THR 82 Ca -0.00 -0.12 -0.43 0.00 -2.27 0.00 0.00 64.05 61.23 1xf8 n THR 82 Cb 0.07 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1xf8 n THR 82 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xf8 n ASP 83 N -2.01 4.96 -0.05 3.42 4.64 -0.39 -4.81 116.55 122.31 1xf8 n ASP 83 Ca 0.05 -2.99 0.07 0.00 -1.38 0.00 0.00 54.79 50.55 1xf8 n ASP 83 Cb 0.37 -1.59 0.44 0.00 -1.04 0.00 0.00 41.12 39.30 1xf8 n ASP 83 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1xf8 h VAL 84 N 4.48 1.03 -0.74 5.18 2.07 -1.83 -1.83 116.25 124.61 1xf8 h VAL 84 Ca 0.40 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.67 1xf8 h VAL 84 Cb 0.77 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1xf8 h VAL 84 CO 1.48 0.10 0.21 0.44 0.02 0.00 0.00 177.57 179.82 1xf8 h ASP 85 N 0.53 1.09 -0.36 0.57 3.32 -1.94 0.25 116.42 119.89 1xf8 h ASP 85 Ca 0.21 -0.22 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 1xf8 h ASP 85 Cb 0.17 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1xf8 h ASP 85 CO -0.06 1.02 -0.36 0.25 -1.72 0.00 0.00 179.24 178.37 1xf8 h LEU 86 N 1.10 0.96 -0.58 1.55 5.85 -1.86 -2.81 115.31 119.52 1xf8 h LEU 86 Ca 0.24 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.56 1xf8 h LEU 86 Cb 0.33 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1xf8 h LEU 86 CO -0.00 1.21 0.34 0.25 -0.34 0.00 0.00 178.44 179.90 1xf8 h LEU 87 N 0.74 0.55 -0.53 2.25 5.85 -0.80 -1.26 115.31 122.11 1xf8 h LEU 87 Ca 0.07 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1xf8 h LEU 87 Cb 0.95 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.81 1xf8 h LEU 87 CO 0.09 0.38 0.20 0.44 -0.34 0.00 0.00 178.44 179.21 1xf8 h ASP 88 N 0.67 0.21 -0.71 1.25 3.32 -0.80 0.17 116.42 120.52 1xf8 h ASP 88 Ca 0.24 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.37 1xf8 h ASP 88 Cb 0.05 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1xf8 h ASP 88 CO -0.11 0.15 0.46 0.03 -1.72 0.00 0.00 179.24 178.04 1xf8 h ARG 89 N 0.38 0.89 -0.57 3.56 3.08 -1.12 0.14 114.38 120.74 1xf8 h ARG 89 Ca 0.25 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.16 1xf8 h ARG 89 Cb 0.27 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1xf8 h ARG 89 CO -0.25 0.59 0.02 1.25 -1.07 0.00 0.00 179.97 180.51 1xf8 h LEU 90 N 0.92 0.97 -0.60 3.04 5.85 -0.27 -2.39 115.31 122.84 1xf8 h LEU 90 Ca 0.28 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 1xf8 h LEU 90 Cb -0.04 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1xf8 h LEU 90 CO -0.08 1.03 -0.02 0.58 -0.34 0.00 0.00 178.44 179.61 1xf8 h VAL 91 N 0.88 1.27 -0.80 1.05 2.07 -0.29 -1.23 116.25 119.20 1xf8 h VAL 91 Ca 0.16 -1.18 0.04 0.00 0.82 0.00 0.00 66.70 66.55 1xf8 h VAL 91 Cb 0.52 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1xf8 h VAL 91 CO 0.03 0.43 0.50 0.44 0.02 0.00 0.00 177.57 178.98 1xf8 h ASP 92 N 0.96 0.80 -0.71 0.57 3.32 -0.52 0.28 116.42 121.13 1xf8 h ASP 92 Ca 0.17 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1xf8 h ASP 92 Cb 0.58 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1xf8 h ASP 92 CO 0.03 0.54 0.20 -0.33 -1.72 0.00 0.00 179.24 177.96 1xf8 h GLU 93 N 0.95 1.12 -0.06 3.56 4.39 -1.04 -1.20 114.58 122.30 1xf8 h GLU 93 Ca 0.33 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1xf8 h GLU 93 Cb 0.08 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1xf8 h GLU 93 CO -0.14 0.97 0.03 0.00 -1.16 0.00 0.00 179.01 178.71 1xf8 h ALA 94 N 1.14 0.07 -0.79 3.43 0.00 0.00 -2.04 119.26 121.08 1xf8 h ALA 94 Ca 0.23 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1xf8 h ALA 94 Cb 0.33 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1xf8 h ALA 94 CO -0.00 -0.38 0.49 0.28 0.00 0.00 0.00 179.25 179.64 1xf8 h VAL 95 N -0.01 1.07 -0.21 0.00 2.07 -0.28 -1.13 116.25 117.75 1xf8 h VAL 95 Ca 0.02 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1xf8 h VAL 95 Cb 0.10 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1xf8 h VAL 95 CO -0.00 0.17 0.14 0.50 0.02 0.00 0.00 177.57 178.39 1xf8 h LYS 96 N 0.92 0.27 0.00 1.57 3.64 -1.01 -2.50 116.57 119.47 1xf8 h LYS 96 Ca 0.33 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1xf8 h LYS 96 Cb 0.09 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1xf8 h LYS 96 CO -0.14 0.18 -0.15 0.00 -2.27 0.00 0.00 179.45 177.06 1xf8 h ALA 97 N 1.08 1.74 0.00 5.00 0.00 -0.78 -0.81 119.26 125.49 1xf8 h ALA 97 Ca 0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xf8 h ALA 97 Cb -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xf8 h ALA 97 CO -0.02 0.19 -0.01 -0.07 0.00 0.00 0.00 179.25 179.33 1xf8 h LEU 98 N 0.00 0.00 -0.95 0.00 3.38 -0.78 -3.47 115.31 113.49 1xf8 h LEU 98 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1xf8 h LEU 98 Cb 0.27 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.83 1xf8 h LEU 98 CO 0.02 0.01 -0.80 -0.67 0.09 0.00 0.00 178.44 177.09 1xf8 n ASP 99 N -3.11 -3.49 -0.38 -0.43 2.03 -0.31 -1.60 116.55 109.26 1xf8 n ASP 99 Ca 0.00 -0.94 -0.05 0.00 0.52 0.00 0.00 54.79 54.32 1xf8 n ASP 99 Cb 0.30 -2.85 -0.02 0.00 -0.72 0.00 0.00 41.12 37.83 1xf8 n ASP 99 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xf8 n GLY 100 N -1.39 0.72 0.14 0.27 0.00 -1.26 -4.91 105.19 98.77 1xf8 n GLY 100 Ca 0.07 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.86 1xf8 n GLY 100 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xf8 h ARG 101 N 0.25 0.00 -6.42 1.61 3.08 -1.68 -3.47 114.38 107.76 1xf8 h ARG 101 Ca -0.10 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.29 1xf8 h ARG 101 Cb 0.52 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.44 1xf8 h ARG 101 CO 0.15 0.00 -0.69 0.00 -1.07 0.00 0.00 179.97 178.36 1xf8 s ALA 102 N -3.28 3.18 -0.72 0.04 0.00 -1.26 -0.52 121.76 119.20 1xf8 s ALA 102 Ca 0.03 -1.18 0.25 0.00 0.00 0.00 0.00 51.96 51.06 1xf8 s ALA 102 Cb 0.09 -1.08 0.47 0.00 0.00 0.00 0.00 23.12 22.59 1xf8 s ALA 102 CO 0.73 0.67 1.42 2.48 0.00 0.00 0.00 175.76 181.06 1xf8 n TYR 103 N 0.56 0.50 -3.49 0.00 0.18 -0.51 -4.49 117.16 109.91 1xf8 n TYR 103 Ca -0.12 0.15 -0.13 0.00 1.88 0.00 0.00 57.90 59.68 1xf8 n TYR 103 Cb 0.52 -0.63 -0.04 0.00 -0.38 0.00 0.00 39.34 38.82 1xf8 n TYR 103 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1xf8 s VAL 104 N -3.13 0.00 -0.24 -3.48 0.11 -1.26 -1.23 120.40 111.17 1xf8 s VAL 104 Ca 0.08 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.14 1xf8 s VAL 104 Cb 0.14 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 34.05 1xf8 s VAL 104 CO 0.69 0.00 -0.07 -0.22 -3.33 0.00 0.00 175.10 172.17 1xf8 s LEU 105 N -2.00 2.81 -0.11 2.54 2.96 -0.92 -2.20 118.68 121.76 1xf8 s LEU 105 Ca -0.02 -1.23 -0.01 0.00 -0.22 0.00 0.00 54.13 52.65 1xf8 s LEU 105 Cb -0.01 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 1xf8 s LEU 105 CO -0.03 -0.22 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.12 1xf8 s ARG 106 N 1.31 3.18 -0.01 1.98 3.52 0.09 -1.30 118.95 127.73 1xf8 s ARG 106 Ca -0.07 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 1xf8 s ARG 106 Cb -0.19 -2.74 0.01 0.00 -1.56 0.00 0.00 34.95 30.47 1xf8 s ARG 106 CO -0.06 0.47 0.00 -0.59 -0.81 0.00 0.00 175.30 174.32 1xf8 s PHE 107 N -0.28 0.08 -0.63 5.12 -0.71 -0.80 -0.65 117.98 120.11 1xf8 s PHE 107 Ca 0.04 0.03 0.05 0.00 -1.04 0.00 0.00 56.93 56.02 1xf8 s PHE 107 Cb -0.13 -0.13 0.20 0.00 -1.21 0.00 0.00 43.02 41.76 1xf8 s PHE 107 CO 0.02 -0.04 0.57 -0.40 -1.34 0.00 0.00 175.22 174.04 1xf8 n ASP 108 N 3.46 2.66 -4.76 1.98 3.85 -1.25 -1.25 116.55 121.24 1xf8 n ASP 108 Ca -0.18 -3.16 -0.36 0.00 -0.71 0.00 0.00 54.79 50.38 1xf8 n ASP 108 Cb 0.56 -0.70 0.02 0.00 -1.35 0.00 0.00 41.12 39.66 1xf8 n ASP 108 CO 0.00 0.00 0.00 -2.16 -1.01 0.00 0.00 177.20 174.03 1xf8 s PRO 109 N -1.63 3.22 -1.38 0.11 0.04 -1.16 -3.58 135.00 130.63 1xf8 s PRO 109 Ca 0.32 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 63.02 1xf8 s PRO 109 Cb 0.05 -2.05 0.09 0.00 0.04 0.00 0.00 34.50 32.63 1xf8 s PRO 109 CO -0.11 -1.00 2.04 0.39 0.04 0.00 0.00 177.00 178.36 1xf8 n GLU 110 N -1.29 3.18 -4.94 4.56 1.02 -1.26 -4.46 120.64 117.44 1xf8 n GLU 110 Ca 0.12 -3.03 -0.26 0.00 -0.02 0.00 0.00 57.16 53.97 1xf8 n GLU 110 Cb 0.49 -3.16 -0.16 0.00 -0.02 0.00 0.00 31.44 28.60 1xf8 n GLU 110 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1xf8 s VAL 111 N 2.16 1.54 0.47 2.62 0.11 -1.26 -5.04 120.40 120.99 1xf8 s VAL 111 Ca 0.44 -0.82 -0.23 0.00 -2.93 0.00 0.00 61.98 58.45 1xf8 s VAL 111 Cb 0.11 -1.29 -0.09 0.00 -1.53 0.00 0.00 36.38 33.59 1xf8 s VAL 111 CO -0.04 0.44 1.04 0.00 -3.33 0.00 0.00 175.10 173.20 1xf8 n ALA 112 N 2.72 0.36 -1.81 1.54 0.00 -1.26 -0.67 120.51 121.40 1xf8 n ALA 112 Ca -0.16 0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 1xf8 n ALA 112 Cb 0.53 -2.12 -0.05 0.00 0.00 0.00 0.00 19.45 17.81 1xf8 n ALA 112 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1xf8 s TYR 113 N -1.33 3.19 -0.24 0.00 5.04 0.51 -4.21 117.35 120.31 1xf8 s TYR 113 Ca 0.66 1.60 -0.26 0.00 -2.44 0.00 0.00 57.07 56.63 1xf8 s TYR 113 Cb -0.51 -2.96 0.11 0.00 0.35 0.00 0.00 41.96 38.95 1xf8 s TYR 113 CO 0.54 -0.43 0.92 -1.54 -1.34 0.00 0.00 175.55 173.71 1xf8 s SER 114 N -2.04 -0.52 0.22 4.32 1.04 -1.26 -4.93 113.70 110.53 1xf8 s SER 114 Ca 0.64 0.90 -0.09 0.00 0.48 0.00 0.00 55.95 57.88 1xf8 s SER 114 Cb -0.13 0.88 0.23 0.00 0.10 0.00 0.00 66.02 67.10 1xf8 s SER 114 CO 0.17 -0.25 1.85 0.44 0.98 0.00 0.00 173.24 176.43 1xf8 h ASP 115 N 3.98 0.77 -0.29 7.02 3.32 -1.98 -0.24 116.42 128.99 1xf8 h ASP 115 Ca -0.27 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.82 1xf8 h ASP 115 Cb 1.17 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 1xf8 h ASP 115 CO 0.16 0.53 0.09 -0.08 -1.72 0.00 0.00 179.24 178.21 1xf8 h GLU 116 N 0.91 0.20 -0.39 3.56 4.22 -1.99 0.77 114.58 121.87 1xf8 h GLU 116 Ca 0.31 -0.01 -0.08 0.00 0.08 0.00 0.00 59.36 59.65 1xf8 h GLU 116 Cb 0.05 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1xf8 h GLU 116 CO -0.12 0.13 -0.09 0.35 -2.18 0.00 0.00 179.01 177.10 1xf8 h PHE 117 N 0.21 0.84 -0.90 0.92 -0.00 -1.86 -1.54 116.94 114.61 1xf8 h PHE 117 Ca 0.13 -0.18 0.03 0.00 -0.00 0.00 0.00 57.97 57.95 1xf8 h PHE 117 Cb 0.11 -0.21 -0.05 0.00 -0.00 0.00 0.00 35.95 35.81 1xf8 h PHE 117 CO -0.14 0.88 0.59 -0.97 -0.00 0.00 0.00 178.31 178.66 1xf8 h ASN 118 N 0.56 0.99 -0.19 0.41 -1.24 -0.75 -1.08 115.58 114.28 1xf8 h ASN 118 Ca 0.10 -0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.04 1xf8 h ASN 118 Cb 0.60 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.42 1xf8 h ASN 118 CO 0.04 0.69 -0.11 0.74 -1.29 0.00 0.00 177.43 177.50 1xf8 h THR 119 N 1.16 1.31 -0.83 -3.57 2.02 -0.68 -2.09 112.91 110.24 1xf8 h THR 119 Ca 0.35 -1.19 0.05 0.00 0.77 0.00 0.00 66.41 66.40 1xf8 h THR 119 Cb -0.04 1.69 -0.06 0.00 -1.74 0.00 0.00 68.15 68.00 1xf8 h THR 119 CO -0.10 0.36 0.51 0.74 0.37 0.00 0.00 175.52 177.40 1xf8 h THR 120 N 0.09 1.06 -0.17 3.16 2.02 -0.99 0.16 112.91 118.24 1xf8 h THR 120 Ca 0.04 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1xf8 h THR 120 Cb 0.60 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1xf8 h THR 120 CO 0.03 0.17 0.10 -0.07 0.37 0.00 0.00 175.52 176.12 1xf8 h LEU 121 N 0.96 0.21 -1.04 2.58 3.38 -1.11 -1.88 115.31 118.41 1xf8 h LEU 121 Ca 0.35 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1xf8 h LEU 121 Cb 0.12 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1xf8 h LEU 121 CO -0.15 0.22 0.37 1.56 0.09 0.00 0.00 178.44 180.53 1xf8 h GLN 122 N 0.18 1.05 0.00 1.13 4.20 -0.72 -1.65 115.11 119.31 1xf8 h GLN 122 Ca 0.06 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1xf8 h GLN 122 Cb 0.05 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.63 1xf8 h GLN 122 CO -0.01 0.80 -0.11 -0.44 -0.67 0.00 0.00 178.83 178.40 1xf8 h ASP 123 N 1.05 0.00 -0.29 1.46 3.32 -0.31 -1.30 116.42 120.35 1xf8 h ASP 123 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1xf8 h ASP 123 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1xf8 h ASP 123 CO -0.04 0.11 0.00 1.41 -1.72 0.00 0.00 179.24 179.01 1xf8 n HIS 124 N -3.90 0.39 0.00 4.55 8.25 -0.65 -4.92 115.22 118.93 1xf8 n HIS 124 Ca -0.02 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1xf8 n HIS 124 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1xf8 n HIS 124 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xf8 n GLY 125 N 1.11 0.36 3.82 -1.41 0.00 -0.49 -5.08 105.19 103.51 1xf8 n GLY 125 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1xf8 n GLY 125 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xf8 s TYR 126 N -2.11 3.22 -0.28 1.61 1.51 -1.01 -4.77 117.35 115.53 1xf8 s TYR 126 Ca 0.00 1.53 -0.08 0.00 -1.01 0.00 0.00 57.07 57.50 1xf8 s TYR 126 Cb 0.00 -2.91 -0.02 0.00 -0.11 0.00 0.00 41.96 38.92 1xf8 s TYR 126 CO 0.00 -0.61 0.11 0.08 -1.11 0.00 0.00 175.55 174.02 1xf8 s VAL 127 N -2.37 4.44 0.01 0.71 1.01 -0.23 -4.04 120.40 119.93 1xf8 s VAL 127 Ca 0.62 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1xf8 s VAL 127 Cb -0.13 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1xf8 s VAL 127 CO 0.27 0.22 0.12 0.42 0.00 0.00 0.00 175.10 176.14 1xf8 s THR 128 N 1.61 4.98 -0.27 3.92 -4.23 -1.26 -0.26 115.64 120.13 1xf8 s THR 128 Ca 0.05 -0.36 -0.00 0.00 -1.18 0.00 0.00 61.69 60.20 1xf8 s THR 128 Cb -0.16 -3.32 0.08 0.00 1.34 0.00 0.00 72.50 70.45 1xf8 s THR 128 CO 0.05 0.31 0.04 -0.13 -0.54 0.00 0.00 174.62 174.35 1xf8 s ARG 129 N -1.91 1.04 0.00 3.99 0.52 -0.11 -4.94 118.95 117.54 1xf8 s ARG 129 Ca 0.26 -1.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 1xf8 s ARG 129 Cb -0.12 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 33.03 1xf8 s ARG 129 CO 0.17 -0.81 0.00 0.27 0.02 0.00 0.00 175.30 174.95 1xf8 n ASN 130 N 4.77 0.00 0.00 0.23 2.04 -1.26 -2.04 115.26 118.99 1xf8 n ASN 130 Ca -0.05 0.00 0.02 0.00 -0.44 0.00 0.00 54.58 54.11 1xf8 n ASN 130 Cb 0.43 0.00 0.12 0.00 -2.53 0.00 0.00 39.78 37.81 1xf8 n ASN 130 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1xf8 n ARG 131 N 0.00 0.08 0.00 -3.83 1.74 -1.26 -1.88 116.66 111.50 1xf8 n ARG 131 Ca 0.00 0.22 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 1xf8 n ARG 131 Cb 0.00 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.07 1xf8 n ARG 131 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1xf8 n ASN 132 N -1.26 1.93 -4.65 0.55 6.94 -1.26 -4.98 115.26 112.54 1xf8 n ASN 132 Ca 0.02 -1.46 -0.26 0.00 -0.02 0.00 0.00 54.58 52.86 1xf8 n ASN 132 Cb 0.04 0.30 -0.09 0.00 -2.36 0.00 0.00 39.78 37.66 1xf8 n ASN 132 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1xf8 s VAL 133 N -2.38 2.23 0.41 3.53 -7.23 -0.79 -4.92 120.40 111.25 1xf8 s VAL 133 Ca 0.23 -1.93 -0.27 0.00 -1.81 0.00 0.00 61.98 58.20 1xf8 s VAL 133 Cb 0.19 -2.92 -0.10 0.00 0.56 0.00 0.00 36.38 34.10 1xf8 s VAL 133 CO 0.50 -0.06 1.48 0.00 -0.31 0.00 0.00 175.10 176.71 1xf8 n ALA 134 N -1.03 2.29 0.24 1.32 0.00 -1.10 -4.92 120.51 117.31 1xf8 n ALA 134 Ca -0.04 0.31 0.07 0.00 0.00 0.00 0.00 53.44 53.78 1xf8 n ALA 134 Cb 0.65 -2.42 0.56 0.00 0.00 0.00 0.00 19.45 18.24 1xf8 n ALA 134 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xf8 h ASP 135 N 2.71 0.00 -1.28 0.00 3.32 -1.94 -3.37 116.42 115.87 1xf8 h ASP 135 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1xf8 h ASP 135 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1xf8 h ASP 135 CO 0.63 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 178.29 1xf8 n ALA 136 N -2.49 0.00 0.00 3.45 0.00 -1.26 -4.87 120.51 115.35 1xf8 n ALA 136 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xf8 n ALA 136 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1xf8 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xf8 n GLY 137 N 0.00 -2.17 0.25 0.00 0.00 -1.26 -3.40 105.19 98.62 1xf8 n GLY 137 Ca 0.00 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.39 1xf8 n GLY 137 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1xf8 n MET 138 N -0.09 1.18 0.00 1.61 0.00 -1.26 -2.96 117.12 115.60 1xf8 n MET 138 Ca 0.00 -0.51 0.11 0.00 0.00 0.00 0.00 57.70 57.30 1xf8 n MET 138 Cb 0.00 -1.49 -0.00 0.00 0.00 0.00 0.00 33.22 31.73 1xf8 n MET 138 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1xf8 n HIS 139 N -0.46 0.00 -1.70 3.17 -0.00 -1.26 -4.95 115.22 110.02 1xf8 n HIS 139 Ca 0.18 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.60 1xf8 n HIS 139 Cb 0.28 -0.04 0.04 0.00 -0.00 0.00 0.00 29.99 30.28 1xf8 n HIS 139 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xf8 s ALA 140 N -2.78 2.78 0.70 -1.41 0.00 -1.15 -4.47 121.76 115.42 1xf8 s ALA 140 Ca 0.13 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 1xf8 s ALA 140 Cb 0.17 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 20.19 1xf8 s ALA 140 CO 0.72 -1.12 1.24 0.95 0.00 0.00 0.00 175.76 177.55 1xf8 s THR 141 N -3.14 2.22 0.12 0.00 -4.23 -1.26 -4.93 115.64 104.41 1xf8 s THR 141 Ca 0.57 0.12 -0.17 0.00 -1.18 0.00 0.00 61.69 61.03 1xf8 s THR 141 Cb -0.13 -2.83 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 1xf8 s THR 141 CO 0.54 -0.05 1.63 0.40 -0.54 0.00 0.00 174.62 176.61 1xf8 h ILE 142 N 0.04 1.21 -3.03 2.99 2.04 -1.97 -3.43 117.51 115.35 1xf8 h ILE 142 Ca -0.49 -0.68 -0.62 0.00 1.00 0.00 0.00 64.86 64.07 1xf8 h ILE 142 Cb 1.31 1.02 -0.08 0.00 -0.74 0.00 0.00 36.82 38.33 1xf8 h ILE 142 CO 0.51 0.23 -0.58 -1.10 0.00 0.00 0.00 178.15 177.21 1xf8 s GLN 143 N -5.39 2.95 0.28 2.37 -1.52 -1.26 -5.09 119.66 112.00 1xf8 s GLN 143 Ca -0.13 -0.71 -0.29 0.00 -1.95 0.00 0.00 55.36 52.27 1xf8 s GLN 143 Cb 0.09 -2.74 -0.10 0.00 -0.22 0.00 0.00 33.01 30.05 1xf8 s GLN 143 CO 0.75 0.55 1.09 -1.25 -0.25 0.00 0.00 175.29 176.18 1xf8 s PRO 144 N -2.59 4.63 0.27 2.91 0.04 -1.26 -4.93 135.00 134.07 1xf8 s PRO 144 Ca 0.30 1.78 0.16 0.00 0.04 0.00 0.00 61.00 63.28 1xf8 s PRO 144 Cb -0.12 -3.16 0.07 0.00 0.04 0.00 0.00 34.50 31.33 1xf8 s PRO 144 CO 0.23 0.21 1.41 0.00 0.04 0.00 0.00 177.00 178.89 1xf8 h ARG 145 N 3.77 0.00 -5.23 4.56 3.08 -1.92 -3.43 114.38 115.20 1xf8 h ARG 145 Ca -0.47 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 58.96 1xf8 h ARG 145 Cb 1.21 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.13 1xf8 h ARG 145 CO 0.67 0.45 -0.26 -0.51 -1.07 0.00 0.00 179.97 179.24 1xf8 s LEU 146 N -6.38 4.09 -0.01 3.04 1.43 -1.26 -1.30 118.68 118.29 1xf8 s LEU 146 Ca 0.04 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.49 1xf8 s LEU 146 Cb 0.07 -2.41 -0.00 0.00 0.03 0.00 0.00 46.19 43.89 1xf8 s LEU 146 CO 0.75 -0.11 -0.05 0.20 0.23 0.00 0.00 176.35 177.36 1xf8 s ASN 147 N 1.37 0.65 -0.58 2.29 -0.87 -0.64 -1.89 114.94 115.27 1xf8 s ASN 147 Ca 0.15 -0.10 -0.22 0.00 -1.57 0.00 0.00 52.86 51.12 1xf8 s ASN 147 Cb -0.15 -0.11 0.06 0.00 -0.02 0.00 0.00 41.25 41.03 1xf8 s ASN 147 CO 0.09 0.05 0.87 -0.04 -2.57 0.00 0.00 177.10 175.50 1xf8 s MET 148 N 0.00 3.19 -0.15 -0.60 -1.94 -0.22 -0.74 119.30 118.85 1xf8 s MET 148 Ca 0.00 -0.65 -0.01 0.00 -1.71 0.00 0.00 55.69 53.33 1xf8 s MET 148 Cb -0.04 -4.14 -0.01 0.00 2.01 0.00 0.00 34.83 32.66 1xf8 s MET 148 CO -0.00 -1.56 -0.13 0.08 -0.01 0.00 0.00 175.02 173.41 1xf8 s VAL 149 N 3.66 2.96 -0.39 -6.03 1.01 -1.26 -1.37 120.40 118.98 1xf8 s VAL 149 Ca 0.23 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 1xf8 s VAL 149 Cb -0.16 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1xf8 s VAL 149 CO 0.14 0.51 0.47 -0.22 0.00 0.00 0.00 175.10 175.99 1xf8 s LEU 150 N 0.68 4.58 -0.77 3.92 2.96 -0.12 -4.91 118.68 125.01 1xf8 s LEU 150 Ca -0.06 -0.35 -0.22 0.00 -0.22 0.00 0.00 54.13 53.27 1xf8 s LEU 150 Cb -0.15 -2.47 0.07 0.00 0.50 0.00 0.00 46.19 44.14 1xf8 s LEU 150 CO 0.02 -0.52 1.10 -0.62 -1.32 0.00 0.00 176.35 175.01 1xf8 s ASP 151 N 1.80 6.31 0.58 3.68 -1.08 -1.26 -1.68 116.67 125.02 1xf8 s ASP 151 Ca 0.15 -1.19 0.38 0.00 -0.52 0.00 0.00 52.55 51.37 1xf8 s ASP 151 Cb -0.16 -2.45 1.82 0.00 -1.46 0.00 0.00 42.92 40.66 1xf8 s ASP 151 CO 0.14 -1.43 2.13 -0.07 0.52 0.00 0.00 175.17 176.46 1xf8 h LEU 152 N 11.57 0.00 0.00 -1.34 3.38 -1.50 -2.79 115.31 124.64 1xf8 h LEU 152 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1xf8 h LEU 152 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1xf8 h LEU 152 CO 1.21 0.00 0.00 0.35 0.09 0.00 0.00 178.44 180.09 1xf8 n THR 153 N -3.01 0.57 0.93 0.22 -2.24 -1.23 -1.40 114.28 108.12 1xf8 n THR 153 Ca -0.01 0.14 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 1xf8 n THR 153 Cb 0.19 -0.91 0.40 0.00 -2.10 0.00 0.00 70.33 67.90 1xf8 n THR 153 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xf8 n LYS 154 N -1.26 0.05 -3.29 -0.78 5.02 -1.05 -4.18 118.16 112.66 1xf8 n LYS 154 Ca 0.07 0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 56.13 1xf8 n LYS 154 Cb 0.11 -1.54 -0.07 0.00 -0.02 0.00 0.00 35.03 33.51 1xf8 n LYS 154 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xf8 n PHE 155 N -1.61 2.20 0.20 2.13 3.01 -0.50 -4.95 117.46 117.93 1xf8 n PHE 155 Ca 0.06 -3.93 0.15 0.00 1.01 0.00 0.00 57.45 54.74 1xf8 n PHE 155 Cb 0.35 -0.48 0.78 0.00 -0.01 0.00 0.00 39.48 40.12 1xf8 n PHE 155 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xf8 h PRO 156 N 3.96 0.00 -0.00 -1.08 0.13 -1.73 -2.12 132.00 131.17 1xf8 h PRO 156 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1xf8 h PRO 156 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1xf8 h PRO 156 CO 0.70 0.00 -0.56 -0.25 -0.23 0.00 0.00 178.00 177.65 1xf8 n ASP 157 N -4.07 0.58 -4.62 1.44 8.00 -1.26 -4.95 116.55 111.67 1xf8 n ASP 157 Ca 0.01 -0.37 -0.52 0.00 0.71 0.00 0.00 54.79 54.63 1xf8 n ASP 157 Cb 0.28 0.35 -0.06 0.00 -0.02 0.00 0.00 41.12 41.68 1xf8 n ASP 157 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xf8 n ALA 158 N -1.48 -0.60 -0.08 2.24 0.00 -0.80 -4.88 120.51 114.91 1xf8 n ALA 158 Ca 0.05 0.49 -0.10 0.00 0.00 0.00 0.00 53.44 53.89 1xf8 n ALA 158 Cb 0.33 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.57 1xf8 n ALA 158 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xf8 n LYS 159 N 3.06 0.96 -4.28 0.00 4.76 -1.26 -5.05 118.16 116.36 1xf8 n LYS 159 Ca 0.19 0.06 -0.15 0.00 -2.87 0.00 0.00 58.31 55.54 1xf8 n LYS 159 Cb 0.19 -1.34 -0.10 0.00 -1.84 0.00 0.00 35.03 31.95 1xf8 n LYS 159 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1xf8 s THR 160 N -2.33 0.75 0.23 -0.18 -4.23 -1.26 -4.87 115.64 103.76 1xf8 s THR 160 Ca -0.17 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.27 1xf8 s THR 160 Cb 0.05 -2.29 0.23 0.00 1.34 0.00 0.00 72.50 71.84 1xf8 s THR 160 CO 0.44 -0.34 1.67 0.74 -0.54 0.00 0.00 174.62 176.59 1xf8 h THR 161 N 2.57 0.46 -0.87 3.99 2.02 -1.90 -2.03 112.91 117.15 1xf8 h THR 161 Ca -0.37 -0.06 0.18 0.00 0.77 0.00 0.00 66.41 66.93 1xf8 h THR 161 Cb 1.22 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 67.84 1xf8 h THR 161 CO 0.63 0.03 0.57 -0.07 0.37 0.00 0.00 175.52 177.05 1xf8 h LEU 162 N 0.18 0.43 0.00 2.58 3.38 -1.96 -1.28 115.31 118.64 1xf8 h LEU 162 Ca 0.38 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1xf8 h LEU 162 Cb 0.66 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1xf8 h LEU 162 CO -0.55 0.19 0.00 0.47 0.09 0.00 0.00 178.44 178.63 1xf8 n ASP 163 N -4.51 0.00 0.01 -0.43 8.00 -0.76 -1.97 116.55 116.89 1xf8 n ASP 163 Ca 0.18 0.31 0.11 0.00 0.71 0.00 0.00 54.79 56.10 1xf8 n ASP 163 Cb 0.64 -0.36 0.10 0.00 -0.02 0.00 0.00 41.12 41.47 1xf8 n ASP 163 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xf8 n LEU 164 N -1.36 0.64 -4.41 0.64 4.77 -0.48 -4.92 117.00 111.88 1xf8 n LEU 164 Ca 0.02 -0.07 -0.21 0.00 -0.03 0.00 0.00 56.01 55.73 1xf8 n LEU 164 Cb 0.05 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 40.89 1xf8 n LEU 164 CO 0.05 0.10 -0.38 -0.31 -1.33 0.00 0.00 177.39 175.52 1xf8 s TYR 165 N -3.09 1.89 0.69 -1.77 1.51 -0.83 -5.10 117.35 110.65 1xf8 s TYR 165 Ca 0.07 -0.69 -0.13 0.00 -1.01 0.00 0.00 57.07 55.32 1xf8 s TYR 165 Cb 0.16 -1.05 0.01 0.00 -0.11 0.00 0.00 41.96 40.98 1xf8 s TYR 165 CO 0.77 0.28 1.08 -1.25 -1.11 0.00 0.00 175.55 175.31 1xf8 s PRO 166 N -3.72 2.75 0.35 -1.71 0.04 -1.26 -4.70 135.00 126.74 1xf8 s PRO 166 Ca 0.28 1.17 0.12 0.00 0.04 0.00 0.00 61.00 62.61 1xf8 s PRO 166 Cb 0.03 -1.96 0.93 0.00 0.04 0.00 0.00 34.50 33.54 1xf8 s PRO 166 CO 0.11 -1.27 1.76 0.77 0.04 0.00 0.00 177.00 178.42 1xf8 h SER 167 N -0.48 0.62 -1.01 6.66 0.02 -1.99 0.12 113.55 117.49 1xf8 h SER 167 Ca -0.45 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1xf8 h SER 167 Cb 1.23 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.72 1xf8 h SER 167 CO 0.54 0.15 0.67 0.50 -1.14 0.00 0.00 176.83 177.55 1xf8 h LYS 168 N 0.56 1.33 0.07 3.45 3.64 -2.01 -2.01 116.57 121.60 1xf8 h LYS 168 Ca 0.60 -0.08 -0.25 0.00 -1.27 0.00 0.00 60.65 59.66 1xf8 h LYS 168 Cb 1.23 -0.30 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1xf8 h LYS 168 CO -0.38 0.88 -1.10 1.15 -2.27 0.00 0.00 179.45 177.73 1xf8 h THR 169 N 1.37 1.51 -0.98 1.00 2.02 -1.39 -3.07 112.91 113.36 1xf8 h THR 169 Ca 0.37 -2.94 0.09 0.00 0.77 0.00 0.00 66.41 64.71 1xf8 h THR 169 Cb -0.16 2.77 -0.08 0.00 -1.74 0.00 0.00 68.15 68.95 1xf8 h THR 169 CO -0.08 0.86 0.62 0.11 0.37 0.00 0.00 175.52 177.40 1xf8 h LYS 170 N 0.09 1.03 -0.53 6.66 1.57 -0.73 -0.77 116.57 123.89 1xf8 h LYS 170 Ca -0.09 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1xf8 h LYS 170 Cb 1.80 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.86 1xf8 h LYS 170 CO 0.18 0.68 0.21 0.77 -0.57 0.00 0.00 179.45 180.71 1xf8 h SER 171 N 1.06 0.74 -0.78 0.86 0.02 -1.35 -1.03 113.55 113.07 1xf8 h SER 171 Ca 0.46 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.18 1xf8 h SER 171 Cb 0.32 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1xf8 h SER 171 CO -0.22 0.71 0.29 0.11 -1.14 0.00 0.00 176.83 176.58 1xf8 h LYS 172 N 0.72 1.18 -0.03 3.45 1.57 -1.17 -2.20 116.57 120.09 1xf8 h LYS 172 Ca 0.18 -0.23 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1xf8 h LYS 172 Cb 0.21 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1xf8 h LYS 172 CO -0.01 0.98 -0.64 0.82 -0.57 0.00 0.00 179.45 180.02 1xf8 h ILE 173 N 1.15 1.42 -0.18 1.86 2.04 -0.98 -3.21 117.51 119.60 1xf8 h ILE 173 Ca 0.26 -2.12 -0.17 0.00 1.00 0.00 0.00 64.86 63.83 1xf8 h ILE 173 Cb 0.25 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1xf8 h ILE 173 CO -0.02 0.62 -0.57 0.11 0.00 0.00 0.00 178.15 178.29 1xf8 h LYS 174 N 0.10 0.57 -0.89 2.37 1.57 -0.95 -3.37 116.57 115.98 1xf8 h LYS 174 Ca -0.01 -0.37 0.16 0.00 -1.87 0.00 0.00 60.65 58.56 1xf8 h LYS 174 Cb 1.15 0.05 -0.16 0.00 0.08 0.00 0.00 32.23 33.35 1xf8 h LYS 174 CO 0.09 0.98 -0.29 -0.09 -0.57 0.00 0.00 179.45 179.57 1xf8 h ARG 175 N 0.44 -0.02 -0.60 3.15 2.43 -1.40 -1.01 114.38 117.35 1xf8 h ARG 175 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1xf8 h ARG 175 Cb 1.12 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 1xf8 h ARG 175 CO 0.11 -0.02 0.35 -1.00 -1.51 0.00 0.00 179.97 177.91 1xf8 h PRO 176 N -0.02 0.83 -0.65 0.20 0.13 -1.75 -1.17 132.00 129.56 1xf8 h PRO 176 Ca 0.38 -0.08 -0.07 0.00 -0.87 0.00 0.00 66.00 65.36 1xf8 h PRO 176 Cb 0.63 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.56 1xf8 h PRO 176 CO -0.91 0.61 0.14 0.74 -0.23 0.00 0.00 178.00 178.34 1xf8 h PHE 177 N 0.82 1.08 -0.55 1.56 -1.00 -1.52 -0.71 116.94 116.62 1xf8 h PHE 177 Ca 0.22 -0.13 -0.04 0.00 2.81 0.00 0.00 57.97 60.83 1xf8 h PHE 177 Cb 0.00 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.23 1xf8 h PHE 177 CO -0.02 0.89 0.17 -0.09 -1.61 0.00 0.00 178.31 177.65 1xf8 h ARG 178 N 0.98 0.82 -0.26 1.51 2.43 -0.83 -2.05 114.38 116.97 1xf8 h ARG 178 Ca 0.20 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1xf8 h ARG 178 Cb 0.37 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1xf8 h ARG 178 CO 0.00 0.71 0.00 -0.25 -1.51 0.00 0.00 179.97 178.93 1xf8 n ASP 179 N -4.30 0.34 0.00 -3.80 8.00 -0.48 -4.85 116.55 111.46 1xf8 n ASP 179 Ca 0.04 -2.01 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1xf8 n ASP 179 Cb 0.20 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1xf8 n ASP 179 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xf8 n GLY 180 N 0.40 0.68 3.72 0.44 0.00 -0.77 -5.03 105.19 104.62 1xf8 n GLY 180 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1xf8 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xf8 s VAL 181 N -2.33 3.47 0.00 1.61 1.01 -0.34 -4.44 120.40 119.38 1xf8 s VAL 181 Ca 0.00 1.08 0.07 0.00 0.00 0.00 0.00 61.98 63.13 1xf8 s VAL 181 Cb 0.00 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1xf8 s VAL 181 CO 0.00 0.10 -0.20 -1.61 0.00 0.00 0.00 175.10 173.39 1xf8 s GLU 182 N 0.83 1.56 -0.09 2.72 2.02 0.84 -4.44 118.70 122.15 1xf8 s GLU 182 Ca 0.61 -0.80 0.03 0.00 0.02 0.00 0.00 54.97 54.84 1xf8 s GLU 182 Cb -0.35 -1.56 0.00 0.00 0.10 0.00 0.00 34.13 32.32 1xf8 s GLU 182 CO 0.32 0.42 -0.20 0.08 0.02 0.00 0.00 175.26 175.90 1xf8 s VAL 183 N -0.59 1.71 0.19 2.63 1.01 -1.26 -0.18 120.40 123.92 1xf8 s VAL 183 Ca 0.08 -0.82 0.11 0.00 0.00 0.00 0.00 61.98 61.35 1xf8 s VAL 183 Cb -0.08 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1xf8 s VAL 183 CO 0.00 0.48 -0.22 -1.38 0.00 0.00 0.00 175.10 173.98 1xf8 s HIS 184 N 0.44 2.19 0.11 5.22 -3.43 -0.55 -4.94 115.29 114.33 1xf8 s HIS 184 Ca -0.17 -0.38 -0.05 0.00 -0.80 0.00 0.00 55.06 53.66 1xf8 s HIS 184 Cb -0.17 -1.08 -0.02 0.00 -1.43 0.00 0.00 32.58 29.88 1xf8 s HIS 184 CO 0.07 0.48 0.14 -1.54 -2.00 0.00 0.00 174.74 171.88 1xf8 s SER 185 N -2.72 0.22 0.00 7.38 1.04 -1.26 -0.94 113.70 117.42 1xf8 s SER 185 Ca 0.20 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1xf8 s SER 185 Cb -0.07 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1xf8 s SER 185 CO 0.09 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1xf8 n GLY 186 N -0.07 -0.84 2.66 7.32 0.00 -0.90 -4.97 105.19 108.39 1xf8 n GLY 186 Ca -0.11 -1.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 1xf8 n GLY 186 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xf8 n ASN 187 N 0.89 2.06 -4.95 1.61 4.05 -1.26 0.22 115.26 117.88 1xf8 n ASN 187 Ca 0.00 -2.64 -0.23 0.00 0.45 0.00 0.00 54.58 52.16 1xf8 n ASN 187 Cb 0.00 -0.49 0.01 0.00 1.23 0.00 0.00 39.78 40.53 1xf8 n ASN 187 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1xf8 s SER 188 N -3.44 5.78 0.27 1.20 1.04 -1.26 -4.96 113.70 112.34 1xf8 s SER 188 Ca 0.31 0.32 -0.02 0.00 0.48 0.00 0.00 55.95 57.04 1xf8 s SER 188 Cb 0.40 -1.52 0.38 0.00 0.10 0.00 0.00 66.02 65.38 1xf8 s SER 188 CO -0.01 -0.76 1.83 0.00 0.98 0.00 0.00 173.24 175.28 1xf8 h ALA 189 N 0.32 1.20 -0.59 5.32 0.00 -1.99 -1.32 119.26 122.21 1xf8 h ALA 189 Ca -0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1xf8 h ALA 189 Cb 1.25 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1xf8 h ALA 189 CO 0.57 0.55 0.34 1.79 0.00 0.00 0.00 179.25 182.51 1xf8 h THR 190 N 0.85 1.18 -0.14 0.00 1.35 -1.99 -0.05 112.91 114.11 1xf8 h THR 190 Ca 0.19 -0.43 -0.08 0.00 -0.55 0.00 0.00 66.41 65.54 1xf8 h THR 190 Cb 0.27 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.08 1xf8 h THR 190 CO -0.01 0.19 -0.27 -0.33 -0.25 0.00 0.00 175.52 174.86 1xf8 h GLU 191 N 0.80 0.26 -0.30 4.72 5.08 -1.84 -0.93 114.58 122.37 1xf8 h GLU 191 Ca 0.21 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1xf8 h GLU 191 Cb 0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1xf8 h GLU 191 CO -0.04 0.52 -0.03 1.25 -1.00 0.00 0.00 179.01 179.71 1xf8 h LEU 192 N 0.23 0.53 -0.58 1.33 5.85 -0.50 0.43 115.31 122.60 1xf8 h LEU 192 Ca 0.04 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.45 1xf8 h LEU 192 Cb 0.61 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 1xf8 h LEU 192 CO 0.04 0.74 0.35 0.44 -0.34 0.00 0.00 178.44 179.67 1xf8 h ASP 193 N 0.32 0.56 -0.42 1.25 3.32 -0.67 0.30 116.42 121.08 1xf8 h ASP 193 Ca 0.08 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.16 1xf8 h ASP 193 Cb 0.48 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1xf8 h ASP 193 CO 0.02 0.39 0.23 -0.33 -1.72 0.00 0.00 179.24 177.83 1xf8 h GLU 194 N 0.69 0.44 -0.58 3.56 5.08 -0.85 -1.51 114.58 121.42 1xf8 h GLU 194 Ca 0.24 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1xf8 h GLU 194 Cb 0.04 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1xf8 h GLU 194 CO -0.11 0.29 0.29 0.35 -1.00 0.00 0.00 179.01 178.83 1xf8 h PHE 195 N 0.46 0.82 -0.70 4.33 3.57 -0.14 -3.09 116.94 122.18 1xf8 h PHE 195 Ca 0.18 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1xf8 h PHE 195 Cb 0.06 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.51 1xf8 h PHE 195 CO -0.09 0.62 0.35 0.35 -2.23 0.00 0.00 178.31 177.31 1xf8 h PHE 196 N 0.78 0.98 -0.56 0.41 3.57 0.38 0.70 116.94 123.20 1xf8 h PHE 196 Ca 0.20 -0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 1xf8 h PHE 196 Cb 0.10 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1xf8 h PHE 196 CO -0.00 0.70 -0.04 -0.22 -2.23 0.00 0.00 178.31 176.52 1xf8 h LYS 197 N 0.99 1.00 -0.07 1.11 3.64 -1.23 -1.37 116.57 120.64 1xf8 h LYS 197 Ca 0.25 -0.33 -0.23 0.00 -1.27 0.00 0.00 60.65 59.07 1xf8 h LYS 197 Cb 0.08 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1xf8 h LYS 197 CO -0.03 1.01 -0.88 1.79 -2.27 0.00 0.00 179.45 179.06 1xf8 h THR 198 N 0.91 1.32 0.03 1.00 1.35 -1.42 -2.03 112.91 114.07 1xf8 h THR 198 Ca 0.16 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 1xf8 h THR 198 Cb 0.59 2.21 -0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1xf8 h THR 198 CO 0.04 0.67 -0.03 0.22 -0.25 0.00 0.00 175.52 176.16 1xf8 h TYR 199 N 0.39 -0.08 -0.13 4.73 3.20 -0.75 0.21 116.97 124.54 1xf8 h TYR 199 Ca -0.08 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.63 1xf8 h TYR 199 Cb 1.51 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.80 1xf8 h TYR 199 CO 0.08 -0.05 -0.61 1.79 -1.64 0.00 0.00 178.16 177.73 1xf8 h THR 200 N -0.07 1.35 -0.41 1.81 1.35 -1.33 -1.80 112.91 113.81 1xf8 h THR 200 Ca 0.00 -1.93 -0.01 0.00 -0.55 0.00 0.00 66.41 63.92 1xf8 h THR 200 Cb 0.07 1.92 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 1xf8 h THR 200 CO -0.01 0.59 0.22 0.74 -0.25 0.00 0.00 175.52 176.81 1xf8 h THR 201 N 0.32 1.16 -0.92 6.82 2.02 -1.17 -0.02 112.91 121.12 1xf8 h THR 201 Ca -0.01 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1xf8 h THR 201 Cb 1.15 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 1xf8 h THR 201 CO 0.11 0.16 0.59 -0.03 0.37 0.00 0.00 175.52 176.72 1xf8 h MET 202 N 0.53 1.23 -0.16 6.66 -1.53 -0.88 -1.56 114.93 119.22 1xf8 h MET 202 Ca 0.14 -0.09 -0.01 0.00 -3.44 0.00 0.00 59.70 56.30 1xf8 h MET 202 Cb 0.07 -0.27 -0.01 0.00 -0.55 0.00 0.00 31.60 30.84 1xf8 h MET 202 CO -0.02 0.83 0.07 0.00 0.14 0.00 0.00 176.91 177.92 1xf8 h ALA 203 N 1.32 0.21 -0.68 0.39 0.00 -0.61 -2.58 119.26 117.31 1xf8 h ALA 203 Ca 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1xf8 h ALA 203 Cb -0.11 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1xf8 h ALA 203 CO -0.07 -0.21 0.44 1.49 0.00 0.00 0.00 179.25 180.91 1xf8 h GLU 204 N 0.11 0.90 0.00 0.00 4.81 -0.73 -0.87 114.58 118.80 1xf8 h GLU 204 Ca 0.05 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1xf8 h GLU 204 Cb 0.17 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1xf8 h GLU 204 CO -0.00 0.61 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.74 1xf8 h ARG 205 N 0.92 0.00 -0.34 1.92 2.43 -1.16 -1.34 114.38 116.81 1xf8 h ARG 205 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1xf8 h ARG 205 Cb -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1xf8 h ARG 205 CO -0.05 0.05 0.00 0.72 -1.51 0.00 0.00 179.97 179.18 1xf8 n HIS 206 N -4.34 0.44 -3.67 2.20 8.25 -0.78 -4.97 115.22 112.34 1xf8 n HIS 206 Ca -0.03 -0.22 -0.24 0.00 -0.26 0.00 0.00 57.72 56.97 1xf8 n HIS 206 Cb 0.14 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.31 1xf8 n HIS 206 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xf8 n GLY 207 N 1.48 -0.48 3.37 -1.41 0.00 -0.43 -5.00 105.19 102.72 1xf8 n GLY 207 Ca 0.19 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 1xf8 n GLY 207 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xf8 s ILE 208 N -3.36 1.77 0.95 -0.61 -4.36 -0.62 -5.03 121.20 109.94 1xf8 s ILE 208 Ca 0.46 -2.21 -0.15 0.00 -0.26 0.00 0.00 60.65 58.49 1xf8 s ILE 208 Cb -0.21 -2.14 0.17 0.00 1.25 0.00 0.00 42.46 41.52 1xf8 s ILE 208 CO 0.77 -0.52 1.21 -0.89 0.24 0.00 0.00 174.94 175.74 1xf8 s THR 209 N -2.95 1.94 0.02 8.37 2.01 -1.26 -4.38 115.64 119.39 1xf8 s THR 209 Ca 0.24 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.14 1xf8 s THR 209 Cb -0.00 -2.86 0.01 0.00 0.01 0.00 0.00 72.50 69.66 1xf8 s THR 209 CO 0.08 0.00 0.21 -1.38 -0.69 0.00 0.00 174.62 172.85 1xf8 s HIS 210 N -3.53 -0.01 0.43 4.92 -3.43 -1.26 -4.92 115.29 107.49 1xf8 s HIS 210 Ca 0.68 -0.11 -0.23 0.00 -0.80 0.00 0.00 55.06 54.60 1xf8 s HIS 210 Cb -0.09 0.00 -0.08 0.00 -1.43 0.00 0.00 32.58 30.98 1xf8 s HIS 210 CO 0.53 -0.39 1.09 1.03 -2.00 0.00 0.00 174.74 174.99 1xf8 s ARG 211 N -2.01 3.96 0.79 -0.38 0.52 -1.26 -5.01 118.95 115.55 1xf8 s ARG 211 Ca -0.09 1.58 -0.12 0.00 -0.52 0.00 0.00 55.73 56.58 1xf8 s ARG 211 Cb -0.04 -2.42 0.07 0.00 0.52 0.00 0.00 34.95 33.08 1xf8 s ARG 211 CO -0.01 -0.34 1.13 -1.25 0.02 0.00 0.00 175.30 174.85 1xf8 s PRO 212 N -2.68 1.98 0.40 3.54 0.04 -1.26 -4.93 135.00 132.09 1xf8 s PRO 212 Ca 0.61 1.40 0.10 0.00 0.04 0.00 0.00 61.00 63.16 1xf8 s PRO 212 Cb -0.23 -1.85 0.83 0.00 0.04 0.00 0.00 34.50 33.29 1xf8 s PRO 212 CO 0.29 -1.88 1.94 0.97 0.04 0.00 0.00 177.00 178.36 1xf8 h ILE 213 N -1.02 1.16 -0.27 0.56 2.10 -2.01 -2.41 117.51 115.63 1xf8 h ILE 213 Ca -0.45 -0.68 0.08 0.00 1.08 0.00 0.00 64.86 64.89 1xf8 h ILE 213 Cb 1.25 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 38.12 1xf8 h ILE 213 CO 0.49 0.21 0.23 -0.33 -1.08 0.00 0.00 178.15 177.67 1xf8 h GLU 214 N 0.22 0.00 -0.07 2.19 3.07 -1.99 -0.84 114.58 117.16 1xf8 h GLU 214 Ca 0.05 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1xf8 h GLU 214 Cb 0.31 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1xf8 h GLU 214 CO 0.02 0.00 0.03 -0.92 -1.40 0.00 0.00 179.01 176.74 1xf8 h TYR 215 N 0.00 0.10 0.00 4.33 3.20 -1.79 -1.44 116.97 121.37 1xf8 h TYR 215 Ca 0.13 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 1xf8 h TYR 215 Cb 0.59 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1xf8 h TYR 215 CO 0.00 0.20 -0.41 0.74 -1.64 0.00 0.00 178.16 177.05 1xf8 h PHE 216 N -0.03 0.00 -0.37 -3.82 -1.00 -1.34 -2.35 116.94 108.03 1xf8 h PHE 216 Ca 0.02 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.66 1xf8 h PHE 216 Cb 0.14 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 1xf8 h PHE 216 CO -0.03 0.41 -0.34 1.96 -1.61 0.00 0.00 178.31 178.70 1xf8 h GLN 217 N 0.00 0.88 -0.59 1.51 4.20 -0.98 0.15 115.11 120.28 1xf8 h GLN 217 Ca -0.00 -0.46 -0.07 0.00 0.06 0.00 0.00 58.65 58.18 1xf8 h GLN 217 Cb 0.95 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 1xf8 h GLN 217 CO 0.05 1.10 0.07 0.00 -0.67 0.00 0.00 178.83 179.39 1xf8 h ARG 218 N 0.68 0.97 -0.22 1.46 3.08 -1.15 -0.18 114.38 119.02 1xf8 h ARG 218 Ca 0.06 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1xf8 h ARG 218 Cb 0.93 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1xf8 h ARG 218 CO 0.09 0.91 0.09 1.98 -1.07 0.00 0.00 179.97 181.97 1xf8 h MET 219 N 0.91 0.32 -0.41 0.04 4.05 -1.12 -0.13 114.93 118.59 1xf8 h MET 219 Ca 0.18 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1xf8 h MET 219 Cb 0.43 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 1xf8 h MET 219 CO 0.01 0.37 0.24 1.96 0.23 0.00 0.00 176.91 179.73 1xf8 h GLN 220 N 0.20 0.55 -0.01 0.39 4.20 -0.26 -1.38 115.11 118.80 1xf8 h GLN 220 Ca 0.07 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 58.55 1xf8 h GLN 220 Cb 0.17 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1xf8 h GLN 220 CO -0.01 0.39 -0.84 0.00 -0.67 0.00 0.00 178.83 177.71 1xf8 h ALA 221 N 1.70 0.55 0.00 3.87 0.00 -0.66 -3.32 119.26 121.40 1xf8 h ALA 221 Ca 0.15 -0.70 -0.22 0.00 0.00 0.00 0.00 54.91 54.14 1xf8 h ALA 221 Cb -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xf8 h ALA 221 CO -0.03 0.88 -0.92 0.00 0.00 0.00 0.00 179.25 179.18 1xf8 h ALA 222 N 0.98 0.41 -4.20 0.00 0.00 -0.31 -3.45 119.26 112.68 1xf8 h ALA 222 Ca -0.04 -0.71 -0.68 0.00 0.00 0.00 0.00 54.91 53.48 1xf8 h ALA 222 Cb 1.45 -0.03 -0.31 0.00 0.00 0.00 0.00 17.79 18.90 1xf8 h ALA 222 CO 0.13 0.84 -0.88 -0.06 0.00 0.00 0.00 179.25 179.28 1xf8 s PHE 223 N -3.25 2.31 0.96 0.00 0.40 -0.59 -4.91 117.98 112.90 1xf8 s PHE 223 Ca -0.05 -0.60 -0.14 0.00 -0.60 0.00 0.00 56.93 55.54 1xf8 s PHE 223 Cb 0.09 -1.51 0.17 0.00 0.51 0.00 0.00 43.02 42.28 1xf8 s PHE 223 CO 0.86 -0.15 1.17 0.16 0.70 0.00 0.00 175.22 177.96 1xf8 s ASP 224 N -0.30 3.13 0.35 1.36 1.47 -1.26 -4.57 116.67 116.86 1xf8 s ASP 224 Ca 0.01 0.76 0.24 0.00 1.18 0.00 0.00 52.55 54.74 1xf8 s ASP 224 Cb -0.12 -1.17 1.29 0.00 -0.34 0.00 0.00 42.92 42.57 1xf8 s ASP 224 CO 0.02 -2.77 1.74 0.00 0.68 0.00 0.00 175.17 174.84 1xf8 h ALA 225 N -1.65 1.00 0.00 2.11 0.00 -1.93 0.11 119.26 118.90 1xf8 h ALA 225 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xf8 h ALA 225 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1xf8 h ALA 225 CO 0.53 0.00 -0.41 -0.25 0.00 0.00 0.00 179.25 179.12 1xf8 n ASP 226 N -2.35 0.42 -0.08 0.00 8.00 -1.26 -4.31 116.55 116.97 1xf8 n ASP 226 Ca -0.01 -0.11 -0.16 0.00 0.71 0.00 0.00 54.79 55.22 1xf8 n ASP 226 Cb 0.06 0.11 -0.05 0.00 -0.02 0.00 0.00 41.12 41.22 1xf8 n ASP 226 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1xf8 n THR 227 N -1.51 0.95 -4.20 -3.53 -1.04 0.14 -4.72 114.28 100.36 1xf8 n THR 227 Ca 0.06 -0.17 -0.34 0.00 -2.04 0.00 0.00 64.05 61.55 1xf8 n THR 227 Cb 0.34 -1.76 -0.11 0.00 -1.82 0.00 0.00 70.33 66.98 1xf8 n THR 227 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1xf8 s MET 228 N -2.32 3.80 -0.03 -2.82 -2.45 0.15 -0.21 119.30 115.42 1xf8 s MET 228 Ca -0.22 -0.44 -0.01 0.00 -1.25 0.00 0.00 55.69 53.76 1xf8 s MET 228 Cb 0.08 -3.06 0.02 0.00 1.25 0.00 0.00 34.83 33.12 1xf8 s MET 228 CO 0.28 0.24 0.07 0.50 1.05 0.00 0.00 175.02 177.15 1xf8 s ARG 229 N 0.42 0.03 -0.19 4.11 3.52 -0.78 -4.25 118.95 121.82 1xf8 s ARG 229 Ca -0.01 0.18 -0.06 0.00 -0.13 0.00 0.00 55.73 55.72 1xf8 s ARG 229 Cb -0.13 -0.12 -0.03 0.00 -1.56 0.00 0.00 34.95 33.10 1xf8 s ARG 229 CO 0.02 -0.10 0.03 0.42 -0.81 0.00 0.00 175.30 174.86 1xf8 s ILE 230 N 0.68 4.41 -0.18 4.11 1.01 0.13 -2.01 121.20 129.35 1xf8 s ILE 230 Ca -0.05 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 1xf8 s ILE 230 Cb -0.08 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 1xf8 s ILE 230 CO -0.02 0.45 0.02 -0.36 0.00 0.00 0.00 174.94 175.02 1xf8 s PHE 231 N 0.61 3.12 -0.15 3.97 0.40 -0.20 -2.11 117.98 123.63 1xf8 s PHE 231 Ca 0.01 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1xf8 s PHE 231 Cb -0.13 -2.05 0.02 0.00 0.51 0.00 0.00 43.02 41.37 1xf8 s PHE 231 CO 0.02 -0.01 -0.17 0.08 0.70 0.00 0.00 175.22 175.83 1xf8 s VAL 232 N 0.56 1.75 -0.20 -0.44 1.01 -0.12 -1.33 120.40 121.63 1xf8 s VAL 232 Ca 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 1xf8 s VAL 232 Cb -0.14 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1xf8 s VAL 232 CO 0.02 0.49 0.12 0.00 0.00 0.00 0.00 175.10 175.73 1xf8 s ALA 233 N 1.22 3.61 0.09 5.51 0.00 0.34 -1.49 121.76 131.05 1xf8 s ALA 233 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1xf8 s ALA 233 Cb -0.14 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1xf8 s ALA 233 CO -0.08 0.12 -0.06 -1.21 0.00 0.00 0.00 175.76 174.53 1xf8 s GLU 234 N 0.45 0.80 -0.11 0.00 2.02 0.75 -1.36 118.70 121.24 1xf8 s GLU 234 Ca 0.07 -1.30 -0.03 0.00 0.02 0.00 0.00 54.97 53.73 1xf8 s GLU 234 Cb -0.12 -0.16 0.04 0.00 0.10 0.00 0.00 34.13 34.00 1xf8 s GLU 234 CO -0.01 -0.03 0.05 0.50 0.02 0.00 0.00 175.26 175.80 1xf8 s ARG 235 N -3.77 0.25 -1.35 1.61 3.52 -0.34 -0.11 118.95 118.76 1xf8 s ARG 235 Ca 0.10 0.04 -0.19 0.00 -0.13 0.00 0.00 55.73 55.55 1xf8 s ARG 235 Cb 0.05 -1.30 0.02 0.00 -1.56 0.00 0.00 34.95 32.17 1xf8 s ARG 235 CO -0.05 -0.48 0.41 0.39 -0.81 0.00 0.00 175.30 174.76 1xf8 n GLU 236 N 5.21 -0.71 0.00 5.12 1.02 -1.26 -1.36 120.64 128.66 1xf8 n GLU 236 Ca -0.06 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1xf8 n GLU 236 Cb 0.49 -3.09 0.00 0.00 -0.02 0.00 0.00 31.44 28.82 1xf8 n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xf8 n GLY 237 N -2.26 2.99 3.83 0.62 0.00 -1.26 -5.04 105.19 104.07 1xf8 n GLY 237 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1xf8 n GLY 237 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xf8 s LYS 238 N -0.56 3.76 -0.09 1.61 1.02 -0.47 -5.06 119.74 119.94 1xf8 s LYS 238 Ca 0.00 0.04 -0.29 0.00 0.02 0.00 0.00 55.97 55.74 1xf8 s LYS 238 Cb 0.00 -3.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 1xf8 s LYS 238 CO 0.00 0.63 0.99 -1.17 -0.92 0.00 0.00 175.35 174.89 1xf8 s LEU 239 N -0.70 4.26 -0.05 3.17 2.96 -1.26 -1.20 118.68 125.86 1xf8 s LEU 239 Ca 0.17 1.54 -0.09 0.00 -0.22 0.00 0.00 54.13 55.52 1xf8 s LEU 239 Cb -0.13 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1xf8 s LEU 239 CO 0.06 -0.41 -0.18 0.18 -1.32 0.00 0.00 176.35 174.67 1xf8 n LEU 240 N 4.84 1.52 -3.81 -0.68 4.77 -0.46 -4.75 117.00 118.41 1xf8 n LEU 240 Ca 0.08 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 1xf8 n LEU 240 Cb 0.49 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.98 1xf8 n LEU 240 CO 0.52 -0.47 0.06 -0.94 -1.33 0.00 0.00 177.39 175.24 1xf8 s SER 241 N -5.97 -0.07 0.22 -1.43 1.04 -1.17 -1.05 113.70 105.28 1xf8 s SER 241 Ca -0.15 -0.61 -0.08 0.00 0.48 0.00 0.00 55.95 55.59 1xf8 s SER 241 Cb 0.02 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 1xf8 s SER 241 CO 0.22 -0.88 0.33 0.42 0.98 0.00 0.00 173.24 174.32 1xf8 s THR 242 N -3.88 0.01 -0.03 2.02 -4.23 0.22 -0.51 115.64 109.23 1xf8 s THR 242 Ca 0.09 -1.62 -0.30 0.00 -1.18 0.00 0.00 61.69 58.68 1xf8 s THR 242 Cb 0.02 -2.27 0.07 0.00 1.34 0.00 0.00 72.50 71.66 1xf8 s THR 242 CO -0.06 -0.03 0.67 -0.83 -0.54 0.00 0.00 174.62 173.82 1xf8 s GLY 243 N -3.06 -0.58 -0.11 3.99 0.00 -0.44 -1.44 107.32 105.68 1xf8 s GLY 243 Ca 0.28 1.24 0.03 0.00 0.00 0.00 0.00 44.72 46.26 1xf8 s GLY 243 CO 0.09 0.88 -0.21 -0.42 0.00 0.00 0.00 173.10 173.44 1xf8 s ILE 244 N -1.41 2.31 0.01 0.90 1.01 0.13 -1.03 121.20 123.12 1xf8 s ILE 244 Ca -0.10 -0.93 0.05 0.00 0.00 0.00 0.00 60.65 59.66 1xf8 s ILE 244 Cb -0.00 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 1xf8 s ILE 244 CO 0.08 0.55 -0.14 0.00 0.00 0.00 0.00 174.94 175.43 1xf8 s ALA 245 N 0.33 1.17 -0.12 9.38 0.00 -0.85 -0.88 121.76 130.78 1xf8 s ALA 245 Ca -0.17 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1xf8 s ALA 245 Cb -0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1xf8 s ALA 245 CO 0.08 0.26 -0.17 -0.51 0.00 0.00 0.00 175.76 175.42 1xf8 s LEU 246 N -0.68 2.47 -0.26 0.00 2.01 -0.05 -1.86 118.68 120.32 1xf8 s LEU 246 Ca 0.04 -0.43 -0.10 0.00 0.01 0.00 0.00 54.13 53.66 1xf8 s LEU 246 Cb -0.06 -1.54 -0.04 0.00 0.01 0.00 0.00 46.19 44.56 1xf8 s LEU 246 CO 0.00 0.15 0.14 -0.75 1.01 0.00 0.00 176.35 176.91 1xf8 s LYS 247 N 0.41 3.89 -0.24 1.70 2.20 0.71 0.17 119.74 128.58 1xf8 s LYS 247 Ca -0.13 -0.36 -0.24 0.00 -0.36 0.00 0.00 55.97 54.88 1xf8 s LYS 247 Cb -0.17 -3.51 0.07 0.00 -1.51 0.00 0.00 37.83 32.72 1xf8 s LYS 247 CO 0.06 -0.10 0.69 -0.47 -0.36 0.00 0.00 175.35 175.17 1xf8 s TYR 248 N 1.47 -0.75 0.00 4.03 5.04 -0.75 -4.62 117.35 121.78 1xf8 s TYR 248 Ca 0.07 1.79 0.00 0.00 -2.44 0.00 0.00 57.07 56.49 1xf8 s TYR 248 Cb -0.15 0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.43 1xf8 s TYR 248 CO 0.07 -0.38 0.00 0.41 -1.34 0.00 0.00 175.55 174.31 1xf8 n GLY 249 N 2.59 3.21 0.90 8.97 0.00 -1.26 -2.23 105.19 117.37 1xf8 n GLY 249 Ca -0.14 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.75 1xf8 n GLY 249 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xf8 n ARG 250 N 14.00 2.31 -3.56 1.61 1.74 -1.26 -4.93 116.66 126.57 1xf8 n ARG 250 Ca 0.00 -1.27 -0.11 0.00 -0.77 0.00 0.00 57.85 55.70 1xf8 n ARG 250 Cb 0.00 -1.61 -0.04 0.00 -1.02 0.00 0.00 32.46 29.80 1xf8 n ARG 250 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1xf8 s LYS 251 N -1.69 1.13 -0.16 5.56 -2.85 -0.95 -1.09 119.74 119.69 1xf8 s LYS 251 Ca 0.23 -0.58 -0.04 0.00 -1.00 0.00 0.00 55.97 54.58 1xf8 s LYS 251 Cb 0.15 0.51 -0.03 0.00 -2.06 0.00 0.00 37.83 36.40 1xf8 s LYS 251 CO 0.10 -0.46 -0.03 0.42 0.10 0.00 0.00 175.35 175.49 1xf8 s ILE 252 N -3.62 3.99 -0.19 3.79 1.01 -0.01 -1.81 121.20 124.36 1xf8 s ILE 252 Ca 0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 1xf8 s ILE 252 Cb 0.01 -2.76 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 1xf8 s ILE 252 CO -0.11 0.49 -0.10 0.86 0.00 0.00 0.00 174.94 176.08 1xf8 s TRP 253 N 0.38 2.88 -0.61 3.97 -0.00 0.13 -0.86 118.94 124.82 1xf8 s TRP 253 Ca -0.03 -1.04 -0.28 0.00 -0.00 0.00 0.00 56.10 54.76 1xf8 s TRP 253 Cb -0.14 -2.00 0.03 0.00 -0.00 0.00 0.00 33.47 31.36 1xf8 s TRP 253 CO 0.03 -0.53 1.19 0.12 -0.00 0.00 0.00 176.95 177.76 1xf8 s PHE 254 N 1.17 2.55 -0.22 5.86 5.36 -0.07 -0.87 117.98 131.76 1xf8 s PHE 254 Ca 0.02 0.29 0.08 0.00 -0.96 0.00 0.00 56.93 56.35 1xf8 s PHE 254 Cb -0.14 -4.51 -0.19 0.00 -0.34 0.00 0.00 43.02 37.84 1xf8 s PHE 254 CO -0.03 -1.67 -0.11 -1.33 -1.46 0.00 0.00 175.22 170.62 1xf8 n MET 255 N 8.56 0.73 -4.01 10.12 2.81 -0.06 -4.35 117.12 130.92 1xf8 n MET 255 Ca 0.07 0.08 -0.10 0.00 -1.81 0.00 0.00 57.70 55.94 1xf8 n MET 255 Cb 0.49 -1.48 -0.11 0.00 -0.71 0.00 0.00 33.22 31.41 1xf8 n MET 255 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1xf8 s TYR 256 N -2.47 0.39 0.08 2.03 1.51 -1.08 -4.97 117.35 112.83 1xf8 s TYR 256 Ca -0.24 -0.55 -0.03 0.00 -1.01 0.00 0.00 57.07 55.24 1xf8 s TYR 256 Cb 0.07 -0.26 -0.03 0.00 -0.11 0.00 0.00 41.96 41.63 1xf8 s TYR 256 CO 0.64 -0.17 0.04 0.00 -1.11 0.00 0.00 175.55 174.95 1xf8 s ALA 257 N -1.59 0.43 -0.03 3.71 0.00 -1.26 0.17 121.76 123.18 1xf8 s ALA 257 Ca -0.13 -1.14 -0.21 0.00 0.00 0.00 0.00 51.96 50.48 1xf8 s ALA 257 Cb -0.09 0.45 0.04 0.00 0.00 0.00 0.00 23.12 23.52 1xf8 s ALA 257 CO -0.01 -0.43 0.45 0.20 0.00 0.00 0.00 175.76 175.97 1xf8 s GLY 258 N -2.94 -0.32 -0.22 0.00 0.00 -0.52 -4.61 107.32 98.72 1xf8 s GLY 258 Ca 0.10 0.71 -0.15 0.00 0.00 0.00 0.00 44.72 45.39 1xf8 s GLY 258 CO -0.07 0.44 0.54 -1.35 0.00 0.00 0.00 173.10 172.66 1xf8 s SER 259 N -1.28 -0.66 1.19 1.64 1.04 -1.15 -0.61 113.70 113.86 1xf8 s SER 259 Ca -0.13 1.16 -0.18 0.00 0.48 0.00 0.00 55.95 57.28 1xf8 s SER 259 Cb -0.03 1.08 0.28 0.00 0.10 0.00 0.00 66.02 67.45 1xf8 s SER 259 CO 0.06 -0.21 1.08 -0.04 0.98 0.00 0.00 173.24 175.12 1xf8 s MET 260 N 1.06 -1.09 0.49 4.02 -1.94 -0.21 -3.76 119.30 117.87 1xf8 s MET 260 Ca -0.06 0.13 -0.05 0.00 -1.71 0.00 0.00 55.69 53.99 1xf8 s MET 260 Cb -0.06 -1.59 -0.03 0.00 2.01 0.00 0.00 34.83 35.16 1xf8 s MET 260 CO -0.10 -3.66 0.80 -0.51 -0.01 0.00 0.00 175.02 171.54 1xf8 s ASP 261 N -3.63 6.19 0.00 3.03 -0.00 -1.26 -4.92 116.67 116.08 1xf8 s ASP 261 Ca 0.69 0.90 0.00 0.00 -0.00 0.00 0.00 52.55 54.14 1xf8 s ASP 261 Cb -0.13 -2.18 0.00 0.00 -0.00 0.00 0.00 42.92 40.61 1xf8 s ASP 261 CO 0.57 -0.63 0.00 0.61 -0.00 0.00 0.00 175.17 175.72 1xf8 n GLY 262 N -2.29 -0.54 3.62 0.21 0.00 -1.26 -4.81 105.19 100.12 1xf8 n GLY 262 Ca 0.01 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 1xf8 n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xf8 s ASN 263 N -4.00 6.30 0.00 1.61 0.01 -1.26 -4.86 114.94 112.73 1xf8 s ASN 263 Ca 0.00 1.38 0.10 0.00 -0.71 0.00 0.00 52.86 53.63 1xf8 s ASN 263 Cb 0.00 -2.53 0.22 0.00 0.41 0.00 0.00 41.25 39.34 1xf8 s ASN 263 CO 0.00 -1.37 1.10 0.35 -1.51 0.00 0.00 177.10 175.67 1xf8 n THR 264 N 6.72 0.63 -3.65 1.60 -2.24 -1.26 -5.00 114.28 111.08 1xf8 n THR 264 Ca 0.19 -0.82 -0.27 0.00 -2.27 0.00 0.00 64.05 60.88 1xf8 n THR 264 Cb 0.46 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.43 1xf8 n THR 264 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1xf8 n TYR 265 N 0.52 -1.69 -2.16 4.78 4.02 -1.26 -0.60 117.16 120.77 1xf8 n TYR 265 Ca 0.09 0.52 -0.21 0.00 -0.01 0.00 0.00 57.90 58.29 1xf8 n TYR 265 Cb 0.36 -2.51 -0.03 0.00 -0.02 0.00 0.00 39.34 37.14 1xf8 n TYR 265 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1xf8 n TYR 266 N -3.88 -0.70 -0.19 -0.72 4.02 -1.26 -4.33 117.16 110.11 1xf8 n TYR 266 Ca 0.03 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.07 1xf8 n TYR 266 Cb 0.51 -3.85 0.48 0.00 -0.02 0.00 0.00 39.34 36.46 1xf8 n TYR 266 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xf8 h ALA 267 N 0.70 2.06 -0.44 -0.72 0.00 -1.24 -1.76 119.26 117.85 1xf8 h ALA 267 Ca -0.48 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.55 1xf8 h ALA 267 Cb 1.37 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1xf8 h ALA 267 CO 0.60 -0.27 0.31 -1.35 0.00 0.00 0.00 179.25 178.54 1xf8 h PRO 268 N 0.47 0.07 -0.15 0.00 0.11 -1.90 0.29 132.00 130.89 1xf8 h PRO 268 Ca 0.39 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.29 1xf8 h PRO 268 Cb 0.84 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1xf8 h PRO 268 CO -0.14 0.05 -0.72 1.88 -0.21 0.00 0.00 178.00 178.85 1xf8 h TYR 269 N 0.07 0.91 -0.78 0.65 0.05 -1.71 -2.36 116.97 113.80 1xf8 h TYR 269 Ca 0.21 -0.39 -0.04 0.00 0.05 0.00 0.00 58.73 58.56 1xf8 h TYR 269 Cb 0.74 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.30 1xf8 h TYR 269 CO -0.00 1.19 0.34 0.00 -1.05 0.00 0.00 178.16 178.64 1xf8 h ALA 270 N 0.71 1.01 -0.14 3.88 0.00 -1.01 0.14 119.26 123.84 1xf8 h ALA 270 Ca -0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1xf8 h ALA 270 Cb 1.33 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1xf8 h ALA 270 CO 0.14 0.61 0.08 0.28 0.00 0.00 0.00 179.25 180.35 1xf8 h VAL 271 N 1.11 1.10 -0.56 0.00 2.07 -1.12 -2.14 116.25 116.70 1xf8 h VAL 271 Ca 0.26 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1xf8 h VAL 271 Cb 0.18 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1xf8 h VAL 271 CO -0.03 0.09 0.34 1.56 0.02 0.00 0.00 177.57 179.56 1xf8 h GLN 272 N 0.13 0.66 -0.95 1.57 1.08 -1.02 -1.94 115.11 114.64 1xf8 h GLN 272 Ca 0.05 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 1xf8 h GLN 272 Cb 0.08 -0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 27.30 1xf8 h GLN 272 CO -0.01 0.44 0.62 1.03 -0.95 0.00 0.00 178.83 179.96 1xf8 h SER 273 N 0.68 0.98 0.75 1.46 0.87 -0.71 -0.80 113.55 116.79 1xf8 h SER 273 Ca 0.22 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.61 1xf8 h SER 273 Cb 0.01 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1xf8 h SER 273 CO -0.09 0.64 -0.81 -0.33 -0.53 0.00 0.00 176.83 175.72 1xf8 h GLU 274 N 1.12 0.04 -0.35 2.24 4.39 -0.95 -1.37 114.58 119.70 1xf8 h GLU 274 Ca 0.40 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.91 1xf8 h GLU 274 Cb 0.14 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1xf8 h GLU 274 CO -0.15 0.82 -0.37 0.52 -1.16 0.00 0.00 179.01 178.68 1xf8 h MET 275 N 0.02 0.82 -0.47 2.33 2.86 -0.78 -1.27 114.93 118.44 1xf8 h MET 275 Ca -0.01 -0.41 -0.11 0.00 -2.06 0.00 0.00 59.70 57.11 1xf8 h MET 275 Cb 1.42 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.07 1xf8 h MET 275 CO 0.11 1.05 -0.13 0.82 1.06 0.00 0.00 176.91 179.82 1xf8 h ILE 276 N 0.68 1.26 -0.55 -1.22 2.04 -1.07 -2.30 117.51 116.35 1xf8 h ILE 276 Ca 0.06 -1.24 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 1xf8 h ILE 276 Cb 0.93 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1xf8 h ILE 276 CO 0.09 0.43 0.21 -0.61 0.00 0.00 0.00 178.15 178.27 1xf8 h GLN 277 N 0.78 0.79 -0.70 2.37 5.75 -0.96 -0.85 115.11 122.30 1xf8 h GLN 277 Ca 0.12 -0.12 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 1xf8 h GLN 277 Cb 0.65 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 1xf8 h GLN 277 CO 0.05 0.65 0.16 2.35 -2.65 0.00 0.00 178.83 179.39 1xf8 h TRP 278 N 0.78 1.18 -0.52 3.99 7.01 -0.84 0.17 115.95 127.73 1xf8 h TRP 278 Ca 0.19 -0.14 -0.04 0.00 2.11 0.00 0.00 58.89 61.00 1xf8 h TRP 278 Cb 0.16 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 26.87 1xf8 h TRP 278 CO 0.01 0.96 0.17 0.00 -2.79 0.00 0.00 178.44 176.80 1xf8 h ALA 279 N 1.10 0.68 0.00 2.65 0.00 -0.81 -1.79 119.26 121.09 1xf8 h ALA 279 Ca 0.22 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xf8 h ALA 279 Cb 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xf8 h ALA 279 CO 0.00 0.32 -0.00 -0.07 0.00 0.00 0.00 179.25 179.51 1xf8 h LEU 280 N 0.70 -0.00 -2.04 0.00 3.38 -0.80 0.03 115.31 116.58 1xf8 h LEU 280 Ca 0.17 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1xf8 h LEU 280 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1xf8 h LEU 280 CO -0.01 0.20 0.10 0.44 0.09 0.00 0.00 178.44 179.27 1xf8 h ASP 281 N -0.21 0.00 -0.63 -0.43 3.32 -0.53 -1.34 116.42 116.61 1xf8 h ASP 281 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xf8 h ASP 281 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1xf8 h ASP 281 CO 0.00 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.87 1xf8 n THR 282 N -4.41 0.85 -3.53 0.35 -2.24 -0.69 -4.96 114.28 99.65 1xf8 n THR 282 Ca 0.00 -0.93 -0.25 0.00 -2.27 0.00 0.00 64.05 60.60 1xf8 n THR 282 Cb 0.22 0.65 0.05 0.00 -2.10 0.00 0.00 70.33 69.15 1xf8 n THR 282 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xf8 n ASN 283 N 1.59 -5.76 -4.74 3.42 3.02 -0.50 -4.96 115.26 107.32 1xf8 n ASN 283 Ca 0.23 -0.53 -0.41 0.00 -0.03 0.00 0.00 54.58 53.84 1xf8 n ASN 283 Cb 0.61 -4.59 -0.05 0.00 -0.61 0.00 0.00 39.78 35.15 1xf8 n ASN 283 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xf8 s THR 284 N -3.25 4.26 0.20 3.41 2.01 -0.07 -4.98 115.64 117.22 1xf8 s THR 284 Ca 0.53 2.05 -0.08 0.00 0.31 0.00 0.00 61.69 64.51 1xf8 s THR 284 Cb -0.25 -4.31 0.09 0.00 0.01 0.00 0.00 72.50 68.05 1xf8 s THR 284 CO 0.66 0.40 1.69 0.44 -0.69 0.00 0.00 174.62 177.11 1xf8 h ASP 285 N 4.89 1.02 -4.48 3.53 3.32 -1.88 -3.44 116.42 119.39 1xf8 h ASP 285 Ca -0.44 -0.26 -0.35 0.00 0.02 0.00 0.00 57.03 56.00 1xf8 h ASP 285 Cb 1.21 -0.27 -0.23 0.00 0.22 0.00 0.00 39.33 40.25 1xf8 h ASP 285 CO 0.70 1.04 -0.76 -0.76 -1.72 0.00 0.00 179.24 177.74 1xf8 s LEU 286 N -9.38 2.20 -0.27 1.55 1.43 -0.25 -1.34 118.68 112.63 1xf8 s LEU 286 Ca -0.11 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1xf8 s LEU 286 Cb 0.14 -0.35 0.07 0.00 0.03 0.00 0.00 46.19 46.08 1xf8 s LEU 286 CO 0.85 -0.08 -0.07 -0.47 0.23 0.00 0.00 176.35 176.80 1xf8 s TYR 287 N -1.05 3.15 -0.43 0.29 5.04 -0.68 -0.83 117.35 122.84 1xf8 s TYR 287 Ca -0.04 -2.31 -0.19 0.00 -2.44 0.00 0.00 57.07 52.09 1xf8 s TYR 287 Cb -0.08 -2.00 0.02 0.00 0.35 0.00 0.00 41.96 40.25 1xf8 s TYR 287 CO 0.01 -0.87 0.53 0.34 -1.34 0.00 0.00 175.55 174.22 1xf8 s ASP 288 N 1.14 6.25 0.00 4.32 3.68 -0.04 -0.95 116.67 131.07 1xf8 s ASP 288 Ca -0.05 -0.54 0.26 0.00 2.13 0.00 0.00 52.55 54.36 1xf8 s ASP 288 Cb -0.20 -2.27 1.34 0.00 -1.45 0.00 0.00 42.92 40.35 1xf8 s ASP 288 CO -0.06 -0.68 1.89 0.18 0.13 0.00 0.00 175.17 176.64 1xf8 n LEU 289 N 5.90 0.63 0.00 -1.34 4.32 -0.47 -0.89 117.00 125.15 1xf8 n LEU 289 Ca -0.05 -0.23 0.00 0.00 -0.02 0.00 0.00 56.01 55.71 1xf8 n LEU 289 Cb 0.48 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1xf8 n LEU 289 CO 0.50 0.11 0.00 0.61 -1.22 0.00 0.00 177.39 177.39 1xf8 n GLY 290 N 1.02 -1.98 3.96 -0.72 0.00 -1.25 -4.83 105.19 101.38 1xf8 n GLY 290 Ca 0.19 -2.02 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 1xf8 n GLY 290 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xf8 s GLY 291 N -0.08 1.70 0.05 -0.02 0.00 -1.26 -1.06 107.32 106.66 1xf8 s GLY 291 Ca 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 43.61 1xf8 s GLY 291 CO 0.00 -0.87 -0.06 -0.26 0.00 0.00 0.00 173.10 171.91 1xf8 s ILE 292 N -2.76 0.49 -0.34 0.90 -4.36 -0.79 -4.88 121.20 109.47 1xf8 s ILE 292 Ca 0.54 -1.33 0.23 0.00 -0.26 0.00 0.00 60.65 59.83 1xf8 s ILE 292 Cb -0.10 -0.91 -0.09 0.00 1.25 0.00 0.00 42.46 42.61 1xf8 s ILE 292 CO 0.40 -0.57 0.96 -0.62 0.24 0.00 0.00 174.94 175.34 1xf8 n GLU 293 N 0.99 0.50 -3.64 0.37 -0.58 -1.26 -4.49 120.64 112.53 1xf8 n GLU 293 Ca -0.20 0.03 -0.05 0.00 -0.42 0.00 0.00 57.16 56.52 1xf8 n GLU 293 Cb 0.57 -1.69 -0.07 0.00 -0.57 0.00 0.00 31.44 29.68 1xf8 n GLU 293 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1xf8 s SER 294 N -4.71 -0.67 -1.20 1.62 1.04 -1.26 -5.05 113.70 103.48 1xf8 s SER 294 Ca -0.00 1.10 -0.12 0.00 0.48 0.00 0.00 55.95 57.40 1xf8 s SER 294 Cb 0.12 1.25 -0.06 0.00 0.10 0.00 0.00 66.02 67.43 1xf8 s SER 294 CO 0.81 -0.18 2.32 1.21 0.98 0.00 0.00 173.24 178.38 1xf8 n GLU 295 N 3.74 2.56 -4.10 4.02 2.13 -1.26 -4.72 120.64 123.00 1xf8 n GLU 295 Ca -0.18 -2.01 -0.13 0.00 0.66 0.00 0.00 57.16 55.50 1xf8 n GLU 295 Cb 0.58 -2.84 -0.11 0.00 0.27 0.00 0.00 31.44 29.33 1xf8 n GLU 295 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1xf8 s SER 296 N 3.39 1.06 0.00 4.31 0.15 -1.26 -5.02 113.70 116.33 1xf8 s SER 296 Ca 0.53 -0.66 0.20 0.00 0.70 0.00 0.00 55.95 56.72 1xf8 s SER 296 Cb 0.14 0.03 1.20 0.00 -1.71 0.00 0.00 66.02 65.69 1xf8 s SER 296 CO -0.02 -0.24 1.61 0.35 1.20 0.00 0.00 173.24 176.14 1xf8 n THR 297 N 1.09 0.04 1.25 6.45 -2.24 -1.26 -1.68 114.28 117.94 1xf8 n THR 297 Ca -0.20 0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.72 1xf8 n THR 297 Cb 0.56 -0.69 0.40 0.00 -2.10 0.00 0.00 70.33 68.50 1xf8 n THR 297 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xf8 n ASP 298 N -1.03 0.96 -4.42 3.42 8.00 -1.26 -4.75 116.55 117.48 1xf8 n ASP 298 Ca 0.15 -0.85 -0.38 0.00 0.71 0.00 0.00 54.79 54.43 1xf8 n ASP 298 Cb 0.08 0.11 -0.12 0.00 -0.02 0.00 0.00 41.12 41.17 1xf8 n ASP 298 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xf8 s ASP 299 N -2.51 5.34 0.49 -2.24 -1.08 -0.67 -4.97 116.67 111.02 1xf8 s ASP 299 Ca 0.24 -0.49 0.24 0.00 -0.52 0.00 0.00 52.55 52.02 1xf8 s ASP 299 Cb 0.19 -1.95 1.25 0.00 -1.46 0.00 0.00 42.92 40.95 1xf8 s ASP 299 CO 0.52 -0.15 2.00 0.77 0.52 0.00 0.00 175.17 178.82 1xf8 h SER 300 N 8.29 0.00 -0.08 -0.34 4.64 -1.86 -0.95 113.55 123.26 1xf8 h SER 300 Ca -0.33 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.90 1xf8 h SER 300 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1xf8 h SER 300 CO 0.60 0.17 -0.28 -0.07 -0.87 0.00 0.00 176.83 176.39 1xf8 h LEU 301 N 0.00 0.38 -0.33 5.97 3.38 -1.94 -2.57 115.31 120.21 1xf8 h LEU 301 Ca -0.00 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1xf8 h LEU 301 Cb 0.43 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1xf8 h LEU 301 CO 0.02 0.94 0.21 0.22 0.09 0.00 0.00 178.44 179.92 1xf8 h TYR 302 N -0.16 0.41 0.01 1.13 3.20 -1.76 -1.60 116.97 118.19 1xf8 h TYR 302 Ca -0.01 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1xf8 h TYR 302 Cb 0.91 -0.14 -0.05 0.00 1.54 0.00 0.00 36.73 38.99 1xf8 h TYR 302 CO 0.12 0.25 -0.41 0.28 -1.64 0.00 0.00 178.16 176.77 1xf8 h VAL 303 N 0.44 0.17 0.56 1.81 2.07 -1.19 0.54 116.25 120.64 1xf8 h VAL 303 Ca 0.12 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1xf8 h VAL 303 Cb -0.05 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1xf8 h VAL 303 CO -0.03 0.00 -0.45 0.15 0.02 0.00 0.00 177.57 177.26 1xf8 h PHE 304 N -0.57 -1.22 -0.11 1.57 3.57 -1.36 -2.69 116.94 116.13 1xf8 h PHE 304 Ca 0.05 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1xf8 h PHE 304 Cb 0.65 0.46 -0.00 0.00 2.79 0.00 0.00 35.95 39.84 1xf8 h PHE 304 CO -0.41 -0.63 0.08 0.87 -2.23 0.00 0.00 178.31 176.00 1xf8 h LYS 305 N -0.98 0.00 0.00 1.11 1.57 -1.16 0.49 116.57 117.61 1xf8 h LYS 305 Ca -0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1xf8 h LYS 305 Cb 0.82 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 1xf8 h LYS 305 CO 0.01 0.00 -0.14 1.25 -0.57 0.00 0.00 179.45 180.00 1xf8 h HIS 306 N 0.00 0.00 -0.96 -1.35 2.76 0.41 -0.77 115.15 115.24 1xf8 h HIS 306 Ca 0.05 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1xf8 h HIS 306 Cb 0.22 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.12 1xf8 h HIS 306 CO 0.00 0.14 0.63 0.28 -1.30 0.00 0.00 177.93 177.68 1xf8 h VAL 307 N 0.00 1.18 0.00 5.26 2.07 -0.68 -2.98 116.25 121.11 1xf8 h VAL 307 Ca -0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1xf8 h VAL 307 Cb 0.39 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1xf8 h VAL 307 CO 0.02 0.22 -0.92 0.49 0.02 0.00 0.00 177.57 177.41 1xf8 n PHE 308 N -4.46 0.01 -3.76 1.57 3.01 -0.64 -4.78 117.46 108.41 1xf8 n PHE 308 Ca 0.12 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.29 1xf8 n PHE 308 Cb 0.07 -0.07 -0.15 0.00 -0.01 0.00 0.00 39.48 39.32 1xf8 n PHE 308 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1xf8 s VAL 309 N -3.01 0.89 -0.20 -4.37 1.01 -0.39 -4.89 120.40 109.43 1xf8 s VAL 309 Ca 0.08 -1.22 0.18 0.00 0.00 0.00 0.00 61.98 61.02 1xf8 s VAL 309 Cb 0.16 -1.56 0.05 0.00 0.00 0.00 0.00 36.38 35.03 1xf8 s VAL 309 CO 0.83 -0.52 1.27 0.11 0.00 0.00 0.00 175.10 176.79 1xf8 h LYS 310 N 8.10 0.00 -7.31 2.72 1.79 -1.87 -3.40 116.57 116.61 1xf8 h LYS 310 Ca -0.14 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.81 1xf8 h LYS 310 Cb 1.04 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.83 1xf8 h LYS 310 CO 0.44 0.31 0.31 -0.51 -1.08 0.00 0.00 179.45 178.92 1xf8 s ASP 311 N -6.12 4.34 0.65 0.86 1.01 -1.26 -4.97 116.67 111.18 1xf8 s ASP 311 Ca 0.02 1.87 -0.17 0.00 0.71 0.00 0.00 52.55 54.99 1xf8 s ASP 311 Cb 0.08 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.47 1xf8 s ASP 311 CO 0.76 -2.15 1.17 0.00 0.21 0.00 0.00 175.17 175.15 1xf8 s ALA 312 N -2.86 2.42 0.55 5.23 0.00 -1.26 -4.95 121.76 120.89 1xf8 s ALA 312 Ca 0.62 0.80 -0.21 0.00 0.00 0.00 0.00 51.96 53.17 1xf8 s ALA 312 Cb -0.18 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 1xf8 s ALA 312 CO 0.56 -1.34 1.29 -2.14 0.00 0.00 0.00 175.76 174.13 1xf8 s PRO 313 N -3.73 3.15 0.20 0.00 0.02 -1.26 -4.84 135.00 128.53 1xf8 s PRO 313 Ca 0.73 2.07 -0.30 0.00 0.02 0.00 0.00 61.00 63.51 1xf8 s PRO 313 Cb -0.26 -2.18 -0.08 0.00 0.02 0.00 0.00 34.50 32.00 1xf8 s PRO 313 CO 0.38 -1.13 0.95 1.03 -0.33 0.00 0.00 177.00 177.90 1xf8 s ARG 314 N -3.00 4.80 -0.24 5.54 0.52 0.08 -4.84 118.95 121.82 1xf8 s ARG 314 Ca 0.72 1.48 -0.03 0.00 -0.52 0.00 0.00 55.73 57.38 1xf8 s ARG 314 Cb -0.36 -3.31 0.01 0.00 0.52 0.00 0.00 34.95 31.80 1xf8 s ARG 314 CO 0.42 0.40 -0.04 -2.00 0.02 0.00 0.00 175.30 174.11 1xf8 s GLU 315 N -0.77 3.14 0.49 3.54 2.12 -1.26 -1.61 118.70 124.35 1xf8 s GLU 315 Ca 0.43 -0.78 -0.05 0.00 0.36 0.00 0.00 54.97 54.93 1xf8 s GLU 315 Cb -0.25 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.07 1xf8 s GLU 315 CO 0.31 -0.30 0.78 0.71 -0.54 0.00 0.00 175.26 176.22 1xf8 s TYR 316 N 1.43 3.49 0.62 5.30 4.12 -0.42 -0.36 117.35 131.53 1xf8 s TYR 316 Ca 0.03 0.72 0.43 0.00 0.02 0.00 0.00 57.07 58.28 1xf8 s TYR 316 Cb -0.15 -2.34 2.33 0.00 -1.52 0.00 0.00 41.96 40.27 1xf8 s TYR 316 CO -0.03 -0.34 2.34 0.97 0.02 0.00 0.00 175.55 178.51 1xf8 h ILE 317 N 0.20 0.04 0.00 2.71 6.09 -1.06 -3.37 117.51 122.12 1xf8 h ILE 317 Ca -0.47 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 62.98 1xf8 h ILE 317 Cb 1.22 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.54 1xf8 h ILE 317 CO 0.61 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 176.30 1xf8 n GLY 318 N -1.01 -0.34 3.71 8.18 0.00 -1.26 -4.53 105.19 109.94 1xf8 n GLY 318 Ca -0.03 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 1xf8 n GLY 318 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xf8 s GLU 319 N 0.00 4.38 -0.29 1.61 2.02 -0.87 -4.33 118.70 121.22 1xf8 s GLU 319 Ca 0.00 0.69 -0.06 0.00 0.02 0.00 0.00 54.97 55.62 1xf8 s GLU 319 Cb 0.00 -3.46 0.02 0.00 0.10 0.00 0.00 34.13 30.79 1xf8 s GLU 319 CO 0.00 0.07 0.06 0.42 0.02 0.00 0.00 175.26 175.83 1xf8 s ILE 320 N 0.84 3.74 -0.22 -1.63 1.01 -0.38 -0.93 121.20 123.62 1xf8 s ILE 320 Ca 0.32 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 1xf8 s ILE 320 Cb -0.17 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 1xf8 s ILE 320 CO 0.14 0.05 -0.01 -1.81 0.00 0.00 0.00 174.94 173.32 1xf8 s ASP 321 N 1.45 4.63 -0.60 3.58 1.01 0.64 -1.91 116.67 125.47 1xf8 s ASP 321 Ca 0.01 -0.29 -0.20 0.00 0.71 0.00 0.00 52.55 52.78 1xf8 s ASP 321 Cb -0.18 -1.80 0.10 0.00 1.01 0.00 0.00 42.92 42.05 1xf8 s ASP 321 CO 0.01 0.01 0.75 -0.75 0.21 0.00 0.00 175.17 175.40 1xf8 s LYS 322 N 1.34 3.06 -0.02 8.23 2.47 -0.42 -1.06 119.74 133.33 1xf8 s LYS 322 Ca 0.04 -1.23 -0.30 0.00 -1.56 0.00 0.00 55.97 52.92 1xf8 s LYS 322 Cb -0.15 -4.26 -0.05 0.00 -1.46 0.00 0.00 37.83 31.92 1xf8 s LYS 322 CO 0.00 -1.59 1.39 0.08 0.16 0.00 0.00 175.35 175.40 1xf8 s VAL 323 N 2.93 3.78 -0.16 4.02 1.01 -1.26 -2.17 120.40 128.55 1xf8 s VAL 323 Ca 0.13 1.13 -0.03 0.00 0.00 0.00 0.00 61.98 63.22 1xf8 s VAL 323 Cb -0.23 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.33 1xf8 s VAL 323 CO 0.07 -0.02 -0.17 0.18 0.00 0.00 0.00 175.10 175.16 1xf8 n LEU 324 N 5.56 2.20 -4.01 3.92 4.77 -0.61 -4.85 117.00 123.97 1xf8 n LEU 324 Ca 0.13 0.04 -0.32 0.00 -0.03 0.00 0.00 56.01 55.83 1xf8 n LEU 324 Cb 0.44 -0.53 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 1xf8 n LEU 324 CO 0.58 0.58 -0.16 -0.62 -1.33 0.00 0.00 177.39 176.44 1xf8 s ASP 325 N -5.96 4.70 0.31 -1.43 -1.08 -0.37 -5.00 116.67 107.86 1xf8 s ASP 325 Ca -0.22 -2.70 0.03 0.00 -0.52 0.00 0.00 52.55 49.14 1xf8 s ASP 325 Cb 0.07 -1.70 0.63 0.00 -1.46 0.00 0.00 42.92 40.46 1xf8 s ASP 325 CO 0.33 -0.32 1.88 1.55 0.52 0.00 0.00 175.17 179.13 1xf8 h PRO 326 N 7.01 0.88 -0.01 4.34 0.13 -1.89 0.72 132.00 143.19 1xf8 h PRO 326 Ca -0.06 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1xf8 h PRO 326 Cb 0.95 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 1xf8 h PRO 326 CO 0.66 0.58 -0.00 1.49 -0.23 0.00 0.00 178.00 180.50 1xf8 h GLU 327 N 0.91 0.02 -0.61 0.86 4.81 -1.97 -2.02 114.58 116.58 1xf8 h GLU 327 Ca 0.43 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.57 1xf8 h GLU 327 Cb 0.43 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1xf8 h GLU 327 CO -0.19 0.37 0.05 0.28 -0.73 0.00 0.00 179.01 178.79 1xf8 h VAL 328 N -0.34 1.26 -0.48 0.32 2.07 -1.92 -2.32 116.25 114.85 1xf8 h VAL 328 Ca 0.00 -1.08 0.07 0.00 0.82 0.00 0.00 66.70 66.52 1xf8 h VAL 328 Cb 0.37 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1xf8 h VAL 328 CO 0.00 0.39 0.13 0.22 0.02 0.00 0.00 177.57 178.33 1xf8 h TYR 329 N 0.96 0.21 -0.16 1.57 3.20 -0.78 0.40 116.97 122.37 1xf8 h TYR 329 Ca 0.18 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 1xf8 h TYR 329 Cb 0.49 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1xf8 h TYR 329 CO 0.03 0.04 -0.15 0.00 -1.64 0.00 0.00 178.16 176.44 1xf8 h ALA 330 N 1.35 1.46 -0.17 1.82 0.00 -1.12 0.30 119.26 122.90 1xf8 h ALA 330 Ca 0.23 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 1xf8 h ALA 330 Cb 0.28 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xf8 h ALA 330 CO -0.28 0.38 -0.65 0.93 0.00 0.00 0.00 179.25 179.64 1xf8 h GLU 331 N 0.24 0.73 -0.01 0.00 5.08 -0.63 -3.34 114.58 116.66 1xf8 h GLU 331 Ca 0.05 -0.57 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1xf8 h GLU 331 Cb 0.41 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1xf8 h GLU 331 CO 0.03 1.18 -0.69 1.28 -1.00 0.00 0.00 179.01 179.81 1xf8 n LEU 332 N -4.04 1.23 -3.76 1.33 4.77 -0.01 -4.89 117.00 111.63 1xf8 n LEU 332 Ca -0.07 -0.47 -0.23 0.00 -0.03 0.00 0.00 56.01 55.21 1xf8 n LEU 332 Cb 0.68 -0.05 -0.18 0.00 -2.33 0.00 0.00 43.42 41.54 1xf8 n LEU 332 CO 0.50 0.26 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.76 1xf8 s VAL 333 N -2.79 0.34 0.25 4.08 1.01 0.10 -5.06 120.40 118.33 1xf8 s VAL 333 Ca 0.13 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1xf8 s VAL 333 Cb 0.17 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 1xf8 s VAL 333 CO 0.72 0.23 0.11 -0.54 0.00 0.00 0.00 175.10 175.61 1xf8 s LYS 334 N 1.99 1.39 0.00 2.72 1.02 -1.26 -4.46 119.74 121.14 1xf8 s LYS 334 Ca 0.05 -1.76 0.29 0.00 0.02 0.00 0.00 55.97 54.57 1xf8 s LYS 334 Cb -0.12 -0.15 1.30 0.00 -0.52 0.00 0.00 37.83 38.34 1xf8 s LYS 334 CO -0.05 -0.33 1.89 -0.25 -0.92 0.00 0.00 175.35 175.69