#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th3 n ARG 4 N 0.00 1.08 -0.85 3.52 1.74 -1.26 -5.13 116.66 115.76 1th3 n ARG 4 Ca 0.00 -2.39 -0.30 0.00 -0.77 0.00 0.00 57.85 54.39 1th3 n ARG 4 Cb 0.00 0.48 0.17 0.00 -1.02 0.00 0.00 32.46 32.09 1th3 n ARG 4 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1th3 s ASP 5 N -2.98 2.76 0.17 0.55 -4.77 -1.26 -4.79 116.67 106.35 1th3 s ASP 5 Ca 0.09 1.81 -0.12 0.00 -3.30 0.00 0.00 52.55 51.03 1th3 s ASP 5 Cb -0.01 -2.40 0.08 0.00 -1.09 0.00 0.00 42.92 39.50 1th3 s ASP 5 CO 0.06 -3.14 1.74 -0.65 0.70 0.00 0.00 175.17 173.88 1th3 h PRO 6 N -1.89 0.88 -0.30 2.11 0.11 -1.94 -0.83 132.00 130.14 1th3 h PRO 6 Ca -0.49 -0.15 0.05 0.00 0.11 0.00 0.00 66.00 65.52 1th3 h PRO 6 Cb 1.28 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 1th3 h PRO 6 CO 0.48 0.74 0.03 0.00 -0.21 0.00 0.00 178.00 179.04 1th3 h ALA 7 N 1.10 0.29 0.00 -0.75 0.00 -1.92 -1.08 119.26 116.90 1th3 h ALA 7 Ca 0.20 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1th3 h ALA 7 Cb 0.17 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1th3 h ALA 7 CO -0.02 -0.38 -0.13 0.66 0.00 0.00 0.00 179.25 179.38 1th3 h SER 8 N 0.12 0.00 -0.49 0.00 4.64 -1.86 -2.84 113.55 113.12 1th3 h SER 8 Ca 0.14 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.27 1th3 h SER 8 Cb 0.18 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.15 1th3 h SER 8 CO -0.22 0.13 0.25 0.47 -0.87 0.00 0.00 176.83 176.59 1th3 n ASP 9 N -3.32 3.57 0.07 4.97 8.00 -0.34 -4.64 116.55 124.85 1th3 n ASP 9 Ca -0.00 -2.80 -0.16 0.00 0.71 0.00 0.00 54.79 52.54 1th3 n ASP 9 Cb 0.35 -0.67 -0.09 0.00 -0.02 0.00 0.00 41.12 40.69 1th3 n ASP 9 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1th3 h GLN 10 N 1.22 -0.66 0.13 -1.24 -0.00 -1.36 -1.88 115.11 111.33 1th3 h GLN 10 Ca 0.24 0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.93 1th3 h GLN 10 Cb 1.84 0.15 0.00 0.00 0.00 0.00 0.00 27.48 29.47 1th3 h GLN 10 CO 0.52 -0.44 -0.06 0.52 0.00 0.00 0.00 178.83 179.36 1th3 h MET 11 N -0.69 -0.17 -0.82 1.69 2.86 -1.89 -2.80 114.93 113.12 1th3 h MET 11 Ca 0.01 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.74 1th3 h MET 11 Cb 0.73 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.33 1th3 h MET 11 CO -0.34 0.22 -0.48 1.17 1.06 0.00 0.00 176.91 178.54 1th3 n LYS 12 N -4.98 -0.36 0.10 1.72 4.81 -1.18 0.97 118.16 119.24 1th3 n LYS 12 Ca -0.09 1.28 0.07 0.00 -0.87 0.00 0.00 58.31 58.70 1th3 n LYS 12 Cb 0.24 -1.88 0.53 0.00 0.02 0.00 0.00 35.03 33.94 1th3 n LYS 12 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1th3 h HIS 13 N 0.00 0.28 -0.38 5.64 3.86 -1.40 -2.52 115.15 120.63 1th3 h HIS 13 Ca 0.13 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1th3 h HIS 13 Cb 0.34 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1th3 h HIS 13 CO -0.88 0.17 -0.03 2.35 0.86 0.00 0.00 177.93 180.39 1th3 h TRP 14 N 0.29 0.77 -0.10 2.45 7.01 0.89 -2.20 115.95 125.06 1th3 h TRP 14 Ca 0.10 -0.15 -0.10 0.00 2.11 0.00 0.00 58.89 60.86 1th3 h TRP 14 Cb 0.05 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 26.90 1th3 h TRP 14 CO -0.00 0.80 -0.39 -0.22 -2.79 0.00 0.00 178.44 175.84 1th3 h LYS 15 N 0.51 0.21 0.03 2.65 3.64 -0.78 -0.61 116.57 122.22 1th3 h LYS 15 Ca 0.10 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1th3 h LYS 15 Cb 0.52 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1th3 h LYS 15 CO 0.03 0.58 -0.02 0.93 -2.27 0.00 0.00 179.45 178.70 1th3 h GLU 16 N 0.18 -0.04 -0.91 1.90 5.08 -1.36 -2.61 114.58 116.82 1th3 h GLU 16 Ca 0.02 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1th3 h GLU 16 Cb 0.78 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 1th3 h GLU 16 CO 0.06 0.51 0.59 1.96 -1.00 0.00 0.00 179.01 181.13 1th3 h GLN 17 N -0.63 1.11 -1.08 2.33 4.20 -1.38 0.79 115.11 120.45 1th3 h GLN 17 Ca -0.00 -0.07 0.29 0.00 0.06 0.00 0.00 58.65 58.93 1th3 h GLN 17 Cb 0.57 -0.25 -0.09 0.00 0.30 0.00 0.00 27.48 28.01 1th3 h GLN 17 CO 0.01 0.73 0.71 -0.09 -0.67 0.00 0.00 178.83 179.52 1th3 h ARG 18 N 1.14 0.28 0.00 1.46 9.65 -1.03 -3.46 114.38 122.42 1th3 h ARG 18 Ca 0.36 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.23 1th3 h ARG 18 Cb 0.01 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 1th3 h ARG 18 CO -0.12 0.19 0.00 0.00 2.80 0.00 0.00 179.97 182.83 1th3 n ALA 19 N -2.54 0.00 -0.36 2.80 0.00 0.28 -3.59 120.51 117.10 1th3 n ALA 19 Ca 0.26 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.80 1th3 n ALA 19 Cb 0.99 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.76 1th3 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1th3 n ALA 20 N 7.04 2.68 -0.39 0.00 0.00 -1.26 -4.84 120.51 123.74 1th3 n ALA 20 Ca 0.00 -1.36 -0.26 0.00 0.00 0.00 0.00 53.44 51.82 1th3 n ALA 20 Cb 0.00 -0.98 0.23 0.00 0.00 0.00 0.00 19.45 18.71 1th3 n ALA 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1th3 n GLN 21 N 1.37 -3.51 -4.29 0.00 6.02 -1.24 -5.01 117.38 110.73 1th3 n GLN 21 Ca 0.24 -1.04 -0.33 0.00 -0.01 0.00 0.00 57.00 55.86 1th3 n GLN 21 Cb 0.71 -1.79 -0.09 0.00 1.02 0.00 0.00 30.24 30.09 1th3 n GLN 21 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1th3 s LYS 22 N -4.33 2.89 -0.14 -1.09 -0.14 -1.26 -5.05 119.74 110.62 1th3 s LYS 22 Ca 0.56 -0.52 -0.33 0.00 -1.36 0.00 0.00 55.97 54.33 1th3 s LYS 22 Cb -0.12 -2.74 -0.10 0.00 -1.68 0.00 0.00 37.83 33.19 1th3 s LYS 22 CO 0.51 0.66 2.01 -2.30 -0.76 0.00 0.00 175.35 175.46 1th3 n PRO 23 N 1.62 2.07 -1.15 -1.68 -0.02 -1.26 -4.91 135.00 129.67 1th3 n PRO 23 Ca -0.16 0.71 -0.37 0.00 -2.02 0.00 0.00 63.50 61.66 1th3 n PRO 23 Cb 0.53 -2.78 0.04 0.00 -0.02 0.00 0.00 33.50 31.27 1th3 n PRO 23 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1th3 n ASP 24 N 8.25 -3.75 -4.70 2.55 8.00 -1.26 -4.82 116.55 120.83 1th3 n ASP 24 Ca 0.27 0.47 -0.42 0.00 0.71 0.00 0.00 54.79 55.81 1th3 n ASP 24 Cb 0.33 -0.93 -0.03 0.00 -0.02 0.00 0.00 41.12 40.47 1th3 n ASP 24 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1th3 s VAL 25 N -1.99 4.65 -0.10 2.53 1.01 -1.26 -4.97 120.40 120.27 1th3 s VAL 25 Ca 0.54 1.92 -0.29 0.00 0.00 0.00 0.00 61.98 64.14 1th3 s VAL 25 Cb -0.34 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 1th3 s VAL 25 CO 0.70 0.06 1.67 -0.22 0.00 0.00 0.00 175.10 177.30 1th3 s LEU 26 N 1.69 4.19 0.38 3.92 0.20 -1.26 -4.96 118.68 122.85 1th3 s LEU 26 Ca 0.52 2.09 0.08 0.00 0.69 0.00 0.00 54.13 57.50 1th3 s LEU 26 Cb -0.21 -3.53 -0.07 0.00 -0.43 0.00 0.00 46.19 41.95 1th3 s LEU 26 CO 0.22 -1.04 -0.00 0.42 -0.29 0.00 0.00 176.35 175.66 1th3 s THR 27 N 4.46 2.19 0.94 3.68 -4.23 -1.26 -0.51 115.64 120.92 1th3 s THR 27 Ca 0.74 -2.02 -0.16 0.00 -1.18 0.00 0.00 61.69 59.07 1th3 s THR 27 Cb -0.31 -2.87 0.22 0.00 1.34 0.00 0.00 72.50 70.88 1th3 s THR 27 CO 0.30 -0.09 1.26 0.35 -0.54 0.00 0.00 174.62 175.90 1th3 n THR 28 N -0.95 0.00 0.25 3.99 -2.24 -0.08 -4.84 114.28 110.42 1th3 n THR 28 Ca -0.04 -0.91 0.11 0.00 -2.27 0.00 0.00 64.05 60.93 1th3 n THR 28 Cb 0.65 -1.52 0.67 0.00 -2.10 0.00 0.00 70.33 68.03 1th3 n THR 28 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1th3 h GLY 29 N -1.71 0.00 1.45 3.38 0.00 -1.91 -1.88 103.07 102.40 1th3 h GLY 29 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1th3 h GLY 29 CO 0.29 0.00 -0.01 0.61 0.00 0.00 0.00 176.54 177.43 1th3 n GLY 30 N -0.74 -1.22 1.15 4.60 0.00 -1.26 -4.91 105.19 102.80 1th3 n GLY 30 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1th3 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th3 n GLY 31 N 1.25 0.66 3.77 -0.02 0.00 -0.70 -5.07 105.19 105.08 1th3 n GLY 31 Ca 0.16 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1th3 n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th3 s ASN 32 N -2.43 6.75 0.41 1.61 0.02 -1.26 -4.78 114.94 115.26 1th3 s ASN 32 Ca 0.00 0.89 -0.26 0.00 -1.02 0.00 0.00 52.86 52.47 1th3 s ASN 32 Cb 0.00 -2.27 -0.08 0.00 0.02 0.00 0.00 41.25 38.91 1th3 s ASN 32 CO 0.00 0.14 1.27 -2.84 0.02 0.00 0.00 177.10 175.69 1th3 s PRO 33 N -0.13 3.95 -0.05 -0.60 0.02 -1.26 -0.90 135.00 136.04 1th3 s PRO 33 Ca 0.25 2.08 -0.10 0.00 0.02 0.00 0.00 61.00 63.25 1th3 s PRO 33 Cb -0.16 -2.71 -0.05 0.00 0.02 0.00 0.00 34.50 31.60 1th3 s PRO 33 CO 0.12 -0.48 0.26 0.14 -0.33 0.00 0.00 177.00 176.71 1th3 s VAL 34 N -1.30 5.29 -0.21 3.83 -7.23 0.33 -4.88 120.40 116.23 1th3 s VAL 34 Ca 0.58 0.42 0.21 0.00 -1.81 0.00 0.00 61.98 61.38 1th3 s VAL 34 Cb -0.36 -3.55 -0.04 0.00 0.56 0.00 0.00 36.38 32.99 1th3 s VAL 34 CO 0.46 0.54 0.98 0.61 -0.31 0.00 0.00 175.10 177.38 1th3 n GLY 35 N 1.70 -1.40 2.76 2.32 0.00 -1.26 -4.79 105.19 104.52 1th3 n GLY 35 Ca -0.16 -0.21 0.01 0.00 0.00 0.00 0.00 46.02 45.66 1th3 n GLY 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1th3 s ASP 36 N -5.44 -0.32 -0.06 1.61 2.15 -1.26 -5.03 116.67 108.31 1th3 s ASP 36 Ca -0.01 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 52.78 1th3 s ASP 36 Cb 0.09 0.41 0.09 0.00 -0.30 0.00 0.00 42.92 43.22 1th3 s ASP 36 CO 0.80 -0.03 1.21 1.17 -0.17 0.00 0.00 175.17 178.14 1th3 n LYS 37 N 3.55 1.18 0.00 4.34 4.81 -1.26 -3.55 118.16 127.23 1th3 n LYS 37 Ca 0.06 -0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.09 1th3 n LYS 37 Cb 0.63 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 34.52 1th3 n LYS 37 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1th3 n LEU 38 N 0.36 0.00 -3.88 3.14 4.77 -1.26 -5.03 117.00 115.10 1th3 n LEU 38 Ca 0.08 -0.37 -0.16 0.00 -0.03 0.00 0.00 56.01 55.53 1th3 n LEU 38 Cb 0.65 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.59 1th3 n LEU 38 CO 0.09 0.00 -0.38 0.20 -1.33 0.00 0.00 177.39 175.96 1th3 s ASN 39 N -0.94 0.46 0.59 -1.43 0.01 -1.23 -5.15 114.94 107.25 1th3 s ASN 39 Ca 0.00 -0.05 -0.13 0.00 -0.71 0.00 0.00 52.86 51.97 1th3 s ASN 39 Cb 0.00 -0.16 -0.05 0.00 0.41 0.00 0.00 41.25 41.45 1th3 s ASN 39 CO 0.00 -0.03 1.02 -0.44 -1.51 0.00 0.00 177.10 176.14 1th3 s SER 40 N 0.48 6.22 -0.27 -1.22 0.01 -1.26 -4.96 113.70 112.71 1th3 s SER 40 Ca -0.05 1.52 -0.28 0.00 1.31 0.00 0.00 55.95 58.45 1th3 s SER 40 Cb -0.08 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.67 1th3 s SER 40 CO -0.01 -0.87 1.02 -0.22 0.41 0.00 0.00 173.24 173.57 1th3 s LEU 41 N -4.83 4.04 0.07 2.44 2.96 -1.26 -5.01 118.68 117.09 1th3 s LEU 41 Ca 0.57 1.20 0.01 0.00 -0.22 0.00 0.00 54.13 55.70 1th3 s LEU 41 Cb -0.11 -3.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1th3 s LEU 41 CO 0.46 -0.73 -0.06 0.42 -1.32 0.00 0.00 176.35 175.12 1th3 s THR 42 N 3.31 0.57 -0.96 3.68 -4.23 -1.26 -2.85 115.64 113.90 1th3 s THR 42 Ca 0.43 -1.67 -0.16 0.00 -1.18 0.00 0.00 61.69 59.11 1th3 s THR 42 Cb -0.14 -1.34 0.17 0.00 1.34 0.00 0.00 72.50 72.53 1th3 s THR 42 CO 0.10 -0.75 1.10 0.54 -0.54 0.00 0.00 174.62 175.06 1th3 s VAL 43 N -3.02 5.04 0.00 2.29 0.11 -1.18 -4.84 120.40 118.80 1th3 s VAL 43 Ca 0.05 -2.05 0.00 0.00 -2.93 0.00 0.00 61.98 57.04 1th3 s VAL 43 Cb 0.01 -4.72 0.00 0.00 -1.53 0.00 0.00 36.38 30.14 1th3 s VAL 43 CO -0.04 -1.40 0.00 0.61 -3.33 0.00 0.00 175.10 170.94 1th3 n GLY 44 N 4.78 2.61 0.00 6.54 0.00 -1.26 -3.88 105.19 113.98 1th3 n GLY 44 Ca 0.24 -1.93 0.09 0.00 0.00 0.00 0.00 46.02 44.42 1th3 n GLY 44 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1th3 n PRO 45 N 0.89 0.26 -2.77 1.61 -0.04 -1.26 -3.07 135.00 130.62 1th3 n PRO 45 Ca 0.00 0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.55 1th3 n PRO 45 Cb 0.00 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.03 1th3 n PRO 45 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1th3 n ARG 46 N -1.29 1.54 -4.14 0.54 1.74 -1.26 -5.11 116.66 108.68 1th3 n ARG 46 Ca 0.09 -2.86 -0.28 0.00 -0.77 0.00 0.00 57.85 54.02 1th3 n ARG 46 Cb 0.15 -1.01 -0.03 0.00 -1.02 0.00 0.00 32.46 30.54 1th3 n ARG 46 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1th3 n GLY 47 N -0.75 3.10 3.63 -0.13 0.00 -1.18 -5.07 105.19 104.80 1th3 n GLY 47 Ca 0.01 -2.33 -0.30 0.00 0.00 0.00 0.00 46.02 43.40 1th3 n GLY 47 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1th3 s PRO 48 N -4.04 0.58 0.10 1.61 0.02 -1.26 -4.57 135.00 127.44 1th3 s PRO 48 Ca 0.18 1.42 -0.22 0.00 0.02 0.00 0.00 61.00 62.40 1th3 s PRO 48 Cb -0.01 -1.69 -0.07 0.00 0.02 0.00 0.00 34.50 32.75 1th3 s PRO 48 CO 0.11 -2.89 0.66 -1.17 -0.33 0.00 0.00 177.00 173.38 1th3 s LEU 49 N -6.75 4.54 -0.12 -5.54 2.96 -1.26 -3.07 118.68 109.43 1th3 s LEU 49 Ca 0.67 1.41 -0.05 0.00 -0.22 0.00 0.00 54.13 55.94 1th3 s LEU 49 Cb -0.23 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 1th3 s LEU 49 CO 0.59 0.22 0.06 -0.76 -1.32 0.00 0.00 176.35 175.15 1th3 s LEU 50 N -0.99 3.91 0.47 -0.68 1.43 -1.13 -4.95 118.68 116.74 1th3 s LEU 50 Ca 0.32 0.23 0.22 0.00 -1.03 0.00 0.00 54.13 53.88 1th3 s LEU 50 Cb -0.21 -1.94 1.24 0.00 0.03 0.00 0.00 46.19 45.31 1th3 s LEU 50 CO 0.22 0.33 1.92 0.58 0.23 0.00 0.00 176.35 179.63 1th3 h VAL 51 N 4.29 0.70 0.00 -1.59 2.07 -1.97 0.10 116.25 119.86 1th3 h VAL 51 Ca -0.48 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1th3 h VAL 51 Cb 1.20 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1th3 h VAL 51 CO 0.60 0.04 0.10 1.67 0.02 0.00 0.00 177.57 180.00 1th3 n GLN 52 N -4.42 0.08 -2.82 1.57 7.27 -1.26 -4.24 117.38 113.57 1th3 n GLN 52 Ca 0.15 0.55 -0.43 0.00 0.07 0.00 0.00 57.00 57.34 1th3 n GLN 52 Cb 0.69 -1.87 -0.02 0.00 2.41 0.00 0.00 30.24 31.45 1th3 n GLN 52 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1th3 s ASP 53 N -3.48 6.66 0.00 1.69 -1.08 0.36 -4.77 116.67 116.04 1th3 s ASP 53 Ca -0.01 -2.03 0.28 0.00 -0.52 0.00 0.00 52.55 50.27 1th3 s ASP 53 Cb 0.04 -2.45 1.12 0.00 -1.46 0.00 0.00 42.92 40.16 1th3 s ASP 53 CO 0.11 -1.14 1.83 1.33 0.52 0.00 0.00 175.17 177.82 1th3 n VAL 54 N 5.78 0.00 -0.00 1.11 0.24 -1.26 -2.85 118.33 121.36 1th3 n VAL 54 Ca 0.29 -0.01 -0.18 0.00 -2.04 0.00 0.00 64.34 62.40 1th3 n VAL 54 Cb 0.49 -0.28 -0.10 0.00 -1.47 0.00 0.00 33.84 32.48 1th3 n VAL 54 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1th3 h VAL 55 N 0.09 1.36 0.67 3.34 2.07 -1.96 0.29 116.25 122.11 1th3 h VAL 55 Ca 0.00 -2.03 -0.03 0.00 0.82 0.00 0.00 66.70 65.46 1th3 h VAL 55 Cb 0.45 2.36 0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1th3 h VAL 55 CO 0.00 0.61 -0.32 0.15 0.02 0.00 0.00 177.57 178.03 1th3 h PHE 56 N 0.15 -0.83 -0.64 1.57 3.57 -1.95 -2.16 116.94 116.65 1th3 h PHE 56 Ca -0.07 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.47 1th3 h PHE 56 Cb 1.36 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 40.33 1th3 h PHE 56 CO 0.12 -0.52 0.35 1.15 -2.23 0.00 0.00 178.31 177.18 1th3 h THR 57 N -0.95 0.96 -0.68 4.41 2.02 -1.62 1.03 112.91 118.08 1th3 h THR 57 Ca -0.09 -0.22 0.12 0.00 0.77 0.00 0.00 66.41 66.99 1th3 h THR 57 Cb 0.69 0.26 -0.09 0.00 -1.74 0.00 0.00 68.15 67.27 1th3 h THR 57 CO 0.15 0.12 0.22 -0.78 0.37 0.00 0.00 175.52 175.60 1th3 h ASP 58 N 0.64 0.16 0.15 4.18 3.58 -0.93 0.26 116.42 124.45 1th3 h ASP 58 Ca 0.29 0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.84 1th3 h ASP 58 Cb 0.19 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1th3 h ASP 58 CO -0.18 0.07 -0.07 -0.08 -2.88 0.00 0.00 179.24 176.09 1th3 h GLU 59 N 0.36 -0.19 0.02 0.28 4.81 -0.44 -3.20 114.58 116.22 1th3 h GLU 59 Ca 0.36 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.63 1th3 h GLU 59 Cb 0.54 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 1th3 h GLU 59 CO -0.40 0.25 -0.41 1.98 -0.73 0.00 0.00 179.01 179.71 1th3 h MET 60 N -0.84 -0.56 -0.61 1.92 4.05 0.13 -1.53 114.93 117.49 1th3 h MET 60 Ca -0.02 0.04 0.18 0.00 -0.28 0.00 0.00 59.70 59.62 1th3 h MET 60 Cb 0.53 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.44 1th3 h MET 60 CO 0.03 -0.37 0.50 0.00 0.23 0.00 0.00 176.91 177.30 1th3 h ALA 61 N -0.02 2.48 0.11 0.39 0.00 -0.63 -0.95 119.26 120.64 1th3 h ALA 61 Ca 0.04 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 1th3 h ALA 61 Cb 0.65 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.50 1th3 h ALA 61 CO -0.30 -0.82 -0.90 1.25 0.00 0.00 0.00 179.25 178.48 1th3 h HIS 62 N 0.00 0.70 -0.43 0.00 6.17 -1.29 -3.23 115.15 117.07 1th3 h HIS 62 Ca 0.29 -0.46 0.07 0.00 0.71 0.00 0.00 60.37 60.99 1th3 h HIS 62 Cb 1.29 -0.05 -0.06 0.00 2.52 0.00 0.00 27.41 31.11 1th3 h HIS 62 CO 0.00 1.32 0.06 0.35 0.71 0.00 0.00 177.93 180.37 1th3 h PHE 63 N -0.12 0.09 0.00 5.26 3.57 -0.67 -0.58 116.94 124.48 1th3 h PHE 63 Ca -0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1th3 h PHE 63 Cb 1.66 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.42 1th3 h PHE 63 CO 0.16 -0.02 0.13 -0.44 -2.23 0.00 0.00 178.31 175.91 1th3 h ASP 64 N 0.18 0.00 -0.23 0.41 3.32 -1.40 -0.91 116.42 117.79 1th3 h ASP 64 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1th3 h ASP 64 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1th3 h ASP 64 CO -0.30 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.76 1th3 n ARG 65 N -2.82 2.77 -0.28 3.56 1.74 -0.27 -4.72 116.66 116.63 1th3 n ARG 65 Ca -0.02 -2.21 -0.05 0.00 -0.77 0.00 0.00 57.85 54.80 1th3 n ARG 65 Cb 0.18 -1.40 0.07 0.00 -1.02 0.00 0.00 32.46 30.29 1th3 n ARG 65 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1th3 h GLU 66 N 1.42 1.05 -6.59 5.56 5.08 -0.69 -3.44 114.58 116.96 1th3 h GLU 66 Ca 0.00 -0.09 -0.51 0.00 -1.00 0.00 0.00 59.36 57.76 1th3 h GLU 66 Cb 0.91 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1th3 h GLU 66 CO 0.06 0.73 0.27 1.03 -1.00 0.00 0.00 179.01 180.10 1th3 s ARG 67 N -6.01 4.69 0.28 2.33 1.81 -1.26 -5.07 118.95 115.72 1th3 s ARG 67 Ca -0.13 1.33 0.12 0.00 -1.72 0.00 0.00 55.73 55.32 1th3 s ARG 67 Cb 0.15 -3.30 -0.05 0.00 -0.45 0.00 0.00 34.95 31.30 1th3 s ARG 67 CO 0.79 0.46 -0.17 0.96 -0.68 0.00 0.00 175.30 176.66 1th3 s ILE 68 N -0.84 2.62 0.35 1.52 -4.36 -1.26 -5.09 121.20 114.14 1th3 s ILE 68 Ca 0.40 -2.33 -0.29 0.00 -0.26 0.00 0.00 60.65 58.18 1th3 s ILE 68 Cb -0.24 -2.40 -0.11 0.00 1.25 0.00 0.00 42.46 40.97 1th3 s ILE 68 CO 0.29 -0.39 1.48 -2.84 0.24 0.00 0.00 174.94 173.72 1th3 s PRO 69 N -3.54 4.14 0.74 0.37 0.02 -1.26 -4.98 135.00 130.50 1th3 s PRO 69 Ca 0.30 2.52 -0.11 0.00 0.02 0.00 0.00 61.00 63.73 1th3 s PRO 69 Cb -0.05 -2.99 0.04 0.00 0.02 0.00 0.00 34.50 31.51 1th3 s PRO 69 CO 0.16 -0.51 1.08 -1.83 -0.33 0.00 0.00 177.00 175.57 1th3 s GLU 70 N -1.72 2.56 0.22 5.54 -1.05 -1.26 -4.92 118.70 118.06 1th3 s GLU 70 Ca 0.54 0.72 -0.31 0.00 -0.15 0.00 0.00 54.97 55.77 1th3 s GLU 70 Cb -0.46 -1.97 -0.11 0.00 -0.44 0.00 0.00 34.13 31.16 1th3 s GLU 70 CO 0.59 -1.31 1.62 1.03 0.95 0.00 0.00 175.26 178.13 1th3 s ARG 71 N -5.15 4.17 0.57 -4.83 0.52 -1.26 -4.86 118.95 108.11 1th3 s ARG 71 Ca 0.59 2.49 0.28 0.00 -0.52 0.00 0.00 55.73 58.57 1th3 s ARG 71 Cb -0.14 -3.09 1.49 0.00 0.52 0.00 0.00 34.95 33.73 1th3 s ARG 71 CO 0.54 -0.64 1.97 -0.24 0.02 0.00 0.00 175.30 176.95 1th3 h VAL 72 N 3.76 0.53 -3.91 3.52 3.04 -1.98 -3.35 116.25 117.85 1th3 h VAL 72 Ca -0.44 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.12 1th3 h VAL 72 Cb 1.21 0.70 -0.17 0.00 -2.01 0.00 0.00 31.29 31.02 1th3 h VAL 72 CO 0.89 0.00 -0.56 0.68 -1.01 0.00 0.00 177.57 177.57 1th3 s VAL 73 N -4.78 0.15 -1.41 1.51 -7.23 -1.26 -4.85 120.40 102.53 1th3 s VAL 73 Ca -0.05 -1.24 -0.09 0.00 -1.81 0.00 0.00 61.98 58.80 1th3 s VAL 73 Cb 0.17 -1.02 0.02 0.00 0.56 0.00 0.00 36.38 36.11 1th3 s VAL 73 CO 0.63 -0.69 1.06 1.41 -0.31 0.00 0.00 175.10 177.21 1th3 n HIS 74 N 0.62 -2.68 -0.05 2.82 -0.00 -0.16 -4.91 115.22 110.85 1th3 n HIS 74 Ca -0.18 0.92 -0.11 0.00 -0.00 0.00 0.00 57.72 58.35 1th3 n HIS 74 Cb 0.59 -4.86 -0.05 0.00 -0.00 0.00 0.00 29.99 25.67 1th3 n HIS 74 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1th3 h ALA 75 N 1.01 0.23 -2.35 -1.41 0.00 -1.71 -3.43 119.26 111.62 1th3 h ALA 75 Ca -0.56 -0.14 -0.58 0.00 0.00 0.00 0.00 54.91 53.62 1th3 h ALA 75 Cb 1.37 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1th3 h ALA 75 CO 0.57 -0.13 0.44 0.21 0.00 0.00 0.00 179.25 180.33 1th3 s LYS 76 N -5.31 4.29 0.17 0.00 2.47 -1.25 -4.68 119.74 115.42 1th3 s LYS 76 Ca -0.14 1.05 -0.25 0.00 -1.56 0.00 0.00 55.97 55.08 1th3 s LYS 76 Cb 0.07 -3.58 0.06 0.00 -1.46 0.00 0.00 37.83 32.91 1th3 s LYS 76 CO 0.71 -0.37 0.94 0.20 0.16 0.00 0.00 175.35 176.99 1th3 s GLY 77 N 1.18 -0.21 0.08 5.54 0.00 -1.26 -2.06 107.32 110.58 1th3 s GLY 77 Ca 0.39 0.07 0.07 0.00 0.00 0.00 0.00 44.72 45.25 1th3 s GLY 77 CO 0.12 -0.00 -0.18 0.00 0.00 0.00 0.00 173.10 173.03 1th3 s ALA 78 N -3.35 1.56 0.18 3.20 0.00 -0.23 -4.96 121.76 118.17 1th3 s ALA 78 Ca 0.12 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 51.02 1th3 s ALA 78 Cb -0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1th3 s ALA 78 CO 0.03 0.30 -0.09 0.20 0.00 0.00 0.00 175.76 176.19 1th3 s GLY 79 N -1.69 1.28 -0.12 0.00 0.00 -1.26 -0.37 107.32 105.16 1th3 s GLY 79 Ca 0.04 -1.60 -0.30 0.00 0.00 0.00 0.00 44.72 42.86 1th3 s GLY 79 CO 0.03 -1.66 0.79 0.00 0.00 0.00 0.00 173.10 172.26 1th3 s ALA 80 N -3.23 -1.83 0.27 3.20 0.00 -0.48 -4.44 121.76 115.26 1th3 s ALA 80 Ca 0.21 1.51 0.08 0.00 0.00 0.00 0.00 51.96 53.76 1th3 s ALA 80 Cb 0.02 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1th3 s ALA 80 CO 0.04 -0.34 0.12 -0.06 0.00 0.00 0.00 175.76 175.52 1th3 s PHE 81 N -0.89 2.89 0.00 0.00 0.08 -0.79 -0.59 117.98 118.68 1th3 s PHE 81 Ca -0.06 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 56.79 1th3 s PHE 81 Cb -0.01 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 41.07 1th3 s PHE 81 CO 0.06 0.52 0.00 0.41 -0.10 0.00 0.00 175.22 176.11 1th3 n GLY 82 N -1.08 1.36 3.16 4.36 0.00 -0.74 -1.00 105.19 111.26 1th3 n GLY 82 Ca -0.06 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1th3 n GLY 82 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1th3 s TYR 83 N -0.44 0.91 -0.15 1.61 -0.85 0.98 -0.95 117.35 118.46 1th3 s TYR 83 Ca 0.00 -1.22 0.00 0.00 -0.52 0.00 0.00 57.07 55.34 1th3 s TYR 83 Cb 0.00 -0.51 0.02 0.00 0.38 0.00 0.00 41.96 41.85 1th3 s TYR 83 CO 0.00 -0.49 -0.14 0.12 -1.52 0.00 0.00 175.55 173.52 1th3 s PHE 84 N -4.01 2.23 -0.13 -3.49 5.36 -0.25 -1.10 117.98 116.59 1th3 s PHE 84 Ca 0.25 -1.28 -0.02 0.00 -0.96 0.00 0.00 56.93 54.92 1th3 s PHE 84 Cb 0.07 -1.63 -0.02 0.00 -0.34 0.00 0.00 43.02 41.10 1th3 s PHE 84 CO 0.02 -0.69 -0.07 -2.00 -1.46 0.00 0.00 175.22 171.02 1th3 s GLU 85 N 1.47 3.43 -0.16 10.12 2.12 -0.39 -0.62 118.70 134.67 1th3 s GLU 85 Ca 0.05 -0.58 -0.29 0.00 0.36 0.00 0.00 54.97 54.51 1th3 s GLU 85 Cb -0.13 -2.77 -0.01 0.00 0.26 0.00 0.00 34.13 31.48 1th3 s GLU 85 CO -0.11 0.30 1.10 0.08 -0.54 0.00 0.00 175.26 176.10 1th3 s VAL 86 N 0.16 4.56 -0.42 3.70 1.01 -1.15 0.03 120.40 128.28 1th3 s VAL 86 Ca -0.04 1.86 0.17 0.00 0.00 0.00 0.00 61.98 63.97 1th3 s VAL 86 Cb -0.14 -4.20 -0.22 0.00 0.00 0.00 0.00 36.38 31.82 1th3 s VAL 86 CO 0.04 -0.09 0.55 0.35 0.00 0.00 0.00 175.10 175.94 1th3 n THR 87 N 5.02 0.00 -4.25 3.92 -2.24 -0.62 0.76 114.28 116.86 1th3 n THR 87 Ca 0.11 -0.24 -0.16 0.00 -2.27 0.00 0.00 64.05 61.49 1th3 n THR 87 Cb 0.46 0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 69.19 1th3 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1th3 s HIS 88 N -2.84 1.51 -0.37 4.78 3.76 0.12 -4.94 115.29 117.31 1th3 s HIS 88 Ca 0.00 -1.53 -0.06 0.00 -0.15 0.00 0.00 55.06 53.32 1th3 s HIS 88 Cb 0.12 -0.66 0.06 0.00 1.11 0.00 0.00 32.58 33.21 1th3 s HIS 88 CO 0.69 -0.76 0.16 0.34 -0.85 0.00 0.00 174.74 174.32 1th3 s ASP 89 N -3.29 5.37 0.00 1.40 -1.08 -1.26 -4.49 116.67 113.33 1th3 s ASP 89 Ca 0.40 -1.41 0.14 0.00 -0.52 0.00 0.00 52.55 51.16 1th3 s ASP 89 Cb 0.04 -1.89 -0.08 0.00 -1.46 0.00 0.00 42.92 39.54 1th3 s ASP 89 CO 0.21 -0.42 0.67 2.30 0.52 0.00 0.00 175.17 178.45 1th3 n ILE 90 N 4.79 0.00 0.01 4.11 -5.35 -1.26 -4.64 119.36 117.03 1th3 n ILE 90 Ca -0.10 -0.26 0.14 0.00 -0.27 0.00 0.00 62.75 62.25 1th3 n ILE 90 Cb 0.43 1.08 0.21 0.00 -1.74 0.00 0.00 39.64 39.62 1th3 n ILE 90 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1th3 n THR 91 N -0.77 0.00 0.30 7.28 -2.24 -1.26 0.99 114.28 118.58 1th3 n THR 91 Ca 0.04 0.97 0.04 0.00 -2.27 0.00 0.00 64.05 62.83 1th3 n THR 91 Cb 0.25 -1.81 0.19 0.00 -2.10 0.00 0.00 70.33 66.86 1th3 n THR 91 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1th3 n ARG 92 N -2.61 0.00 0.01 -0.78 1.85 -1.26 -3.69 116.66 110.18 1th3 n ARG 92 Ca 0.11 0.35 -0.03 0.00 -1.00 0.00 0.00 57.85 57.28 1th3 n ARG 92 Cb 1.10 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 31.00 1th3 n ARG 92 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1th3 n TYR 93 N -1.50 0.00 -4.86 2.89 4.01 0.28 -4.84 117.16 113.13 1th3 n TYR 93 Ca 0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.43 1th3 n TYR 93 Cb 0.10 -0.15 -0.13 0.00 -0.31 0.00 0.00 39.34 38.85 1th3 n TYR 93 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1th3 s SER 94 N -5.95 4.01 0.00 7.72 0.15 -1.23 -1.12 113.70 117.27 1th3 s SER 94 Ca -0.08 -0.24 0.21 0.00 0.70 0.00 0.00 55.95 56.54 1th3 s SER 94 Cb 0.01 -1.07 0.53 0.00 -1.71 0.00 0.00 66.02 63.78 1th3 s SER 94 CO 0.12 0.29 1.45 2.29 1.20 0.00 0.00 173.24 178.59 1th3 n LYS 95 N 2.67 2.34 -1.64 5.44 2.85 -0.37 -4.02 118.16 125.43 1th3 n LYS 95 Ca -0.17 -2.05 -0.50 0.00 -1.05 0.00 0.00 58.31 54.53 1th3 n LYS 95 Cb 0.52 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 33.37 1th3 n LYS 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1th3 n ALA 96 N 1.22 0.02 0.00 0.58 0.00 -1.24 -4.75 120.51 116.33 1th3 n ALA 96 Ca 0.19 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1th3 n ALA 96 Cb 0.52 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1th3 n ALA 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1th3 n LYS 97 N 3.48 0.00 0.05 0.00 5.02 -1.26 -0.60 118.16 124.84 1th3 n LYS 97 Ca 0.19 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1th3 n LYS 97 Cb 0.22 -1.41 0.23 0.00 -0.02 0.00 0.00 35.03 34.05 1th3 n LYS 97 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1th3 n VAL 98 N -0.90 0.29 0.20 -0.18 3.14 -1.26 -3.63 118.33 115.99 1th3 n VAL 98 Ca 0.00 -0.21 0.04 0.00 -2.96 0.00 0.00 64.34 61.21 1th3 n VAL 98 Cb 0.00 -0.12 -0.06 0.00 -1.06 0.00 0.00 33.84 32.61 1th3 n VAL 98 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1th3 n PHE 99 N -1.97 0.00 0.00 1.45 3.72 0.23 -4.86 117.46 116.02 1th3 n PHE 99 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1th3 n PHE 99 Cb 0.41 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 1th3 n PHE 99 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1th3 n GLU 100 N -1.49 0.00 -5.15 -1.08 1.02 -1.11 -4.30 120.64 108.52 1th3 n GLU 100 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 1th3 n GLU 100 Cb 0.18 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.45 1th3 n GLU 100 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1th3 s HIS 101 N -0.09 2.48 0.16 -0.32 -3.43 -1.26 -4.88 115.29 107.94 1th3 s HIS 101 Ca 0.00 -0.37 -0.34 0.00 -0.80 0.00 0.00 55.06 53.55 1th3 s HIS 101 Cb 0.00 -1.56 -0.16 0.00 -1.43 0.00 0.00 32.58 29.43 1th3 s HIS 101 CO 0.00 0.02 1.20 -0.89 -2.00 0.00 0.00 174.74 173.07 1th3 n ILE 102 N 2.46 0.71 0.00 -5.38 5.41 -1.26 -0.56 119.36 120.74 1th3 n ILE 102 Ca -0.17 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.41 1th3 n ILE 102 Cb 0.52 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.60 1th3 n ILE 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1th3 n GLY 103 N 2.12 3.35 3.63 7.39 0.00 0.23 -4.95 105.19 116.95 1th3 n GLY 103 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 1th3 n GLY 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1th3 n LYS 104 N -1.48 2.23 -3.12 1.61 4.81 0.27 -4.51 118.16 117.97 1th3 n LYS 104 Ca 0.00 0.75 -0.39 0.00 -0.87 0.00 0.00 58.31 57.80 1th3 n LYS 104 Cb 0.00 -2.94 -0.06 0.00 0.02 0.00 0.00 35.03 32.06 1th3 n LYS 104 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1th3 s ARG 105 N 5.15 4.38 -0.17 1.64 6.06 -1.26 -2.94 118.95 131.81 1th3 s ARG 105 Ca 0.96 0.92 -0.01 0.00 -2.50 0.00 0.00 55.73 55.10 1th3 s ARG 105 Cb -0.51 -3.28 0.05 0.00 0.06 0.00 0.00 34.95 31.27 1th3 s ARG 105 CO 0.43 0.52 -0.01 0.99 -2.50 0.00 0.00 175.30 174.73 1th3 s THR 106 N -0.80 0.85 0.22 4.11 2.01 0.21 -4.95 115.64 117.29 1th3 s THR 106 Ca 0.33 -0.59 -0.32 0.00 0.31 0.00 0.00 61.69 61.42 1th3 s THR 106 Cb -0.21 -1.16 -0.14 0.00 0.01 0.00 0.00 72.50 71.00 1th3 s THR 106 CO 0.22 -0.02 1.36 -0.81 -0.69 0.00 0.00 174.62 174.69 1th3 n PRO 107 N 4.95 1.85 -4.33 4.92 -0.04 -1.26 -1.09 135.00 139.99 1th3 n PRO 107 Ca -0.10 0.66 -0.17 0.00 -0.04 0.00 0.00 63.50 63.85 1th3 n PRO 107 Cb 0.47 -2.29 -0.10 0.00 -0.04 0.00 0.00 33.50 31.54 1th3 n PRO 107 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1th3 s ILE 108 N -0.03 1.16 0.01 0.52 -4.36 -0.12 -0.81 121.20 117.57 1th3 s ILE 108 Ca 0.70 -2.06 0.02 0.00 -0.26 0.00 0.00 60.65 59.05 1th3 s ILE 108 Cb -0.70 -2.27 -0.01 0.00 1.25 0.00 0.00 42.46 40.74 1th3 s ILE 108 CO 0.50 -0.40 -0.06 0.00 0.24 0.00 0.00 174.94 175.21 1th3 s ALA 109 N -3.33 0.51 0.01 2.27 0.00 -0.39 -1.79 121.76 119.04 1th3 s ALA 109 Ca 0.26 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.83 1th3 s ALA 109 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1th3 s ALA 109 CO 0.08 0.07 -0.06 0.08 0.00 0.00 0.00 175.76 175.93 1th3 s VAL 110 N -0.53 0.48 -0.11 0.00 1.01 0.25 -0.05 120.40 121.44 1th3 s VAL 110 Ca -0.02 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1th3 s VAL 110 Cb -0.05 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.93 1th3 s VAL 110 CO 0.00 0.01 -0.01 -0.60 0.00 0.00 0.00 175.10 174.50 1th3 s ARG 111 N -0.47 0.88 0.14 2.72 3.52 -0.88 -1.39 118.95 123.47 1th3 s ARG 111 Ca -0.01 -0.11 -0.03 0.00 -0.13 0.00 0.00 55.73 55.45 1th3 s ARG 111 Cb -0.04 -1.39 -0.05 0.00 -1.56 0.00 0.00 34.95 31.91 1th3 s ARG 111 CO -0.00 -0.36 0.34 -0.06 -0.81 0.00 0.00 175.30 174.41 1th3 s PHE 112 N 1.87 3.49 0.13 5.12 0.08 0.50 -2.31 117.98 126.86 1th3 s PHE 112 Ca 0.04 0.45 -0.26 0.00 0.12 0.00 0.00 56.93 57.28 1th3 s PHE 112 Cb -0.13 -1.92 0.07 0.00 -0.57 0.00 0.00 43.02 40.46 1th3 s PHE 112 CO -0.07 0.46 0.97 -1.54 -0.10 0.00 0.00 175.22 174.94 1th3 s SER 113 N -2.60 -0.18 0.00 1.36 1.04 -0.97 -1.07 113.70 111.28 1th3 s SER 113 Ca 0.39 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1th3 s SER 113 Cb -0.12 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1th3 s SER 113 CO 0.26 -0.85 0.00 0.35 0.98 0.00 0.00 173.24 173.98 1th3 n THR 114 N -0.46 0.00 0.12 2.02 -2.24 -0.88 0.38 114.28 113.23 1th3 n THR 114 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1th3 n THR 114 Cb 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1th3 n THR 114 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1th3 n VAL 115 N 0.00 0.17 0.05 2.28 0.31 -1.26 -4.06 118.33 115.83 1th3 n VAL 115 Ca 0.00 0.06 -0.06 0.00 -0.01 0.00 0.00 64.34 64.33 1th3 n VAL 115 Cb 0.00 -0.61 -0.04 0.00 -0.91 0.00 0.00 33.84 32.29 1th3 n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1th3 h ALA 116 N 0.00 -0.23 -1.70 3.52 0.00 -1.94 -0.40 119.26 118.51 1th3 h ALA 116 Ca 0.00 -0.11 -0.62 0.00 0.00 0.00 0.00 54.91 54.17 1th3 h ALA 116 Cb 0.00 0.09 0.12 0.00 0.00 0.00 0.00 17.79 18.00 1th3 h ALA 116 CO 0.00 -0.23 -0.16 0.41 0.00 0.00 0.00 179.25 179.27 1th3 n GLY 117 N 1.07 -0.92 3.94 0.00 0.00 -1.26 -4.83 105.19 103.18 1th3 n GLY 117 Ca -0.04 0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1th3 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1th3 s GLU 118 N -1.40 1.24 0.19 1.61 8.01 -1.26 -3.82 118.70 123.27 1th3 s GLU 118 Ca 0.61 -0.41 0.03 0.00 0.01 0.00 0.00 54.97 55.21 1th3 s GLU 118 Cb -0.75 -1.98 0.51 0.00 -4.31 0.00 0.00 34.13 27.60 1th3 s GLU 118 CO 0.58 -1.97 0.94 0.43 0.01 0.00 0.00 175.26 175.26 1th3 n SER 119 N -3.43 -0.03 -0.26 -0.19 7.64 -1.26 0.13 113.62 116.22 1th3 n SER 119 Ca 0.13 1.01 0.14 0.00 1.01 0.00 0.00 58.87 61.16 1th3 n SER 119 Cb 0.60 -0.39 0.52 0.00 -1.01 0.00 0.00 64.21 63.93 1th3 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1th3 n GLY 120 N -1.28 -0.57 3.42 0.23 0.00 -1.26 -4.74 105.19 101.00 1th3 n GLY 120 Ca 0.15 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1th3 n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1th3 s SER 121 N -2.32 0.14 0.25 1.61 1.04 0.12 -5.02 113.70 109.50 1th3 s SER 121 Ca 0.31 1.18 -0.05 0.00 0.48 0.00 0.00 55.95 57.87 1th3 s SER 121 Cb 0.20 -1.78 -0.06 0.00 0.10 0.00 0.00 66.02 64.48 1th3 s SER 121 CO 0.45 -4.67 0.51 0.00 0.98 0.00 0.00 173.24 170.50 1th3 s ALA 122 N -2.43 3.66 0.07 5.32 0.00 -1.26 -4.84 121.76 122.28 1th3 s ALA 122 Ca 0.69 -0.53 -0.09 0.00 0.00 0.00 0.00 51.96 52.02 1th3 s ALA 122 Cb -0.20 -2.27 -0.26 0.00 0.00 0.00 0.00 23.12 20.40 1th3 s ALA 122 CO 0.61 0.38 1.14 -0.44 0.00 0.00 0.00 175.76 177.46 1th3 h ASP 123 N 2.05 0.65 -0.10 0.00 3.32 -1.46 -3.38 116.42 117.50 1th3 h ASP 123 Ca -0.47 -0.63 -0.33 0.00 0.02 0.00 0.00 57.03 55.62 1th3 h ASP 123 Cb 1.18 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 1th3 h ASP 123 CO 0.68 1.46 0.64 0.35 -1.72 0.00 0.00 179.24 180.65 1th3 n THR 124 N -3.68 3.36 -4.32 0.35 -2.24 -1.26 -4.85 114.28 101.63 1th3 n THR 124 Ca -0.11 -1.90 -0.22 0.00 -2.27 0.00 0.00 64.05 59.55 1th3 n THR 124 Cb 0.99 -2.11 -0.11 0.00 -2.10 0.00 0.00 70.33 67.00 1th3 n THR 124 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1th3 s VAL 125 N 0.98 1.76 0.12 2.28 -7.23 -1.26 -4.30 120.40 112.74 1th3 s VAL 125 Ca 0.67 -1.83 -0.31 0.00 -1.81 0.00 0.00 61.98 58.70 1th3 s VAL 125 Cb 0.29 -1.76 -0.08 0.00 0.56 0.00 0.00 36.38 35.39 1th3 s VAL 125 CO -0.03 -0.27 1.37 -0.60 -0.31 0.00 0.00 175.10 175.26 1th3 s ARG 126 N -2.62 4.33 0.00 4.82 3.52 -1.26 -4.77 118.95 122.98 1th3 s ARG 126 Ca 0.13 2.05 0.00 0.00 -0.13 0.00 0.00 55.73 57.79 1th3 s ARG 126 Cb -0.06 -3.25 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 1th3 s ARG 126 CO 0.06 -0.42 0.00 -3.47 -0.81 0.00 0.00 175.30 170.66 1th3 n ASP 127 N 3.87 0.00 -3.89 -2.12 2.03 -0.83 -5.03 116.55 110.59 1th3 n ASP 127 Ca 0.11 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.12 1th3 n ASP 127 Cb 0.43 0.00 0.26 0.00 -0.72 0.00 0.00 41.12 41.08 1th3 n ASP 127 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1th3 s PRO 128 N -2.00 -1.69 -0.01 -0.67 0.02 -1.26 -4.74 135.00 124.65 1th3 s PRO 128 Ca 0.00 0.23 0.03 0.00 0.02 0.00 0.00 61.00 61.28 1th3 s PRO 128 Cb 0.00 -1.51 -0.01 0.00 0.02 0.00 0.00 34.50 33.00 1th3 s PRO 128 CO 0.00 -4.09 -0.10 1.03 -0.33 0.00 0.00 177.00 173.51 1th3 s ARG 129 N -5.05 0.88 0.03 5.54 1.81 -1.26 -4.19 118.95 116.71 1th3 s ARG 129 Ca 0.69 -0.37 -0.23 0.00 -1.72 0.00 0.00 55.73 54.10 1th3 s ARG 129 Cb -0.15 -0.85 -0.05 0.00 -0.45 0.00 0.00 34.95 33.45 1th3 s ARG 129 CO 0.59 0.21 0.69 0.20 -0.68 0.00 0.00 175.30 176.31 1th3 s GLY 130 N -0.18 2.72 -0.43 -3.53 0.00 0.16 -1.62 107.32 104.44 1th3 s GLY 130 Ca 0.03 0.18 0.05 0.00 0.00 0.00 0.00 44.72 44.98 1th3 s GLY 130 CO -0.00 0.94 0.41 0.33 0.00 0.00 0.00 173.10 174.78 1th3 n PHE 131 N 2.72 -0.34 -3.17 1.90 -0.00 0.34 -2.30 117.46 116.61 1th3 n PHE 131 Ca -0.04 -3.47 -0.39 0.00 -0.00 0.00 0.00 57.45 53.54 1th3 n PHE 131 Cb 0.50 0.01 -0.05 0.00 -0.00 0.00 0.00 39.48 39.94 1th3 n PHE 131 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1th3 s ALA 132 N -0.48 3.41 -0.15 3.13 0.00 -0.98 -2.61 121.76 124.08 1th3 s ALA 132 Ca 0.33 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 52.27 1th3 s ALA 132 Cb 0.07 -2.82 0.02 0.00 0.00 0.00 0.00 23.12 20.39 1th3 s ALA 132 CO -0.17 -0.09 -0.18 0.08 0.00 0.00 0.00 175.76 175.40 1th3 s VAL 133 N 0.80 1.86 -0.32 0.00 1.01 0.11 -2.07 120.40 121.79 1th3 s VAL 133 Ca 0.32 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 1th3 s VAL 133 Cb -0.16 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.54 1th3 s VAL 133 CO 0.14 0.51 0.13 -0.75 0.00 0.00 0.00 175.10 175.13 1th3 s LYS 134 N 1.21 3.14 -0.41 2.72 2.20 0.93 -0.75 119.74 128.78 1th3 s LYS 134 Ca 0.01 -0.84 -0.18 0.00 -0.36 0.00 0.00 55.97 54.60 1th3 s LYS 134 Cb -0.14 -3.52 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 1th3 s LYS 134 CO -0.09 -0.48 0.47 -0.06 -0.36 0.00 0.00 175.35 174.83 1th3 s PHE 135 N 1.56 3.16 -1.11 4.03 0.40 0.10 -1.26 117.98 124.85 1th3 s PHE 135 Ca 0.03 -0.23 -0.20 0.00 -0.60 0.00 0.00 56.93 55.94 1th3 s PHE 135 Cb -0.18 -2.95 0.08 0.00 0.51 0.00 0.00 43.02 40.48 1th3 s PHE 135 CO 0.05 -0.68 1.50 0.71 0.70 0.00 0.00 175.22 177.50 1th3 s TYR 136 N 2.26 2.76 0.63 0.36 2.02 0.01 -1.22 117.35 124.17 1th3 s TYR 136 Ca 0.14 -1.27 0.03 0.00 -0.37 0.00 0.00 57.07 55.61 1th3 s TYR 136 Cb -0.16 -4.64 0.09 0.00 -0.40 0.00 0.00 41.96 36.85 1th3 s TYR 136 CO 0.14 -1.80 0.87 0.95 -1.57 0.00 0.00 175.55 174.14 1th3 s THR 137 N 4.18 2.29 -2.15 -0.71 -4.23 -0.76 -4.38 115.64 109.87 1th3 s THR 137 Ca 0.47 -0.75 0.19 0.00 -1.18 0.00 0.00 61.69 60.42 1th3 s THR 137 Cb 0.00 -2.54 0.48 0.00 1.34 0.00 0.00 72.50 71.78 1th3 s THR 137 CO -0.03 0.00 1.60 -0.62 -0.54 0.00 0.00 174.62 175.03 1th3 n GLU 138 N -2.51 1.42 -1.64 3.99 1.02 -1.26 -2.88 120.64 118.78 1th3 n GLU 138 Ca 0.14 -0.63 -0.14 0.00 -0.02 0.00 0.00 57.16 56.51 1th3 n GLU 138 Cb 0.61 -1.34 0.08 0.00 -0.02 0.00 0.00 31.44 30.76 1th3 n GLU 138 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1th3 n ASP 139 N -0.14 3.77 0.00 1.62 9.92 -1.26 -4.54 116.55 125.92 1th3 n ASP 139 Ca 0.15 -3.68 0.00 0.00 -0.53 0.00 0.00 54.79 50.73 1th3 n ASP 139 Cb 0.22 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 1th3 n ASP 139 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1th3 n GLY 140 N -0.80 -1.75 3.94 0.44 0.00 -1.18 -4.64 105.19 101.20 1th3 n GLY 140 Ca 0.34 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 1th3 n GLY 140 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th3 s ASN 141 N -4.00 6.35 -0.23 1.61 0.01 -1.26 -1.83 114.94 115.60 1th3 s ASN 141 Ca 0.00 0.23 0.01 0.00 -0.71 0.00 0.00 52.86 52.39 1th3 s ASN 141 Cb 0.00 -1.94 0.06 0.00 0.41 0.00 0.00 41.25 39.78 1th3 s ASN 141 CO 0.00 0.05 -0.07 0.86 -1.51 0.00 0.00 177.10 176.43 1th3 s TRP 142 N -1.73 2.45 -0.37 2.20 -0.00 -0.36 -4.13 118.94 117.00 1th3 s TRP 142 Ca 0.35 -1.75 -0.10 0.00 -0.00 0.00 0.00 56.10 54.60 1th3 s TRP 142 Cb -0.11 -1.61 0.03 0.00 -0.00 0.00 0.00 33.47 31.77 1th3 s TRP 142 CO 0.28 -0.77 0.19 -0.51 -0.00 0.00 0.00 176.95 176.15 1th3 s ASP 143 N 1.38 5.68 -0.49 5.86 1.01 -0.91 0.03 116.67 129.23 1th3 s ASP 143 Ca -0.05 -1.01 -0.13 0.00 0.71 0.00 0.00 52.55 52.07 1th3 s ASP 143 Cb -0.18 -2.00 0.11 0.00 1.01 0.00 0.00 42.92 41.86 1th3 s ASP 143 CO -0.07 -0.38 0.40 -0.22 0.21 0.00 0.00 175.17 175.12 1th3 s LEU 144 N 1.53 5.80 -0.76 1.23 2.96 0.07 -4.35 118.68 125.15 1th3 s LEU 144 Ca 0.02 -1.73 -0.17 0.00 -0.22 0.00 0.00 54.13 52.03 1th3 s LEU 144 Cb -0.19 -2.11 0.16 0.00 0.50 0.00 0.00 46.19 44.55 1th3 s LEU 144 CO 0.06 -0.73 0.82 -0.69 -1.32 0.00 0.00 176.35 174.50 1th3 s VAL 145 N 1.50 5.12 0.20 1.68 1.01 -1.26 -0.71 120.40 127.94 1th3 s VAL 145 Ca 0.04 -1.74 0.11 0.00 0.00 0.00 0.00 61.98 60.39 1th3 s VAL 145 Cb -0.27 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.52 1th3 s VAL 145 CO 0.02 -1.17 -0.22 -0.83 0.00 0.00 0.00 175.10 172.90 1th3 s GLY 146 N 3.07 1.66 0.31 4.51 0.00 -1.07 -4.91 107.32 110.89 1th3 s GLY 146 Ca 0.19 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1th3 s GLY 146 CO -0.04 -1.69 0.42 0.70 0.00 0.00 0.00 173.10 172.50 1th3 n ASN 147 N 0.11 0.63 -0.62 1.64 4.13 -0.95 0.13 115.26 120.33 1th3 n ASN 147 Ca -0.11 -1.52 0.13 0.00 1.68 0.00 0.00 54.58 54.76 1th3 n ASN 147 Cb 0.57 -0.27 0.34 0.00 -1.54 0.00 0.00 39.78 38.88 1th3 n ASN 147 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1th3 n ASN 148 N -2.93 1.99 -4.62 6.41 2.04 -0.64 -0.45 115.26 117.06 1th3 n ASN 148 Ca 0.07 -1.61 -0.25 0.00 -0.44 0.00 0.00 54.58 52.35 1th3 n ASN 148 Cb 0.26 0.04 -0.08 0.00 -2.53 0.00 0.00 39.78 37.47 1th3 n ASN 148 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1th3 s THR 149 N -2.08 3.40 -0.50 5.53 -1.32 -1.26 -4.69 115.64 114.72 1th3 s THR 149 Ca 0.32 -1.70 0.23 0.00 -1.21 0.00 0.00 61.69 59.33 1th3 s THR 149 Cb 0.20 -2.74 -0.06 0.00 -1.51 0.00 0.00 72.50 68.40 1th3 s THR 149 CO 0.36 -0.21 1.08 -0.81 -2.21 0.00 0.00 174.62 172.83 1th3 n PRO 150 N -0.34 0.38 -4.05 7.08 -0.04 -1.26 -4.47 135.00 132.31 1th3 n PRO 150 Ca -0.09 0.04 -0.27 0.00 -0.04 0.00 0.00 63.50 63.14 1th3 n PRO 150 Cb 0.57 -1.67 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 1th3 n PRO 150 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1th3 n ILE 151 N -2.18 0.00 -4.12 0.52 -5.35 -1.26 -4.20 119.36 102.76 1th3 n ILE 151 Ca 0.01 -2.03 -0.12 0.00 -0.27 0.00 0.00 62.75 60.34 1th3 n ILE 151 Cb 0.47 0.23 -0.07 0.00 -1.74 0.00 0.00 39.64 38.53 1th3 n ILE 151 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1th3 s PHE 152 N -2.53 0.94 0.26 4.28 5.36 -1.05 -4.97 117.98 120.28 1th3 s PHE 152 Ca 0.10 -1.18 0.16 0.00 -0.96 0.00 0.00 56.93 55.05 1th3 s PHE 152 Cb -0.01 -0.26 0.69 0.00 -0.34 0.00 0.00 43.02 43.11 1th3 s PHE 152 CO 0.06 -0.86 1.76 0.74 -1.46 0.00 0.00 175.22 175.47 1th3 h PHE 153 N 2.38 0.00 -4.08 10.12 -1.00 -1.89 -3.40 116.94 119.07 1th3 h PHE 153 Ca -0.31 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.26 1th3 h PHE 153 Cb 1.25 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.66 1th3 h PHE 153 CO 0.67 0.40 -0.67 0.96 -1.61 0.00 0.00 178.31 178.07 1th3 s ILE 154 N -3.80 0.41 -0.20 -0.55 -4.36 -1.26 -2.80 121.20 108.64 1th3 s ILE 154 Ca -0.01 -1.92 0.09 0.00 -0.26 0.00 0.00 60.65 58.55 1th3 s ILE 154 Cb 0.12 -1.93 0.19 0.00 1.25 0.00 0.00 42.46 42.10 1th3 s ILE 154 CO 0.70 -0.62 1.13 -2.11 0.24 0.00 0.00 174.94 174.28 1th3 n ARG 155 N -0.10 2.48 -3.59 0.37 1.85 -1.26 -4.61 116.66 111.79 1th3 n ARG 155 Ca -0.08 -2.04 -0.16 0.00 -1.00 0.00 0.00 57.85 54.56 1th3 n ARG 155 Cb 0.63 -1.28 -0.14 0.00 -1.05 0.00 0.00 32.46 30.62 1th3 n ARG 155 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1th3 s ASP 156 N -1.64 0.83 0.40 2.89 -1.08 -1.26 -4.10 116.67 112.70 1th3 s ASP 156 Ca 0.17 0.22 0.25 0.00 -0.52 0.00 0.00 52.55 52.67 1th3 s ASP 156 Cb 0.14 0.49 1.37 0.00 -1.46 0.00 0.00 42.92 43.46 1th3 s ASP 156 CO 0.04 -0.27 1.60 0.00 0.52 0.00 0.00 175.17 177.06 1th3 h ALA 157 N 8.31 2.44 0.00 3.66 0.00 -1.87 0.26 119.26 132.06 1th3 h ALA 157 Ca -0.15 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1th3 h ALA 157 Cb 1.13 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1th3 h ALA 157 CO 0.19 -1.14 0.17 1.28 0.00 0.00 0.00 179.25 179.75 1th3 n LEU 158 N -4.97 0.04 -0.23 0.00 4.77 -1.26 0.07 117.00 115.41 1th3 n LEU 158 Ca 0.38 0.37 0.04 0.00 -0.03 0.00 0.00 56.01 56.76 1th3 n LEU 158 Cb 1.35 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 42.09 1th3 n LEU 158 CO 0.11 -0.38 0.27 0.18 -1.33 0.00 0.00 177.39 176.24 1th3 n LEU 159 N -1.42 1.30 -0.01 2.23 4.32 0.90 -4.68 117.00 119.64 1th3 n LEU 159 Ca -0.00 -0.86 -0.13 0.00 -0.02 0.00 0.00 56.01 55.00 1th3 n LEU 159 Cb 0.17 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.88 1th3 n LEU 159 CO 0.01 0.26 0.64 0.15 -1.22 0.00 0.00 177.39 177.24 1th3 h PHE 160 N 1.15 0.03 -0.67 -1.77 3.57 -0.48 0.00 116.94 118.77 1th3 h PHE 160 Ca 0.00 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.61 1th3 h PHE 160 Cb 0.29 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 38.94 1th3 h PHE 160 CO 0.00 0.48 0.22 -1.35 -2.23 0.00 0.00 178.31 175.43 1th3 h PRO 161 N -0.44 0.35 -0.59 6.41 0.11 -1.84 -0.28 132.00 135.72 1th3 h PRO 161 Ca 0.00 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1th3 h PRO 161 Cb 0.48 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 1th3 h PRO 161 CO 0.00 0.23 0.19 0.77 -0.21 0.00 0.00 178.00 178.98 1th3 h SER 162 N 0.36 0.86 0.07 -2.05 0.02 -1.84 -2.08 113.55 108.91 1th3 h SER 162 Ca 0.36 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1th3 h SER 162 Cb 0.52 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1th3 h SER 162 CO -0.39 0.84 -0.14 0.15 -1.14 0.00 0.00 176.83 176.15 1th3 h PHE 163 N 0.84 -0.36 0.00 3.45 3.57 0.37 -0.85 116.94 123.96 1th3 h PHE 163 Ca 0.19 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1th3 h PHE 163 Cb 0.29 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 1th3 h PHE 163 CO 0.02 -0.21 -0.06 0.82 -2.23 0.00 0.00 178.31 176.65 1th3 h ILE 164 N -0.27 0.87 0.12 1.41 1.08 -1.04 -1.45 117.51 118.23 1th3 h ILE 164 Ca 0.02 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1th3 h ILE 164 Cb 0.29 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 1th3 h ILE 164 CO -0.08 0.06 -0.06 0.45 -0.69 0.00 0.00 178.15 177.83 1th3 h HIS 165 N 0.00 -0.14 -0.85 1.37 3.86 -0.59 -2.19 115.15 116.60 1th3 h HIS 165 Ca -0.00 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.31 1th3 h HIS 165 Cb 0.12 0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.57 1th3 h HIS 165 CO 0.00 0.29 0.55 0.66 0.86 0.00 0.00 177.93 180.29 1th3 h SER 166 N -0.64 0.71 1.34 2.45 4.64 -0.70 -1.45 113.55 119.90 1th3 h SER 166 Ca -0.02 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1th3 h SER 166 Cb 0.50 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1th3 h SER 166 CO 0.03 0.41 0.00 1.56 -0.87 0.00 0.00 176.83 177.96 1th3 h GLN 167 N 0.78 0.00 0.00 4.77 1.08 -1.21 -3.24 115.11 117.29 1th3 h GLN 167 Ca 0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.60 1th3 h GLN 167 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1th3 h GLN 167 CO -0.17 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.34 1th3 n LYS 168 N -3.09 3.83 -2.77 1.46 5.02 -0.54 -4.92 118.16 117.15 1th3 n LYS 168 Ca 0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.99 1th3 n LYS 168 Cb 0.38 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.34 1th3 n LYS 168 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1th3 s ARG 169 N 4.16 3.96 0.21 1.97 0.52 -1.26 -4.26 118.95 124.25 1th3 s ARG 169 Ca 0.00 0.78 -0.30 0.00 -0.52 0.00 0.00 55.73 55.69 1th3 s ARG 169 Cb 0.00 -2.28 -0.10 0.00 0.52 0.00 0.00 34.95 33.09 1th3 s ARG 169 CO 0.00 -0.07 1.45 1.21 0.02 0.00 0.00 175.30 177.91 1th3 s ASN 170 N -2.76 6.69 0.43 0.23 2.47 0.14 -4.88 114.94 117.26 1th3 s ASN 170 Ca 0.56 2.58 0.19 0.00 0.42 0.00 0.00 52.86 56.61 1th3 s ASN 170 Cb -0.10 -2.61 1.03 0.00 -1.45 0.00 0.00 41.25 38.12 1th3 s ASN 170 CO 0.25 -0.70 1.52 1.55 -3.72 0.00 0.00 177.10 176.00 1th3 h PRO 171 N 5.68 0.00 0.00 0.43 0.13 -1.96 -1.66 132.00 134.62 1th3 h PRO 171 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1th3 h PRO 171 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1th3 h PRO 171 CO 0.82 0.00 -1.20 0.94 -0.23 0.00 0.00 178.00 178.33 1th3 n GLN 172 N -2.33 0.09 0.08 0.86 7.27 -1.26 -4.74 117.38 117.34 1th3 n GLN 172 Ca -0.01 0.02 0.11 0.00 0.07 0.00 0.00 57.00 57.19 1th3 n GLN 172 Cb 0.32 -1.07 0.01 0.00 2.41 0.00 0.00 30.24 31.91 1th3 n GLN 172 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1th3 n THR 173 N -2.60 0.49 -1.10 1.69 -2.24 -1.23 -4.95 114.28 104.34 1th3 n THR 173 Ca -0.06 -0.48 -0.03 0.00 -2.27 0.00 0.00 64.05 61.20 1th3 n THR 173 Cb 0.56 -0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.55 1th3 n THR 173 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1th3 n HIS 174 N -2.50 0.00 -3.33 4.78 -0.00 -0.63 -4.96 115.22 108.58 1th3 n HIS 174 Ca 0.00 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.00 1th3 n HIS 174 Cb 0.53 -1.36 -0.00 0.00 -0.12 0.00 0.00 29.99 29.03 1th3 n HIS 174 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1th3 s LEU 175 N -0.79 3.81 0.25 0.27 1.43 -1.26 -4.62 118.68 117.77 1th3 s LEU 175 Ca 0.00 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.49 1th3 s LEU 175 Cb 0.00 -2.65 -0.09 0.00 0.03 0.00 0.00 46.19 43.48 1th3 s LEU 175 CO 0.00 -0.55 1.23 -0.54 0.23 0.00 0.00 176.35 176.72 1th3 s LYS 176 N -4.22 4.46 -0.30 1.70 -0.14 -1.26 -0.68 119.74 119.31 1th3 s LYS 176 Ca 0.48 2.00 0.03 0.00 -1.36 0.00 0.00 55.97 57.12 1th3 s LYS 176 Cb -0.09 -3.17 0.08 0.00 -1.68 0.00 0.00 37.83 32.96 1th3 s LYS 176 CO 0.31 -0.09 -0.04 0.34 -0.76 0.00 0.00 175.35 175.12 1th3 s ASP 177 N -0.22 4.62 0.53 2.83 -1.08 -1.26 -4.90 116.67 117.19 1th3 s ASP 177 Ca 0.51 -1.70 0.29 0.00 -0.52 0.00 0.00 52.55 51.13 1th3 s ASP 177 Cb -0.35 -1.60 1.47 0.00 -1.46 0.00 0.00 42.92 40.98 1th3 s ASP 177 CO 0.42 -0.28 2.06 1.55 0.52 0.00 0.00 175.17 179.45 1th3 h PRO 178 N 7.73 0.00 -0.09 4.34 0.13 -1.92 -0.79 132.00 141.40 1th3 h PRO 178 Ca -0.13 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.82 1th3 h PRO 178 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1th3 h PRO 178 CO 0.49 0.11 -0.70 -0.44 -0.23 0.00 0.00 178.00 177.23 1th3 h ASP 179 N 0.00 0.49 -0.02 1.44 3.32 -1.93 -1.80 116.42 117.91 1th3 h ASP 179 Ca -0.00 -0.31 -0.06 0.00 0.02 0.00 0.00 57.03 56.68 1th3 h ASP 179 Cb 0.37 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1th3 h ASP 179 CO 0.01 1.04 -0.20 0.24 -1.72 0.00 0.00 179.24 178.61 1th3 h MET 180 N 0.29 0.18 0.01 3.56 2.86 -1.67 -1.41 114.93 118.75 1th3 h MET 180 Ca -0.03 -0.16 0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1th3 h MET 180 Cb 1.27 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.92 1th3 h MET 180 CO 0.12 0.85 -0.37 0.28 1.06 0.00 0.00 176.91 178.85 1th3 h VAL 181 N -0.43 0.23 0.05 -2.22 2.07 -1.17 -2.82 116.25 111.96 1th3 h VAL 181 Ca -0.02 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.26 1th3 h VAL 181 Cb 0.90 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1th3 h VAL 181 CO 0.04 0.00 -1.15 -0.50 0.02 0.00 0.00 177.57 175.99 1th3 h TRP 182 N -0.53 0.19 -0.92 1.57 4.06 -1.45 -2.77 115.95 116.10 1th3 h TRP 182 Ca 0.05 -0.14 0.01 0.00 2.06 0.00 0.00 58.89 60.87 1th3 h TRP 182 Cb 0.61 -0.01 -0.05 0.00 -1.00 0.00 0.00 29.16 28.72 1th3 h TRP 182 CO -0.38 1.12 0.61 0.22 -3.56 0.00 0.00 178.44 176.45 1th3 h ASP 183 N 0.03 1.06 0.50 -3.49 3.58 -1.28 0.13 116.42 116.95 1th3 h ASP 183 Ca -0.08 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.32 1th3 h ASP 183 Cb 1.86 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.65 1th3 h ASP 183 CO 0.15 0.77 -0.24 0.15 -2.88 0.00 0.00 179.24 177.19 1th3 h PHE 184 N 1.25 -0.62 -0.68 0.28 3.57 -1.56 -2.49 116.94 116.68 1th3 h PHE 184 Ca 0.34 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.97 1th3 h PHE 184 Cb -0.14 0.20 -0.11 0.00 2.79 0.00 0.00 35.95 38.70 1th3 h PHE 184 CO -0.01 -0.33 0.11 -1.49 -2.23 0.00 0.00 178.31 174.36 1th3 h TRP 185 N -1.11 0.15 -0.56 0.41 6.55 -1.41 -0.91 115.95 119.07 1th3 h TRP 185 Ca -0.07 0.04 0.03 0.00 0.95 0.00 0.00 58.89 59.84 1th3 h TRP 185 Cb 0.57 0.04 -0.04 0.00 -0.86 0.00 0.00 29.16 28.87 1th3 h TRP 185 CO 0.01 -0.11 0.34 0.66 -1.05 0.00 0.00 178.44 178.29 1th3 h SER 186 N 0.21 0.55 0.43 -3.49 4.64 -0.77 -0.61 113.55 114.50 1th3 h SER 186 Ca 0.37 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1th3 h SER 186 Cb 0.62 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1th3 h SER 186 CO -0.51 0.38 0.00 0.18 -0.87 0.00 0.00 176.83 176.01 1th3 n LEU 187 N -4.77 0.00 -3.52 5.97 4.77 -0.41 -3.87 117.00 115.17 1th3 n LEU 187 Ca 0.05 0.48 -0.27 0.00 -0.03 0.00 0.00 56.01 56.24 1th3 n LEU 187 Cb 0.08 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1th3 n LEU 187 CO 0.32 -0.26 -0.20 0.54 -1.33 0.00 0.00 177.39 176.46 1th3 n ARG 188 N -1.48 0.91 0.29 3.23 5.12 -0.24 -4.95 116.66 119.54 1th3 n ARG 188 Ca 0.03 -3.68 0.17 0.00 -1.93 0.00 0.00 57.85 52.44 1th3 n ARG 188 Cb 0.15 -1.84 0.86 0.00 -1.16 0.00 0.00 32.46 30.47 1th3 n ARG 188 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1th3 h PRO 189 N 5.25 0.00 0.00 5.56 0.11 -1.67 -1.10 132.00 140.16 1th3 h PRO 189 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1th3 h PRO 189 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1th3 h PRO 189 CO 0.52 0.00 0.09 1.05 -0.21 0.00 0.00 178.00 179.45 1th3 h GLU 190 N 0.00 0.00 0.00 1.05 9.09 -1.85 0.31 114.58 123.18 1th3 h GLU 190 Ca 0.04 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.38 1th3 h GLU 190 Cb 0.62 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.71 1th3 h GLU 190 CO -0.00 0.00 -0.33 0.66 0.05 0.00 0.00 179.01 179.39 1th3 h SER 191 N 0.00 0.00 -0.93 3.06 4.64 -1.02 -3.37 113.55 115.92 1th3 h SER 191 Ca 0.00 0.00 0.36 0.00 -0.47 0.00 0.00 61.79 61.68 1th3 h SER 191 Cb 0.18 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.13 1th3 h SER 191 CO 0.00 0.32 0.54 0.18 -0.87 0.00 0.00 176.83 177.00 1th3 n LEU 192 N -3.17 0.25 0.34 5.97 4.77 0.11 -1.30 117.00 123.96 1th3 n LEU 192 Ca 0.03 1.30 -0.13 0.00 -0.03 0.00 0.00 56.01 57.17 1th3 n LEU 192 Cb 0.66 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1th3 n LEU 192 CO 0.38 -1.44 0.43 -0.74 -1.33 0.00 0.00 177.39 174.69 1th3 h HIS 193 N 0.00 -0.81 0.00 -1.77 2.76 -1.79 -2.36 115.15 111.18 1th3 h HIS 193 Ca 0.71 -0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.82 1th3 h HIS 193 Cb 2.03 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 31.25 1th3 h HIS 193 CO -0.01 -0.51 -0.22 0.37 -1.30 0.00 0.00 177.93 176.27 1th3 h GLN 194 N -1.02 0.00 -0.06 5.26 5.75 -1.57 -1.34 115.11 122.13 1th3 h GLN 194 Ca -0.09 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.33 1th3 h GLN 194 Cb 0.67 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 1th3 h GLN 194 CO 0.15 0.22 -0.34 0.28 -2.65 0.00 0.00 178.83 176.49 1th3 h VAL 195 N 0.00 1.27 0.26 2.39 2.07 -1.20 0.11 116.25 121.15 1th3 h VAL 195 Ca -0.00 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1th3 h VAL 195 Cb 0.49 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1th3 h VAL 195 CO 0.03 0.37 -0.12 0.28 0.02 0.00 0.00 177.57 178.15 1th3 h SER 196 N 0.10 -0.29 -0.81 0.57 0.02 -0.70 -2.25 113.55 110.19 1th3 h SER 196 Ca 0.01 -0.23 0.15 0.00 -0.84 0.00 0.00 61.79 60.89 1th3 h SER 196 Cb 0.66 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 1th3 h SER 196 CO 0.05 0.19 0.54 0.15 -1.14 0.00 0.00 176.83 176.62 1th3 h PHE 197 N -0.92 0.60 0.01 3.45 3.04 -1.26 -2.73 116.94 119.13 1th3 h PHE 197 Ca -0.04 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 1th3 h PHE 197 Cb 0.50 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.82 1th3 h PHE 197 CO 0.05 0.22 -0.00 1.25 -2.02 0.00 0.00 178.31 177.81 1th3 h LEU 198 N 0.51 -0.01 -0.16 0.59 5.85 -0.69 -3.02 115.31 118.39 1th3 h LEU 198 Ca 0.40 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1th3 h LEU 198 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1th3 h LEU 198 CO -0.15 0.40 0.00 0.49 -0.34 0.00 0.00 178.44 178.84 1th3 n PHE 199 N -4.90 0.00 -2.77 1.25 3.01 -0.85 -3.23 117.46 109.96 1th3 n PHE 199 Ca -0.08 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.17 1th3 n PHE 199 Cb 0.22 -0.01 0.06 0.00 -0.01 0.00 0.00 39.48 39.73 1th3 n PHE 199 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1th3 s SER 200 N -0.98 5.07 0.66 4.37 1.04 -1.11 -4.27 113.70 118.47 1th3 s SER 200 Ca 0.00 -0.35 0.21 0.00 0.48 0.00 0.00 55.95 56.29 1th3 s SER 200 Cb 0.00 -0.37 1.15 0.00 0.10 0.00 0.00 66.02 66.90 1th3 s SER 200 CO 0.00 -1.30 1.64 0.44 0.98 0.00 0.00 173.24 175.00 1th3 h ASP 201 N 0.04 0.00 0.22 7.02 3.32 -1.87 0.78 116.42 125.94 1th3 h ASP 201 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1th3 h ASP 201 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1th3 h ASP 201 CO 0.45 0.00 -0.08 0.54 -1.72 0.00 0.00 179.24 178.43 1th3 n ARG 202 N -2.76 0.94 0.21 3.56 5.12 -1.26 -3.77 116.66 118.69 1th3 n ARG 202 Ca -0.01 -0.36 0.15 0.00 -1.93 0.00 0.00 57.85 55.69 1th3 n ARG 202 Cb 0.56 -1.49 0.67 0.00 -1.16 0.00 0.00 32.46 31.03 1th3 n ARG 202 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1th3 h GLY 203 N 4.95 0.00 -6.43 -0.13 0.00 0.63 -3.36 103.07 98.73 1th3 h GLY 203 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 1th3 h GLY 203 CO 0.00 0.00 -0.76 -0.42 0.00 0.00 0.00 176.54 175.36 1th3 s ILE 204 N -3.57 -0.12 0.44 2.60 1.01 -1.25 -1.95 121.20 118.35 1th3 s ILE 204 Ca 0.01 -1.34 -0.21 0.00 0.00 0.00 0.00 60.65 59.10 1th3 s ILE 204 Cb 0.09 -0.86 -0.10 0.00 0.01 0.00 0.00 42.46 41.60 1th3 s ILE 204 CO 0.39 -0.77 0.98 -2.16 0.00 0.00 0.00 174.94 173.38 1th3 s PRO 205 N 1.22 4.13 -0.99 2.79 0.04 -1.26 -0.27 135.00 140.66 1th3 s PRO 205 Ca 0.18 1.20 -0.23 0.00 0.04 0.00 0.00 61.00 62.19 1th3 s PRO 205 Cb -0.18 -2.19 0.02 0.00 0.04 0.00 0.00 34.50 32.19 1th3 s PRO 205 CO -0.01 -0.12 1.61 0.34 0.04 0.00 0.00 177.00 178.85 1th3 s ASP 206 N -2.09 6.08 0.05 6.66 -1.08 0.53 -4.61 116.67 122.22 1th3 s ASP 206 Ca 0.63 -1.23 0.00 0.00 -0.52 0.00 0.00 52.55 51.43 1th3 s ASP 206 Cb -0.12 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 1th3 s ASP 206 CO 0.16 -1.89 0.00 0.61 0.52 0.00 0.00 175.17 174.57 1th3 n GLY 207 N 6.85 -1.68 0.13 2.66 0.00 -1.26 -4.04 105.19 107.85 1th3 n GLY 207 Ca 0.35 -1.47 0.05 0.00 0.00 0.00 0.00 46.02 44.95 1th3 n GLY 207 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1th3 h HIS 208 N -0.17 0.00 0.00 1.61 3.86 -1.87 -3.32 115.15 115.26 1th3 h HIS 208 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1th3 h HIS 208 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1th3 h HIS 208 CO -0.22 0.37 0.00 0.00 0.86 0.00 0.00 177.93 178.95 1th3 h ARG 209 N 0.00 0.00 -1.09 2.45 3.08 -1.96 -3.26 114.38 113.61 1th3 h ARG 209 Ca -0.05 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.38 1th3 h ARG 209 Cb 1.33 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 31.01 1th3 h ARG 209 CO 0.04 0.00 -0.06 0.72 -1.07 0.00 0.00 179.97 179.60 1th3 n HIS 210 N -2.68 3.03 -3.85 3.04 8.25 -1.25 -4.32 115.22 117.44 1th3 n HIS 210 Ca 0.01 -2.63 -0.09 0.00 -0.26 0.00 0.00 57.72 54.76 1th3 n HIS 210 Cb 0.28 -0.75 -0.07 0.00 1.12 0.00 0.00 29.99 30.57 1th3 n HIS 210 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1th3 s MET 211 N -3.72 0.83 0.55 -0.41 0.23 -1.23 -2.49 119.30 113.05 1th3 s MET 211 Ca 0.55 -0.91 -0.03 0.00 -1.03 0.00 0.00 55.69 54.27 1th3 s MET 211 Cb 0.44 0.34 0.01 0.00 -1.53 0.00 0.00 34.83 34.09 1th3 s MET 211 CO -0.06 -0.26 0.83 -0.51 -2.03 0.00 0.00 175.02 172.98 1th3 s ASP 212 N -2.75 5.56 -0.07 -1.18 1.01 -1.26 -4.29 116.67 113.70 1th3 s ASP 212 Ca 0.03 0.48 0.03 0.00 0.71 0.00 0.00 52.55 53.80 1th3 s ASP 212 Cb 0.04 -1.50 0.01 0.00 1.01 0.00 0.00 42.92 42.47 1th3 s ASP 212 CO -0.10 -1.01 -0.16 -0.83 0.21 0.00 0.00 175.17 173.29 1th3 s GLY 213 N -4.31 0.93 0.03 0.21 0.00 -0.41 -4.28 107.32 99.48 1th3 s GLY 213 Ca 0.53 -0.58 0.06 0.00 0.00 0.00 0.00 44.72 44.73 1th3 s GLY 213 CO 0.42 -0.07 -0.18 -0.19 0.00 0.00 0.00 173.10 173.08 1th3 s TYR 214 N 0.47 1.61 -0.94 1.90 1.51 0.40 -0.75 117.35 121.54 1th3 s TYR 214 Ca -0.13 -0.35 0.26 0.00 -1.01 0.00 0.00 57.07 55.83 1th3 s TYR 214 Cb -0.15 -0.97 1.06 0.00 -0.11 0.00 0.00 41.96 41.78 1th3 s TYR 214 CO 0.04 0.05 1.82 0.41 -1.11 0.00 0.00 175.55 176.77 1th3 n GLY 215 N 2.02 -1.43 5.02 0.71 0.00 -1.03 -2.24 105.19 108.25 1th3 n GLY 215 Ca -0.17 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1th3 n GLY 215 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1th3 n SER 216 N -1.63 0.00 -4.59 1.61 7.64 -1.26 -4.79 113.62 110.60 1th3 n SER 216 Ca 0.06 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.63 1th3 n SER 216 Cb 0.32 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.69 1th3 n SER 216 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1th3 n HIS 217 N 0.00 0.15 -3.21 1.43 8.25 -1.26 -4.83 115.22 115.75 1th3 n HIS 217 Ca 0.00 0.29 -0.38 0.00 -0.26 0.00 0.00 57.72 57.38 1th3 n HIS 217 Cb 0.00 -1.92 -0.06 0.00 1.12 0.00 0.00 29.99 29.13 1th3 n HIS 217 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1th3 s THR 218 N -2.56 4.66 0.00 1.59 2.01 -1.26 -4.61 115.64 115.47 1th3 s THR 218 Ca 0.65 1.25 0.00 0.00 0.31 0.00 0.00 61.69 63.91 1th3 s THR 218 Cb -0.23 -3.91 0.00 0.00 0.01 0.00 0.00 72.50 68.37 1th3 s THR 218 CO 0.61 0.45 0.00 0.49 -0.69 0.00 0.00 174.62 175.47 1th3 n PHE 219 N 1.39 0.00 -3.86 4.92 3.72 0.47 -3.91 117.46 120.20 1th3 n PHE 219 Ca -0.07 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.21 1th3 n PHE 219 Cb 0.51 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.92 1th3 n PHE 219 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1th3 s LYS 220 N 0.31 0.13 -0.07 -1.08 2.20 -0.37 -1.67 119.74 119.20 1th3 s LYS 220 Ca 0.00 0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.64 1th3 s LYS 220 Cb 0.00 0.06 0.02 0.00 -1.51 0.00 0.00 37.83 36.39 1th3 s LYS 220 CO 0.00 -0.02 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.35 1th3 s LEU 221 N -0.18 1.57 -0.12 5.43 1.43 0.29 -1.94 118.68 125.16 1th3 s LEU 221 Ca -0.02 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1th3 s LEU 221 Cb -0.02 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.39 1th3 s LEU 221 CO 0.00 0.01 -0.22 -0.69 0.23 0.00 0.00 176.35 175.68 1th3 s VAL 222 N 0.83 2.11 0.00 -1.59 1.01 -0.56 0.21 120.40 122.41 1th3 s VAL 222 Ca -0.12 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.88 1th3 s VAL 222 Cb -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1th3 s VAL 222 CO 0.02 0.55 0.00 -0.46 0.00 0.00 0.00 175.10 175.21 1th3 n ASN 223 N 3.83 0.00 -0.15 3.32 0.23 0.32 -1.24 115.26 121.58 1th3 n ASN 223 Ca -0.20 -0.93 -0.06 0.00 -0.53 0.00 0.00 54.58 52.87 1th3 n ASN 223 Cb 0.52 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.34 1th3 n ASN 223 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1th3 h ALA 224 N -1.07 1.03 0.00 -2.53 0.00 -1.88 -2.44 119.26 112.38 1th3 h ALA 224 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1th3 h ALA 224 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1th3 h ALA 224 CO 0.00 0.61 0.00 -0.44 0.00 0.00 0.00 179.25 179.42 1th3 h ASP 225 N 0.84 0.00 0.00 0.00 3.32 -1.97 -3.46 116.42 115.15 1th3 h ASP 225 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1th3 h ASP 225 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1th3 h ASP 225 CO 0.02 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 1th3 n GLY 226 N 0.40 0.93 3.77 2.75 0.00 -0.92 -5.07 105.19 107.06 1th3 n GLY 226 Ca 0.03 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1th3 n GLY 226 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1th3 s GLU 227 N -0.56 4.26 0.27 1.61 2.12 -1.26 -4.80 118.70 120.34 1th3 s GLU 227 Ca 0.00 0.66 0.09 0.00 0.36 0.00 0.00 54.97 56.08 1th3 s GLU 227 Cb 0.00 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1th3 s GLU 227 CO 0.00 0.41 0.01 0.00 -0.54 0.00 0.00 175.26 175.13 1th3 s ALA 228 N -0.28 3.19 -0.00 6.30 0.00 -1.25 -0.52 121.76 129.20 1th3 s ALA 228 Ca 0.29 -1.64 -0.17 0.00 0.00 0.00 0.00 51.96 50.44 1th3 s ALA 228 Cb -0.18 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.17 1th3 s ALA 228 CO 0.16 0.26 0.37 0.14 0.00 0.00 0.00 175.76 176.69 1th3 s VAL 229 N -2.32 0.05 0.10 0.00 -7.23 0.13 -4.81 120.40 106.33 1th3 s VAL 229 Ca 0.32 -0.45 -0.16 0.00 -1.81 0.00 0.00 61.98 59.88 1th3 s VAL 229 Cb -0.06 -0.75 -0.07 0.00 0.56 0.00 0.00 36.38 36.06 1th3 s VAL 229 CO 0.20 -0.25 0.53 -0.31 -0.31 0.00 0.00 175.10 174.96 1th3 s TYR 230 N -1.65 3.68 0.16 2.82 2.02 0.18 0.11 117.35 124.68 1th3 s TYR 230 Ca -0.11 1.10 -0.11 0.00 -0.37 0.00 0.00 57.07 57.58 1th3 s TYR 230 Cb -0.03 -2.39 0.00 0.00 -0.40 0.00 0.00 41.96 39.14 1th3 s TYR 230 CO 0.03 0.51 0.33 0.00 -1.57 0.00 0.00 175.55 174.85 1th3 s LYS 232 N -3.93 1.47 -0.07 0.00 -0.14 -0.46 0.18 119.74 116.78 1th3 s LYS 232 Ca 0.14 -0.82 -0.05 0.00 -1.36 0.00 0.00 55.97 53.88 1th3 s LYS 232 Cb 0.02 -1.50 -0.04 0.00 -1.68 0.00 0.00 37.83 34.64 1th3 s LYS 232 CO -0.02 0.40 0.14 -0.06 -0.76 0.00 0.00 175.35 175.05 1th3 s PHE 233 N -0.64 3.53 -0.04 3.18 0.08 -1.26 -0.34 117.98 122.50 1th3 s PHE 233 Ca 0.07 0.43 -0.01 0.00 0.12 0.00 0.00 56.93 57.54 1th3 s PHE 233 Cb -0.08 -1.88 0.03 0.00 -0.57 0.00 0.00 43.02 40.52 1th3 s PHE 233 CO 0.01 0.68 0.06 -1.01 -0.10 0.00 0.00 175.22 174.86 1th3 s HIS 234 N -1.13 -0.01 -0.42 0.36 3.76 0.39 -2.45 115.29 115.80 1th3 s HIS 234 Ca 0.19 0.25 0.02 0.00 -0.15 0.00 0.00 55.06 55.37 1th3 s HIS 234 Cb -0.12 -0.28 0.13 0.00 1.11 0.00 0.00 32.58 33.42 1th3 s HIS 234 CO 0.09 -0.14 0.22 1.52 -0.85 0.00 0.00 174.74 175.58 1th3 s TYR 235 N 1.45 1.91 0.57 1.40 1.13 0.07 0.32 117.35 124.21 1th3 s TYR 235 Ca -0.05 -2.31 -0.18 0.00 -1.41 0.00 0.00 57.07 53.13 1th3 s TYR 235 Cb -0.12 -1.84 -0.04 0.00 -1.10 0.00 0.00 41.96 38.85 1th3 s TYR 235 CO -0.04 -0.80 1.09 0.15 -2.51 0.00 0.00 175.55 173.44 1th3 s LYS 236 N 0.56 3.31 0.14 -3.49 -0.14 -0.12 -1.29 119.74 118.70 1th3 s LYS 236 Ca 0.17 1.40 -0.25 0.00 -1.36 0.00 0.00 55.97 55.93 1th3 s LYS 236 Cb -0.24 -2.02 -0.07 0.00 -1.68 0.00 0.00 37.83 33.82 1th3 s LYS 236 CO -0.03 -0.84 0.75 -0.08 -0.76 0.00 0.00 175.35 174.39 1th3 s THR 237 N -2.13 4.46 -0.91 2.17 -1.32 -1.26 -0.83 115.64 115.82 1th3 s THR 237 Ca 0.68 1.64 0.24 0.00 -1.21 0.00 0.00 61.69 63.04 1th3 s THR 237 Cb -0.19 -4.11 -0.04 0.00 -1.51 0.00 0.00 72.50 66.65 1th3 s THR 237 CO 0.31 0.50 1.28 0.47 -2.21 0.00 0.00 174.62 174.97 1th3 n ASP 238 N 1.79 0.61 -0.15 8.08 8.00 -0.35 -3.62 116.55 130.89 1th3 n ASP 238 Ca -0.06 -0.32 0.14 0.00 0.71 0.00 0.00 54.79 55.26 1th3 n ASP 238 Cb 0.49 0.43 0.58 0.00 -0.02 0.00 0.00 41.12 42.60 1th3 n ASP 238 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th3 n GLN 239 N -1.62 0.78 0.00 -1.24 3.00 -1.26 -4.99 117.38 112.04 1th3 n GLN 239 Ca 0.05 -0.31 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 1th3 n GLN 239 Cb 0.36 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.10 1th3 n GLN 239 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1th3 n GLY 240 N 1.27 -2.44 3.58 1.08 0.00 -1.24 -4.84 105.19 102.60 1th3 n GLY 240 Ca 0.15 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 1th3 n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th3 s ILE 241 N -2.39 3.51 -0.12 -0.61 -1.09 -1.26 -4.52 121.20 114.72 1th3 s ILE 241 Ca 0.00 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 1th3 s ILE 241 Cb 0.00 -3.89 0.02 0.00 -1.58 0.00 0.00 42.46 37.01 1th3 s ILE 241 CO 0.00 -0.70 -0.10 -0.75 -1.23 0.00 0.00 174.94 172.15 1th3 s LYS 242 N 6.07 1.81 0.38 2.79 2.20 -1.04 -5.05 119.74 126.90 1th3 s LYS 242 Ca 0.71 -0.38 0.08 0.00 -0.36 0.00 0.00 55.97 56.02 1th3 s LYS 242 Cb -0.17 -1.74 -0.04 0.00 -1.51 0.00 0.00 37.83 34.37 1th3 s LYS 242 CO 0.28 -0.22 0.20 -0.80 -0.36 0.00 0.00 175.35 174.45 1th3 s ASN 243 N 1.50 4.67 0.08 1.43 0.01 -1.26 -0.35 114.94 121.01 1th3 s ASN 243 Ca 0.02 -0.87 0.05 0.00 -0.71 0.00 0.00 52.86 51.36 1th3 s ASN 243 Cb -0.13 -0.62 -0.04 0.00 0.41 0.00 0.00 41.25 40.87 1th3 s ASN 243 CO -0.07 -0.45 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.27 1th3 s LEU 244 N -3.92 3.29 0.58 0.60 1.43 0.62 -4.53 118.68 116.76 1th3 s LEU 244 Ca 0.41 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 1th3 s LEU 244 Cb -0.00 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1th3 s LEU 244 CO 0.24 0.20 0.99 -0.94 0.23 0.00 0.00 176.35 177.07 1th3 s SER 245 N -2.10 6.30 0.35 2.29 1.04 -1.26 -4.73 113.70 115.59 1th3 s SER 245 Ca 0.23 1.39 0.05 0.00 0.48 0.00 0.00 55.95 58.10 1th3 s SER 245 Cb -0.11 -2.45 0.72 0.00 0.10 0.00 0.00 66.02 64.27 1th3 s SER 245 CO 0.15 -0.79 1.94 -0.37 0.98 0.00 0.00 173.24 175.15 1th3 h VAL 246 N -0.04 1.00 -0.20 5.02 -1.51 -1.98 0.29 116.25 118.84 1th3 h VAL 246 Ca -0.45 -0.27 -0.20 0.00 -1.23 0.00 0.00 66.70 64.55 1th3 h VAL 246 Cb 1.19 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 1th3 h VAL 246 CO 0.62 0.14 -0.68 -0.33 -1.23 0.00 0.00 177.57 176.10 1th3 h GLU 247 N 0.79 0.76 0.07 5.19 3.07 -1.97 0.09 114.58 122.59 1th3 h GLU 247 Ca 0.35 -0.56 -0.25 0.00 -0.50 0.00 0.00 59.36 58.40 1th3 h GLU 247 Cb 0.33 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1th3 h GLU 247 CO -0.13 1.18 -1.11 -0.44 -1.40 0.00 0.00 179.01 177.11 1th3 h ASP 248 N 0.55 0.47 -0.15 1.42 3.32 -1.79 -0.79 116.42 119.45 1th3 h ASP 248 Ca -0.02 -0.44 -0.20 0.00 0.02 0.00 0.00 57.03 56.39 1th3 h ASP 248 Cb 1.29 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1th3 h ASP 248 CO 0.14 1.29 -0.65 0.00 -1.72 0.00 0.00 179.24 178.30 1th3 h ALA 249 N 0.66 0.44 -0.13 3.45 0.00 -0.49 -1.22 119.26 121.98 1th3 h ALA 249 Ca -0.11 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 1th3 h ALA 249 Cb 1.79 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1th3 h ALA 249 CO 0.19 0.69 -0.26 0.00 0.00 0.00 0.00 179.25 179.86 1th3 h ALA 250 N 0.69 1.32 0.48 0.00 0.00 -0.97 -0.96 119.26 119.83 1th3 h ALA 250 Ca -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1th3 h ALA 250 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1th3 h ALA 250 CO 0.14 0.47 -0.23 -0.09 0.00 0.00 0.00 179.25 179.53 1th3 h ARG 251 N 0.21 -0.62 -0.29 0.00 2.43 -0.97 -3.15 114.38 111.99 1th3 h ARG 251 Ca 0.03 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1th3 h ARG 251 Cb 0.59 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1th3 h ARG 251 CO 0.04 -0.42 0.42 -0.07 -1.51 0.00 0.00 179.97 178.43 1th3 h LEU 252 N -1.08 0.00 -0.38 3.80 3.38 -1.18 0.12 115.31 119.97 1th3 h LEU 252 Ca -0.07 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.97 1th3 h LEU 252 Cb 0.50 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1th3 h LEU 252 CO 0.11 0.00 0.01 0.00 0.09 0.00 0.00 178.44 178.65 1th3 h ALA 253 N 1.44 0.36 0.07 1.53 0.00 -1.12 0.18 119.26 121.71 1th3 h ALA 253 Ca 0.14 0.11 -0.37 0.00 0.00 0.00 0.00 54.91 54.78 1th3 h ALA 253 Cb 0.97 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1th3 h ALA 253 CO -0.00 -0.39 -2.17 -2.39 0.00 0.00 0.00 179.25 174.30 1th3 n HIS 254 N -5.18 0.76 -0.11 0.00 1.44 0.20 -3.22 115.22 109.12 1th3 n HIS 254 Ca 0.02 0.17 -0.06 0.00 -2.01 0.00 0.00 57.72 55.84 1th3 n HIS 254 Cb 0.20 -1.10 0.02 0.00 0.12 0.00 0.00 29.99 29.22 1th3 n HIS 254 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1th3 h GLU 255 N 0.04 0.29 -1.80 -1.40 4.81 -0.90 -3.39 114.58 112.24 1th3 h GLU 255 Ca -0.48 -0.02 -0.35 0.00 -0.13 0.00 0.00 59.36 58.39 1th3 h GLU 255 Cb 1.99 -0.06 -0.29 0.00 0.63 0.00 0.00 28.75 31.02 1th3 h GLU 255 CO 0.02 0.19 -0.69 0.34 -0.73 0.00 0.00 179.01 178.15 1th3 s ASP 256 N -5.37 0.59 0.43 1.04 2.15 0.61 -5.00 116.67 111.11 1th3 s ASP 256 Ca -0.13 -1.79 0.27 0.00 0.43 0.00 0.00 52.55 51.33 1th3 s ASP 256 Cb 0.12 0.71 1.49 0.00 -0.30 0.00 0.00 42.92 44.94 1th3 s ASP 256 CO 0.71 -0.20 1.83 1.55 -0.17 0.00 0.00 175.17 178.89 1th3 h PRO 257 N 6.51 0.00 -0.41 4.34 0.13 -1.49 -1.77 132.00 139.31 1th3 h PRO 257 Ca 0.09 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.04 1th3 h PRO 257 Cb 1.05 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.07 1th3 h PRO 257 CO 0.19 0.00 0.02 -0.25 -0.23 0.00 0.00 178.00 177.73 1th3 n ASP 258 N -2.48 2.91 -0.28 1.44 8.00 -1.26 -1.19 116.55 123.68 1th3 n ASP 258 Ca -0.02 -3.61 0.10 0.00 0.71 0.00 0.00 54.79 51.97 1th3 n ASP 258 Cb 0.08 -0.64 0.24 0.00 -0.02 0.00 0.00 41.12 40.77 1th3 n ASP 258 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1th3 h TYR 259 N 1.18 0.22 -0.34 1.24 3.20 -1.64 -0.82 116.97 120.01 1th3 h TYR 259 Ca 0.23 0.05 -0.12 0.00 3.14 0.00 0.00 58.73 62.03 1th3 h TYR 259 Cb 1.76 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 40.06 1th3 h TYR 259 CO 1.00 -0.20 -0.24 0.78 -1.64 0.00 0.00 178.16 177.85 1th3 h GLY 260 N 0.19 0.83 1.64 1.82 0.00 -1.87 0.14 103.07 105.82 1th3 h GLY 260 Ca 0.49 -0.80 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1th3 h GLY 260 CO -0.64 0.73 0.05 -2.00 0.00 0.00 0.00 176.54 174.68 1th3 h LEU 261 N 0.54 0.42 0.02 3.11 6.46 -1.69 -1.88 115.31 122.30 1th3 h LEU 261 Ca 0.07 -0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 1th3 h LEU 261 Cb 0.81 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1th3 h LEU 261 CO 0.07 0.45 -0.33 -0.09 -0.62 0.00 0.00 178.44 177.92 1th3 h ARG 262 N 0.45 0.04 -0.80 1.25 2.43 -1.02 -2.74 114.38 113.99 1th3 h ARG 262 Ca 0.11 -0.07 0.14 0.00 -0.81 0.00 0.00 59.98 59.34 1th3 h ARG 262 Cb 0.21 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.70 1th3 h ARG 262 CO -0.00 1.03 0.38 0.22 -1.51 0.00 0.00 179.97 180.09 1th3 h ASP 263 N -0.91 0.44 -0.40 -3.80 3.58 -0.67 -0.49 116.42 114.18 1th3 h ASP 263 Ca -0.08 0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.37 1th3 h ASP 263 Cb 1.14 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 1th3 h ASP 263 CO -0.01 0.19 -0.11 0.25 -2.88 0.00 0.00 179.24 176.68 1th3 h LEU 264 N 0.57 0.80 0.07 2.28 5.85 -1.46 -2.20 115.31 121.22 1th3 h LEU 264 Ca 0.43 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1th3 h LEU 264 Cb 0.59 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1th3 h LEU 264 CO -0.36 0.98 -0.04 0.15 -0.34 0.00 0.00 178.44 178.84 1th3 h PHE 265 N 0.60 -0.09 -0.24 1.25 3.57 -0.96 -2.87 116.94 118.20 1th3 h PHE 265 Ca 0.10 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.63 1th3 h PHE 265 Cb 0.64 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 1th3 h PHE 265 CO 0.05 0.04 0.07 -0.91 -2.23 0.00 0.00 178.31 175.33 1th3 h ASN 266 N -0.20 0.06 0.18 0.41 2.35 -1.15 0.08 115.58 117.32 1th3 h ASN 266 Ca -0.01 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1th3 h ASN 266 Cb 0.17 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 1th3 h ASN 266 CO 0.02 0.07 -0.52 0.00 -1.65 0.00 0.00 177.43 175.34 1th3 h ALA 267 N 1.16 -1.00 -0.88 -0.83 0.00 -1.37 -1.55 119.26 114.78 1th3 h ALA 267 Ca 0.11 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1th3 h ALA 267 Cb 0.09 0.86 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1th3 h ALA 267 CO -0.12 -1.13 0.55 0.82 0.00 0.00 0.00 179.25 179.37 1th3 h ILE 268 N -0.79 1.05 0.00 0.00 2.04 -1.41 -0.47 117.51 117.92 1th3 h ILE 268 Ca -0.01 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1th3 h ILE 268 Cb 0.78 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1th3 h ILE 268 CO -0.25 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.08 1th3 h ALA 269 N 1.41 1.00 -1.90 1.87 0.00 -0.18 -2.87 119.26 118.59 1th3 h ALA 269 Ca 0.39 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.70 1th3 h ALA 269 Cb 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.55 1th3 h ALA 269 CO -0.17 0.00 -0.62 0.25 0.00 0.00 0.00 179.25 178.71 1th3 n THR 270 N -2.78 2.83 -1.70 0.00 -2.24 -0.33 -4.92 114.28 105.14 1th3 n THR 270 Ca -0.02 -5.28 0.00 0.00 -2.27 0.00 0.00 64.05 56.48 1th3 n THR 270 Cb 0.09 -1.34 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 1th3 n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1th3 n GLY 271 N -0.36 -0.28 2.72 3.38 0.00 -1.08 -4.72 105.19 104.86 1th3 n GLY 271 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 1th3 n GLY 271 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1th3 n ASN 272 N -0.60 6.68 -4.66 1.61 5.15 -0.36 -5.02 115.26 118.06 1th3 n ASN 272 Ca 0.00 -3.80 -0.49 0.00 -0.60 0.00 0.00 54.58 49.69 1th3 n ASN 272 Cb 0.28 -0.87 -0.05 0.00 -0.53 0.00 0.00 39.78 38.61 1th3 n ASN 272 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1th3 n TYR 273 N -0.56 2.10 -1.65 1.20 4.01 -1.26 -4.21 117.16 116.79 1th3 n TYR 273 Ca 0.50 0.31 -0.29 0.00 -0.16 0.00 0.00 57.90 58.26 1th3 n TYR 273 Cb 0.41 -2.52 0.10 0.00 -0.31 0.00 0.00 39.34 37.03 1th3 n TYR 273 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1th3 s PRO 274 N 1.81 1.73 0.17 -0.72 0.04 -1.26 -4.90 135.00 131.88 1th3 s PRO 274 Ca 0.85 0.36 -0.21 0.00 0.04 0.00 0.00 61.00 62.04 1th3 s PRO 274 Cb -0.78 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 31.91 1th3 s PRO 274 CO 0.46 -1.80 0.57 -1.12 0.04 0.00 0.00 177.00 175.14 1th3 s SER 275 N -4.15 -0.43 -0.08 6.66 0.01 -1.26 -3.26 113.70 111.19 1th3 s SER 275 Ca 0.62 -0.20 -0.07 0.00 1.31 0.00 0.00 55.95 57.61 1th3 s SER 275 Cb -0.13 0.59 0.02 0.00 0.21 0.00 0.00 66.02 66.71 1th3 s SER 275 CO 0.52 -1.01 0.22 0.26 0.41 0.00 0.00 173.24 173.65 1th3 s TRP 276 N -3.80 -0.24 0.05 2.43 0.51 -0.91 -1.22 118.94 115.77 1th3 s TRP 276 Ca 0.04 0.60 -0.17 0.00 -2.12 0.00 0.00 56.10 54.44 1th3 s TRP 276 Cb -0.01 0.08 -0.06 0.00 -0.81 0.00 0.00 33.47 32.66 1th3 s TRP 276 CO -0.09 -0.13 0.50 0.99 -0.51 0.00 0.00 176.95 177.72 1th3 s THR 277 N 0.23 4.87 -0.21 2.01 2.01 -0.01 -0.55 115.64 123.99 1th3 s THR 277 Ca -0.01 1.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.92 1th3 s THR 277 Cb -0.02 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.64 1th3 s THR 277 CO -0.01 0.53 0.10 -0.22 -0.69 0.00 0.00 174.62 174.33 1th3 s LEU 278 N -1.20 3.88 0.44 4.42 2.96 0.64 -0.95 118.68 128.88 1th3 s LEU 278 Ca 0.28 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.28 1th3 s LEU 278 Cb -0.18 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1th3 s LEU 278 CO 0.17 0.12 0.06 -0.31 -1.32 0.00 0.00 176.35 175.07 1th3 s TYR 279 N 0.72 1.90 -0.12 5.38 1.51 0.97 0.11 117.35 127.82 1th3 s TYR 279 Ca 0.05 -1.07 -0.25 0.00 -1.01 0.00 0.00 57.07 54.79 1th3 s TYR 279 Cb -0.13 -1.40 0.06 0.00 -0.11 0.00 0.00 41.96 40.38 1th3 s TYR 279 CO 0.02 0.00 0.61 0.96 -1.11 0.00 0.00 175.55 176.03 1th3 s ILE 280 N -3.05 0.01 -0.29 2.71 -0.00 -0.96 -0.46 121.20 119.16 1th3 s ILE 280 Ca 0.19 -0.07 -0.07 0.00 -0.00 0.00 0.00 60.65 60.70 1th3 s ILE 280 Cb 0.03 -0.90 0.00 0.00 -0.00 0.00 0.00 42.46 41.60 1th3 s ILE 280 CO 0.10 -0.04 0.09 -1.10 -0.00 0.00 0.00 174.94 174.00 1th3 s GLN 281 N -0.59 3.17 -0.06 0.37 -0.21 0.54 -2.00 119.66 120.87 1th3 s GLN 281 Ca -0.07 -0.81 -0.19 0.00 0.02 0.00 0.00 55.36 54.32 1th3 s GLN 281 Cb -0.02 -3.39 -0.05 0.00 1.00 0.00 0.00 33.01 30.54 1th3 s GLN 281 CO 0.06 -0.42 0.51 0.08 -2.12 0.00 0.00 175.29 173.40 1th3 s VAL 282 N 1.52 5.07 0.01 1.09 1.01 -1.26 -1.35 120.40 126.50 1th3 s VAL 282 Ca 0.03 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.06 1th3 s VAL 282 Cb -0.17 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1th3 s VAL 282 CO 0.03 0.39 -0.03 -0.32 0.00 0.00 0.00 175.10 175.16 1th3 s MET 283 N 0.13 0.28 0.24 2.72 0.00 0.41 -4.96 119.30 118.11 1th3 s MET 283 Ca 0.28 -0.32 -0.06 0.00 0.00 0.00 0.00 55.69 55.58 1th3 s MET 283 Cb -0.16 -0.13 -0.06 0.00 0.00 0.00 0.00 34.83 34.47 1th3 s MET 283 CO 0.13 0.03 0.51 0.95 0.00 0.00 0.00 175.02 176.64 1th3 s THR 284 N -0.61 5.03 0.41 10.11 -4.23 -1.26 0.51 115.64 125.59 1th3 s THR 284 Ca -0.05 0.17 0.08 0.00 -1.18 0.00 0.00 61.69 60.71 1th3 s THR 284 Cb -0.05 -3.68 0.28 0.00 1.34 0.00 0.00 72.50 70.40 1th3 s THR 284 CO -0.00 -0.17 2.03 -0.26 -0.54 0.00 0.00 174.62 175.67 1th3 h PHE 285 N 2.18 0.53 -0.36 3.99 -1.00 -1.97 1.93 116.94 122.25 1th3 h PHE 285 Ca -0.47 0.01 -0.10 0.00 2.81 0.00 0.00 57.97 60.22 1th3 h PHE 285 Cb 1.18 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.55 1th3 h PHE 285 CO 0.59 0.31 -0.18 0.66 -1.61 0.00 0.00 178.31 178.09 1th3 h SER 286 N 0.55 0.77 -0.19 2.17 4.64 -1.98 0.57 113.55 120.09 1th3 h SER 286 Ca 0.20 -0.41 -0.06 0.00 -0.47 0.00 0.00 61.79 61.06 1th3 h SER 286 Cb 0.13 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1th3 h SER 286 CO -0.05 1.01 -0.11 -0.33 -0.87 0.00 0.00 176.83 176.48 1th3 h GLU 287 N 0.54 0.41 -0.01 4.77 5.08 -0.97 -1.19 114.58 123.21 1th3 h GLU 287 Ca 0.08 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1th3 h GLU 287 Cb 0.72 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1th3 h GLU 287 CO 0.05 0.72 0.05 0.00 -1.00 0.00 0.00 179.01 178.84 1th3 h ALA 288 N 0.68 1.14 0.01 3.43 0.00 0.30 0.88 119.26 125.70 1th3 h ALA 288 Ca 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1th3 h ALA 288 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1th3 h ALA 288 CO 0.03 -0.06 -0.01 1.49 0.00 0.00 0.00 179.25 180.71 1th3 h GLU 289 N 0.00 -0.02 -0.19 0.00 4.57 0.28 -3.33 114.58 115.90 1th3 h GLU 289 Ca 0.00 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.00 1th3 h GLU 289 Cb 0.11 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1th3 h GLU 289 CO -0.00 0.61 -0.63 0.82 -1.18 0.00 0.00 179.01 178.62 1th3 h ILE 290 N -0.65 1.31 -0.62 2.32 2.04 0.29 -3.46 117.51 118.73 1th3 h ILE 290 Ca -0.00 -1.88 -0.47 0.00 1.00 0.00 0.00 64.86 63.51 1th3 h ILE 290 Cb 0.63 1.84 0.04 0.00 -0.74 0.00 0.00 36.82 38.59 1th3 h ILE 290 CO 0.00 0.59 -0.06 0.33 0.00 0.00 0.00 178.15 179.01 1th3 n PHE 291 N -3.94 0.20 0.27 1.37 -0.00 0.27 -4.79 117.46 110.85 1th3 n PHE 291 Ca -0.05 0.64 0.17 0.00 -0.00 0.00 0.00 57.45 58.21 1th3 n PHE 291 Cb 0.66 -1.28 0.70 0.00 -0.00 0.00 0.00 39.48 39.57 1th3 n PHE 291 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1th3 h PRO 292 N 1.52 0.00 -5.68 -7.13 0.11 -1.90 -3.45 132.00 115.47 1th3 h PRO 292 Ca -0.28 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.21 1th3 h PRO 292 Cb 0.89 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.88 1th3 h PRO 292 CO 0.39 0.04 -0.57 -0.06 -0.21 0.00 0.00 178.00 177.59 1th3 s PHE 293 N -3.74 2.48 -0.47 0.65 0.08 -1.26 -5.06 117.98 110.66 1th3 s PHE 293 Ca 0.00 -0.67 -0.28 0.00 0.12 0.00 0.00 56.93 56.10 1th3 s PHE 293 Cb 0.10 -1.81 -0.01 0.00 -0.57 0.00 0.00 43.02 40.72 1th3 s PHE 293 CO 0.55 0.36 1.74 1.21 -0.10 0.00 0.00 175.22 178.98 1th3 s ASN 294 N -3.77 5.73 0.17 1.36 3.84 -1.26 -4.82 114.94 116.18 1th3 s ASN 294 Ca 0.34 0.78 0.10 0.00 0.21 0.00 0.00 52.86 54.29 1th3 s ASN 294 Cb 0.08 -2.53 0.57 0.00 -0.55 0.00 0.00 41.25 38.82 1th3 s ASN 294 CO 0.18 -1.93 1.30 -2.65 -2.79 0.00 0.00 177.10 171.21 1th3 n PRO 295 N 8.69 0.07 0.00 0.43 -0.02 -1.26 -0.80 135.00 142.11 1th3 n PRO 295 Ca 0.20 0.55 0.07 0.00 -2.02 0.00 0.00 63.50 62.30 1th3 n PRO 295 Cb 0.49 -1.76 0.01 0.00 -0.02 0.00 0.00 33.50 32.22 1th3 n PRO 295 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1th3 n PHE 296 N -1.86 0.00 -1.93 6.00 3.72 -1.26 -4.69 117.46 117.44 1th3 n PHE 296 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 1th3 n PHE 296 Cb 0.05 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 1th3 n PHE 296 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1th3 s ASP 297 N -1.66 6.53 0.62 4.37 -1.08 0.02 -4.42 116.67 121.04 1th3 s ASP 297 Ca 0.13 2.23 0.39 0.00 -0.52 0.00 0.00 52.55 54.78 1th3 s ASP 297 Cb 0.12 -2.53 2.03 0.00 -1.46 0.00 0.00 42.92 41.08 1th3 s ASP 297 CO 0.33 -1.04 2.25 0.25 0.52 0.00 0.00 175.17 177.48 1th3 h LEU 298 N 10.72 0.00 -1.71 -1.34 5.85 -1.87 -2.66 115.31 124.29 1th3 h LEU 298 Ca -0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1th3 h LEU 298 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1th3 h LEU 298 CO 0.96 0.02 0.00 0.35 -0.34 0.00 0.00 178.44 179.42 1th3 n THR 299 N -3.23 0.87 -4.27 1.05 -2.24 -1.26 -2.52 114.28 102.67 1th3 n THR 299 Ca -0.02 -0.50 -0.17 0.00 -2.27 0.00 0.00 64.05 61.08 1th3 n THR 299 Cb 0.14 -0.20 -0.11 0.00 -2.10 0.00 0.00 70.33 68.06 1th3 n THR 299 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1th3 s LYS 300 N -1.67 1.11 0.24 -0.78 3.01 -1.01 -4.89 119.74 115.75 1th3 s LYS 300 Ca 0.21 -1.37 0.11 0.00 -1.01 0.00 0.00 55.97 53.91 1th3 s LYS 300 Cb 0.15 -0.92 -0.05 0.00 -1.01 0.00 0.00 37.83 36.00 1th3 s LYS 300 CO 0.09 0.16 -0.15 0.14 0.51 0.00 0.00 175.35 176.10 1th3 s VAL 301 N -2.55 2.80 -0.61 3.17 -7.23 -1.26 -4.81 120.40 109.90 1th3 s VAL 301 Ca 0.14 -2.08 -0.17 0.00 -1.81 0.00 0.00 61.98 58.06 1th3 s VAL 301 Cb -0.03 -2.44 0.13 0.00 0.56 0.00 0.00 36.38 34.61 1th3 s VAL 301 CO 0.03 -0.28 0.62 0.26 -0.31 0.00 0.00 175.10 175.42 1th3 s TRP 302 N -2.15 3.24 -0.09 2.82 0.51 -1.26 -5.02 118.94 116.99 1th3 s TRP 302 Ca 0.27 -1.29 -0.40 0.00 -2.12 0.00 0.00 56.10 52.56 1th3 s TRP 302 Cb -0.07 -3.88 -0.18 0.00 -0.81 0.00 0.00 33.47 28.53 1th3 s TRP 302 CO 0.15 -1.11 1.37 -2.30 -0.51 0.00 0.00 176.95 174.55 1th3 n PRO 303 N 5.44 0.64 -0.30 4.98 -0.02 -1.26 -4.73 135.00 139.74 1th3 n PRO 303 Ca -0.08 0.23 0.18 0.00 -2.02 0.00 0.00 63.50 61.82 1th3 n PRO 303 Cb 0.42 -1.82 0.45 0.00 -0.02 0.00 0.00 33.50 32.53 1th3 n PRO 303 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1th3 h HIS 304 N 4.64 0.75 -0.01 6.00 3.86 -1.96 0.09 115.15 128.51 1th3 h HIS 304 Ca -0.48 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1th3 h HIS 304 Cb 1.37 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 1th3 h HIS 304 CO 0.63 0.15 -0.09 0.78 0.86 0.00 0.00 177.93 180.27 1th3 h GLY 305 N 0.52 -1.43 1.25 2.45 0.00 -1.98 -1.26 103.07 102.63 1th3 h GLY 305 Ca 0.54 0.64 -0.12 0.00 0.00 0.00 0.00 47.33 48.39 1th3 h GLY 305 CO -0.27 -0.51 -0.24 -0.55 0.00 0.00 0.00 176.54 174.97 1th3 h ASP 306 N -0.10 0.87 -4.13 0.19 3.32 -1.88 -3.36 116.42 111.33 1th3 h ASP 306 Ca 0.00 -0.33 -0.67 0.00 0.02 0.00 0.00 57.03 56.06 1th3 h ASP 306 Cb 0.11 -0.24 -0.38 0.00 0.22 0.00 0.00 39.33 39.04 1th3 h ASP 306 CO -0.07 1.07 -0.47 -0.31 -1.72 0.00 0.00 179.24 177.74 1th3 s TYR 307 N -4.60 3.35 0.70 4.55 2.02 -0.00 -5.08 117.35 118.28 1th3 s TYR 307 Ca -0.10 -2.99 -0.14 0.00 -0.37 0.00 0.00 57.07 53.48 1th3 s TYR 307 Cb 0.13 -3.00 0.02 0.00 -0.40 0.00 0.00 41.96 38.71 1th3 s TYR 307 CO 0.85 -0.77 1.12 -2.14 -1.57 0.00 0.00 175.55 173.04 1th3 s PRO 308 N -0.37 2.53 0.18 -1.71 0.02 -0.49 -3.99 135.00 131.16 1th3 s PRO 308 Ca 0.18 1.39 -0.14 0.00 0.02 0.00 0.00 61.00 62.45 1th3 s PRO 308 Cb -0.21 -1.92 -0.07 0.00 0.02 0.00 0.00 34.50 32.33 1th3 s PRO 308 CO -0.04 -1.46 0.57 -0.51 -0.33 0.00 0.00 177.00 175.24 1th3 s LEU 309 N -5.21 4.29 -0.11 -5.54 1.02 -1.26 -4.56 118.68 107.31 1th3 s LEU 309 Ca 0.66 1.08 0.01 0.00 0.02 0.00 0.00 54.13 55.91 1th3 s LEU 309 Cb -0.21 -3.42 -0.02 0.00 0.02 0.00 0.00 46.19 42.56 1th3 s LEU 309 CO 0.46 0.04 -0.14 -0.63 0.02 0.00 0.00 176.35 176.10 1th3 s ILE 310 N -1.57 2.99 0.14 -0.59 1.09 -0.85 -4.91 121.20 117.50 1th3 s ILE 310 Ca 0.41 -0.70 -0.30 0.00 -1.10 0.00 0.00 60.65 58.96 1th3 s ILE 310 Cb -0.14 -2.23 -0.07 0.00 -1.06 0.00 0.00 42.46 38.96 1th3 s ILE 310 CO 0.20 0.54 1.17 -2.16 -0.10 0.00 0.00 174.94 174.59 1th3 s PRO 311 N 0.07 4.50 -0.04 2.79 0.04 -1.26 -2.26 135.00 138.84 1th3 s PRO 311 Ca -0.06 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 62.70 1th3 s PRO 311 Cb -0.15 -3.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.08 1th3 s PRO 311 CO 0.05 -0.10 -0.13 0.28 0.04 0.00 0.00 177.00 177.14 1th3 n VAL 312 N 2.98 0.84 -2.40 -0.36 0.31 0.30 -4.61 118.33 115.39 1th3 n VAL 312 Ca 0.05 0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 1th3 n VAL 312 Cb 0.46 -1.75 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1th3 n VAL 312 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1th3 n GLY 313 N 2.26 2.49 3.38 2.92 0.00 -1.20 -0.70 105.19 114.35 1th3 n GLY 313 Ca -0.05 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.88 1th3 n GLY 313 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1th3 s LYS 314 N 0.15 1.39 -0.41 1.61 2.47 0.10 -0.26 119.74 124.79 1th3 s LYS 314 Ca 0.00 -1.37 0.01 0.00 -1.56 0.00 0.00 55.97 53.05 1th3 s LYS 314 Cb 0.00 -1.81 0.11 0.00 -1.46 0.00 0.00 37.83 34.67 1th3 s LYS 314 CO 0.00 0.42 0.16 -0.51 0.16 0.00 0.00 175.35 175.58 1th3 s LEU 315 N -2.20 4.91 -0.14 5.43 1.43 0.29 -1.26 118.68 127.13 1th3 s LEU 315 Ca 0.15 -2.30 -0.05 0.00 -1.03 0.00 0.00 54.13 50.90 1th3 s LEU 315 Cb -0.09 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1th3 s LEU 315 CO 0.07 -0.41 0.02 -0.69 0.23 0.00 0.00 176.35 175.57 1th3 s VAL 316 N 0.73 4.48 -0.39 -1.59 1.01 -0.26 -2.14 120.40 122.24 1th3 s VAL 316 Ca 0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 1th3 s VAL 316 Cb -0.21 -2.96 0.10 0.00 0.00 0.00 0.00 36.38 33.31 1th3 s VAL 316 CO -0.05 0.52 0.18 -0.76 0.00 0.00 0.00 175.10 174.99 1th3 s LEU 317 N -0.11 5.03 -0.04 3.92 1.43 -1.20 -0.01 118.68 127.70 1th3 s LEU 317 Ca 0.05 -1.86 0.08 0.00 -1.03 0.00 0.00 54.13 51.36 1th3 s LEU 317 Cb -0.12 -1.82 0.18 0.00 0.03 0.00 0.00 46.19 44.45 1th3 s LEU 317 CO 0.02 -0.50 1.13 -0.46 0.23 0.00 0.00 176.35 176.77 1th3 n ASN 318 N 4.63 2.49 -4.04 2.29 0.23 -1.00 -4.10 115.26 115.76 1th3 n ASN 318 Ca -0.05 -2.29 -0.17 0.00 -0.53 0.00 0.00 54.58 51.55 1th3 n ASN 318 Cb 0.42 -0.19 -0.14 0.00 -2.08 0.00 0.00 39.78 37.80 1th3 n ASN 318 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1th3 s ARG 319 N -1.50 0.62 0.05 -3.83 3.52 -0.17 -5.00 118.95 112.64 1th3 s ARG 319 Ca 0.16 -0.47 0.01 0.00 -0.13 0.00 0.00 55.73 55.30 1th3 s ARG 319 Cb 0.11 -0.56 -0.04 0.00 -1.56 0.00 0.00 34.95 32.90 1th3 s ARG 319 CO 0.05 0.14 0.11 -0.80 -0.81 0.00 0.00 175.30 173.99 1th3 s ASN 320 N -0.69 5.75 0.22 -2.12 0.01 -1.26 -1.88 114.94 114.97 1th3 s ASN 320 Ca -0.01 0.10 -0.30 0.00 -0.71 0.00 0.00 52.86 51.94 1th3 s ASN 320 Cb -0.05 -1.63 -0.10 0.00 0.41 0.00 0.00 41.25 39.87 1th3 s ASN 320 CO 0.00 0.21 1.44 -2.16 -1.51 0.00 0.00 177.10 175.08 1th3 s PRO 321 N -2.18 4.28 -0.05 -0.60 0.04 -1.26 -4.89 135.00 130.34 1th3 s PRO 321 Ca 0.28 2.27 -0.08 0.00 0.04 0.00 0.00 61.00 63.50 1th3 s PRO 321 Cb -0.12 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 1th3 s PRO 321 CO 0.20 -0.43 0.39 0.28 0.04 0.00 0.00 177.00 177.48 1th3 h VAL 322 N 3.67 0.00 -3.58 -0.36 2.07 -1.99 -3.42 116.25 112.63 1th3 h VAL 322 Ca -0.45 -0.62 -0.67 0.00 0.82 0.00 0.00 66.70 65.78 1th3 h VAL 322 Cb 1.21 0.00 -0.26 0.00 -1.52 0.00 0.00 31.29 30.72 1th3 h VAL 322 CO 0.80 0.00 -0.64 0.21 0.02 0.00 0.00 177.57 177.96 1th3 s ASN 323 N -4.75 4.98 0.13 0.57 3.84 -1.26 -5.02 114.94 113.44 1th3 s ASN 323 Ca -0.04 -0.63 -0.17 0.00 0.21 0.00 0.00 52.86 52.23 1th3 s ASN 323 Cb 0.00 -1.85 -0.02 0.00 -0.55 0.00 0.00 41.25 38.83 1th3 s ASN 323 CO 0.13 -0.15 1.71 0.22 -2.79 0.00 0.00 177.10 176.22 1th3 h TYR 324 N 8.20 0.52 0.27 0.43 3.20 -1.98 -2.39 116.97 125.22 1th3 h TYR 324 Ca -0.33 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.50 1th3 h TYR 324 Cb 1.13 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1th3 h TYR 324 CO 0.61 0.44 -0.13 0.35 -1.64 0.00 0.00 178.16 177.80 1th3 h PHE 325 N 0.45 -0.33 -0.25 -3.82 3.57 -1.95 0.51 116.94 115.12 1th3 h PHE 325 Ca 0.13 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1th3 h PHE 325 Cb 0.12 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1th3 h PHE 325 CO -0.02 -0.15 -0.03 0.00 -2.23 0.00 0.00 178.31 175.88 1th3 h ALA 326 N 0.29 1.48 0.00 2.41 0.00 -1.97 -1.84 119.26 119.62 1th3 h ALA 326 Ca -0.04 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1th3 h ALA 326 Cb 0.33 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1th3 h ALA 326 CO 0.06 0.37 -1.97 0.39 0.00 0.00 0.00 179.25 178.10 1th3 n GLU 327 N -4.30 0.78 -0.02 0.00 1.02 -0.90 -4.45 120.64 112.77 1th3 n GLU 327 Ca 0.01 -0.11 -0.04 0.00 -0.02 0.00 0.00 57.16 56.99 1th3 n GLU 327 Cb 0.23 -1.44 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1th3 n GLU 327 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1th3 n VAL 328 N -2.32 1.18 -0.33 2.62 0.31 0.17 -4.09 118.33 115.87 1th3 n VAL 328 Ca -0.12 0.27 0.15 0.00 -0.01 0.00 0.00 64.34 64.63 1th3 n VAL 328 Cb 0.69 -1.87 0.38 0.00 -0.91 0.00 0.00 33.84 32.13 1th3 n VAL 328 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1th3 h GLU 329 N -0.43 0.63 0.00 5.55 4.57 -1.18 0.34 114.58 124.06 1th3 h GLU 329 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1th3 h GLU 329 Cb 0.43 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1th3 h GLU 329 CO 0.00 0.42 -0.30 1.04 -1.18 0.00 0.00 179.01 178.99 1th3 n GLN 330 N -4.70 0.08 -1.70 1.92 6.02 -0.71 -4.89 117.38 113.39 1th3 n GLN 330 Ca 0.23 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.83 1th3 n GLN 330 Cb 0.64 -1.56 -0.00 0.00 1.02 0.00 0.00 30.24 30.33 1th3 n GLN 330 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1th3 n LEU 331 N -1.68 3.63 -3.62 1.08 4.77 0.11 -4.87 117.00 116.42 1th3 n LEU 331 Ca 0.06 1.19 -0.22 0.00 -0.03 0.00 0.00 56.01 57.00 1th3 n LEU 331 Cb 0.36 -1.49 -0.17 0.00 -2.33 0.00 0.00 43.42 39.80 1th3 n LEU 331 CO 0.32 -0.52 -0.31 0.00 -1.33 0.00 0.00 177.39 175.55 1th3 s ALA 332 N -1.12 0.21 -0.22 -1.18 0.00 -1.26 -5.02 121.76 113.17 1th3 s ALA 332 Ca 0.56 0.01 -0.08 0.00 0.00 0.00 0.00 51.96 52.46 1th3 s ALA 332 Cb -0.56 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1th3 s ALA 332 CO 0.61 -0.91 0.08 -0.06 0.00 0.00 0.00 175.76 175.49 1th3 s PHE 333 N 2.19 3.18 -0.30 0.00 0.40 -1.26 -4.96 117.98 117.22 1th3 s PHE 333 Ca 0.04 -0.12 -0.04 0.00 -0.60 0.00 0.00 56.93 56.21 1th3 s PHE 333 Cb -0.14 -2.18 0.03 0.00 0.51 0.00 0.00 43.02 41.24 1th3 s PHE 333 CO -0.07 -0.10 0.04 -0.51 0.70 0.00 0.00 175.22 175.29 1th3 s ASP 334 N 1.06 5.00 0.66 1.36 1.01 -1.26 -4.87 116.67 119.63 1th3 s ASP 334 Ca 0.05 -1.04 0.25 0.00 0.71 0.00 0.00 52.55 52.52 1th3 s ASP 334 Cb -0.14 -1.80 1.36 0.00 1.01 0.00 0.00 42.92 43.36 1th3 s ASP 334 CO 0.03 -0.25 1.77 -0.65 0.21 0.00 0.00 175.17 176.29 1th3 h PRO 335 N 8.13 0.00 0.00 8.23 0.11 -1.83 0.32 132.00 146.96 1th3 h PRO 335 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1th3 h PRO 335 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1th3 h PRO 335 CO 0.58 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 1th3 n SER 336 N -2.93 0.00 -3.77 -2.05 3.41 -1.26 -4.30 113.62 102.71 1th3 n SER 336 Ca -0.00 0.09 -0.42 0.00 -0.26 0.00 0.00 58.87 58.28 1th3 n SER 336 Cb 0.52 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1th3 n SER 336 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1th3 n ASN 337 N -1.35 4.98 -4.56 4.04 5.03 0.11 -4.93 115.26 118.58 1th3 n ASN 337 Ca 0.10 -3.00 -0.35 0.00 0.87 0.00 0.00 54.58 52.20 1th3 n ASN 337 Cb 0.23 -1.53 -0.11 0.00 -1.02 0.00 0.00 39.78 37.35 1th3 n ASN 337 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1th3 s MET 338 N 1.29 3.84 0.88 3.52 -1.94 -1.26 -2.13 119.30 123.50 1th3 s MET 338 Ca 0.44 -0.40 -0.12 0.00 -1.71 0.00 0.00 55.69 53.90 1th3 s MET 338 Cb 0.12 -3.24 0.12 0.00 2.01 0.00 0.00 34.83 33.84 1th3 s MET 338 CO -0.03 0.11 1.10 -2.14 -0.01 0.00 0.00 175.02 174.04 1th3 s PRO 339 N 0.82 1.40 0.12 2.03 0.02 -1.26 -4.84 135.00 133.29 1th3 s PRO 339 Ca 0.03 0.62 -0.34 0.00 0.02 0.00 0.00 61.00 61.34 1th3 s PRO 339 Cb -0.14 -1.84 -0.13 0.00 0.02 0.00 0.00 34.50 32.41 1th3 s PRO 339 CO 0.02 -2.09 1.63 -2.30 -0.33 0.00 0.00 177.00 173.94 1th3 n PRO 340 N -3.75 2.19 0.00 5.54 -0.02 -1.26 -1.46 135.00 136.24 1th3 n PRO 340 Ca 0.07 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1th3 n PRO 340 Cb 0.57 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1th3 n PRO 340 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1th3 n GLY 341 N 3.60 0.64 3.22 -1.23 0.00 -1.26 -3.63 105.19 106.53 1th3 n GLY 341 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1th3 n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th3 s ILE 342 N -0.95 2.02 0.08 -0.61 1.01 -0.53 -1.49 121.20 120.72 1th3 s ILE 342 Ca 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.65 1th3 s ILE 342 Cb 0.00 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1th3 s ILE 342 CO 0.00 0.55 -0.06 -1.61 0.00 0.00 0.00 174.94 173.83 1th3 s GLU 343 N 0.25 0.74 0.86 2.79 2.02 -0.82 -4.44 118.70 120.11 1th3 s GLU 343 Ca -0.16 -1.26 -0.14 0.00 0.02 0.00 0.00 54.97 53.43 1th3 s GLU 343 Cb -0.17 -0.08 0.21 0.00 0.10 0.00 0.00 34.13 34.19 1th3 s GLU 343 CO 0.08 -0.04 0.86 -0.35 0.02 0.00 0.00 175.26 175.82 1th3 n PRO 344 N 0.11 -2.14 -4.43 0.39 -0.04 -1.26 -1.23 135.00 126.39 1th3 n PRO 344 Ca -0.13 -1.36 -0.21 0.00 -0.04 0.00 0.00 63.50 61.76 1th3 n PRO 344 Cb 0.60 -1.16 -0.10 0.00 -0.04 0.00 0.00 33.50 32.80 1th3 n PRO 344 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1th3 s SER 345 N -3.94 2.47 0.00 3.54 1.04 -1.25 -4.29 113.70 111.27 1th3 s SER 345 Ca 0.53 -1.30 0.07 0.00 0.48 0.00 0.00 55.95 55.74 1th3 s SER 345 Cb -0.04 -0.11 0.43 0.00 0.10 0.00 0.00 66.02 66.40 1th3 s SER 345 CO 0.40 -0.51 0.96 -2.65 0.98 0.00 0.00 173.24 172.42 1th3 n PRO 346 N -0.63 0.20 -1.41 4.02 -0.02 -1.26 -4.57 135.00 131.33 1th3 n PRO 346 Ca -0.04 0.07 -0.60 0.00 -2.02 0.00 0.00 63.50 60.91 1th3 n PRO 346 Cb 0.65 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 32.53 1th3 n PRO 346 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1th3 n ASP 347 N -1.09 1.21 -0.12 2.55 -0.08 -1.26 -4.78 116.55 112.98 1th3 n ASP 347 Ca 0.05 0.75 -0.07 0.00 -1.51 0.00 0.00 54.79 54.01 1th3 n ASP 347 Cb 0.04 -0.98 -0.01 0.00 2.34 0.00 0.00 41.12 42.50 1th3 n ASP 347 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1th3 h LYS 348 N 8.76 -0.23 -0.12 -0.67 1.57 -1.82 0.11 116.57 124.18 1th3 h LYS 348 Ca -0.22 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1th3 h LYS 348 Cb 1.39 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.70 1th3 h LYS 348 CO 1.05 -0.15 -0.39 0.52 -0.57 0.00 0.00 179.45 179.91 1th3 h MET 349 N -0.24 -0.39 -0.50 3.15 2.86 -1.87 -1.57 114.93 116.38 1th3 h MET 349 Ca 0.18 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.94 1th3 h MET 349 Cb 0.53 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 32.19 1th3 h MET 349 CO -0.54 -0.26 -0.03 1.25 1.06 0.00 0.00 176.91 178.39 1th3 h LEU 350 N -0.40 -0.28 -0.83 1.22 5.85 -1.81 -1.13 115.31 117.94 1th3 h LEU 350 Ca 0.03 0.13 0.20 0.00 0.84 0.00 0.00 57.88 59.07 1th3 h LEU 350 Cb 0.48 0.24 -0.15 0.00 0.37 0.00 0.00 40.66 41.60 1th3 h LEU 350 CO -0.32 -0.10 0.02 1.56 -0.34 0.00 0.00 178.44 179.26 1th3 h GLN 351 N 0.08 0.09 -0.31 1.25 1.08 0.01 0.31 115.11 117.62 1th3 h GLN 351 Ca 0.25 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.36 1th3 h GLN 351 Cb 0.38 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 1th3 h GLN 351 CO -0.44 0.06 -0.16 0.78 -0.95 0.00 0.00 178.83 178.11 1th3 h GLY 352 N 0.09 0.61 2.00 3.46 0.00 -0.28 -2.75 103.07 106.20 1th3 h GLY 352 Ca 0.47 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1th3 h GLY 352 CO -0.73 0.42 -0.11 3.21 0.00 0.00 0.00 176.54 179.33 1th3 h ARG 353 N 0.51 0.00 -0.27 4.80 3.08 -0.01 -1.89 114.38 120.60 1th3 h ARG 353 Ca 0.09 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.18 1th3 h ARG 353 Cb 0.57 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1th3 h ARG 353 CO 0.04 0.11 0.18 -0.07 -1.07 0.00 0.00 179.97 179.16 1th3 h LEU 354 N 0.00 0.14 0.06 3.04 3.38 -1.07 -3.05 115.31 117.80 1th3 h LEU 354 Ca -0.00 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1th3 h LEU 354 Cb 0.32 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1th3 h LEU 354 CO 0.01 0.09 -1.17 0.15 0.09 0.00 0.00 178.44 177.62 1th3 h PHE 355 N 0.16 0.22 0.05 1.13 3.57 -1.50 -3.43 116.94 117.13 1th3 h PHE 355 Ca 0.12 -0.16 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1th3 h PHE 355 Cb 0.27 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1th3 h PHE 355 CO -0.00 1.46 -0.08 0.00 -2.23 0.00 0.00 178.31 177.46 1th3 h ALA 356 N -0.19 -0.12 0.45 2.41 0.00 -1.41 -2.92 119.26 117.48 1th3 h ALA 356 Ca -0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1th3 h ALA 356 Cb 1.49 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1th3 h ALA 356 CO -0.05 -0.58 -0.45 1.88 0.00 0.00 0.00 179.25 180.05 1th3 h TYR 357 N -0.16 -1.23 -0.35 0.00 -1.99 -1.82 0.19 116.97 111.62 1th3 h TYR 357 Ca 0.01 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 1th3 h TYR 357 Cb 0.17 0.48 -0.02 0.00 2.00 0.00 0.00 36.73 39.36 1th3 h TYR 357 CO -0.12 -0.61 0.00 -1.35 -0.00 0.00 0.00 178.16 176.08 1th3 h PRO 358 N -0.91 0.54 0.19 4.88 0.11 -1.84 0.29 132.00 135.26 1th3 h PRO 358 Ca -0.05 -0.12 0.01 0.00 0.11 0.00 0.00 66.00 65.95 1th3 h PRO 358 Cb 0.80 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 1th3 h PRO 358 CO -0.06 0.57 -0.21 0.22 -0.21 0.00 0.00 178.00 178.30 1th3 h ASP 359 N 0.52 -0.57 0.60 -2.05 3.58 -1.23 -0.07 116.42 117.20 1th3 h ASP 359 Ca 0.11 0.06 -0.12 0.00 0.42 0.00 0.00 57.03 57.50 1th3 h ASP 359 Cb 0.34 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 1th3 h ASP 359 CO 0.01 -0.31 -0.56 0.00 -2.88 0.00 0.00 179.24 175.50 1th3 h THR 360 N -0.44 1.37 -0.12 2.25 1.03 -0.47 -2.73 112.91 113.81 1th3 h THR 360 Ca 0.01 -1.96 -0.06 0.00 -0.01 0.00 0.00 66.41 64.39 1th3 h THR 360 Cb 0.43 2.06 -0.01 0.00 -1.07 0.00 0.00 68.15 69.56 1th3 h THR 360 CO -0.07 0.55 -0.19 0.45 -0.01 0.00 0.00 175.52 176.26 1th3 h HIS 361 N 0.00 0.20 -0.42 0.00 3.86 -0.47 0.33 115.15 118.66 1th3 h HIS 361 Ca -0.01 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.10 1th3 h HIS 361 Cb 1.02 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.41 1th3 h HIS 361 CO 0.00 0.38 -0.06 0.00 0.86 0.00 0.00 177.93 179.11 1th3 h ARG 362 N 0.18 0.72 0.10 2.45 3.08 -0.70 -1.20 114.38 119.01 1th3 h ARG 362 Ca 0.03 -0.21 -0.31 0.00 0.07 0.00 0.00 59.98 59.56 1th3 h ARG 362 Cb 0.45 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1th3 h ARG 362 CO 0.03 0.77 -1.65 1.25 -1.07 0.00 0.00 179.97 179.31 1th3 h HIS 363 N 0.66 0.39 -0.03 3.04 2.76 -1.29 -1.37 115.15 119.31 1th3 h HIS 363 Ca 0.12 -0.28 -0.09 0.00 -2.20 0.00 0.00 60.37 57.92 1th3 h HIS 363 Cb 0.50 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 29.45 1th3 h HIS 363 CO 0.02 1.40 -0.32 -0.09 -1.30 0.00 0.00 177.93 177.64 1th3 h ARG 364 N 0.06 0.28 0.01 5.26 2.43 -0.39 -3.40 114.38 118.61 1th3 h ARG 364 Ca -0.28 -0.25 -0.42 0.00 -0.81 0.00 0.00 59.98 58.22 1th3 h ARG 364 Cb 2.02 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 31.57 1th3 h ARG 364 CO 0.13 0.93 -2.34 1.28 -1.51 0.00 0.00 179.97 178.46 1th3 n LEU 365 N -4.44 2.19 0.00 3.80 4.77 -0.51 -4.45 117.00 118.36 1th3 n LEU 365 Ca -0.09 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1th3 n LEU 365 Cb 0.52 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1th3 n LEU 365 CO 0.41 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1th3 n GLY 366 N 1.52 4.35 0.43 -0.72 0.00 -0.52 -4.82 105.19 105.42 1th3 n GLY 366 Ca -0.49 -1.46 0.25 0.00 0.00 0.00 0.00 46.02 44.32 1th3 n GLY 366 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1th3 h PRO 367 N 0.00 0.00 -0.65 1.61 0.11 -1.82 -1.56 132.00 129.69 1th3 h PRO 367 Ca 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.91 1th3 h PRO 367 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 30.99 1th3 h PRO 367 CO 0.00 0.00 0.22 0.09 -0.21 0.00 0.00 178.00 178.10 1th3 n ASN 368 N -4.22 4.37 -0.32 -2.05 5.03 -1.26 -4.72 115.26 112.09 1th3 n ASN 368 Ca 0.14 -3.29 0.12 0.00 0.87 0.00 0.00 54.58 52.42 1th3 n ASN 368 Cb 0.81 -0.71 0.34 0.00 -1.02 0.00 0.00 39.78 39.19 1th3 n ASN 368 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.26 175.53 1th3 h TYR 369 N 2.25 0.97 0.00 3.10 -0.00 -1.59 0.20 116.97 121.90 1th3 h TYR 369 Ca 0.25 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 59.01 1th3 h TYR 369 Cb 2.18 -0.30 0.00 0.00 -0.00 0.00 0.00 36.73 38.61 1th3 h TYR 369 CO 1.18 0.30 0.01 1.28 -0.00 0.00 0.00 178.16 180.92 1th3 n LEU 370 N -4.64 0.00 0.01 0.10 4.77 -1.26 0.42 117.00 116.40 1th3 n LEU 370 Ca 0.20 0.25 0.11 0.00 -0.03 0.00 0.00 56.01 56.54 1th3 n LEU 370 Cb 0.51 -0.25 0.11 0.00 -2.33 0.00 0.00 43.42 41.46 1th3 n LEU 370 CO 0.26 -0.25 0.22 0.00 -1.33 0.00 0.00 177.39 176.30 1th3 n GLN 371 N -1.24 0.09 -1.93 3.23 6.02 0.06 -3.14 117.38 120.48 1th3 n GLN 371 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 1th3 n GLN 371 Cb 0.01 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.71 1th3 n GLN 371 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1th3 s ILE 372 N -3.06 2.53 0.23 5.09 1.01 0.17 -4.69 121.20 122.49 1th3 s ILE 372 Ca 0.08 0.41 -0.14 0.00 0.00 0.00 0.00 60.65 61.00 1th3 s ILE 372 Cb 0.16 -3.26 0.29 0.00 0.01 0.00 0.00 42.46 39.66 1th3 s ILE 372 CO 0.76 0.04 1.48 -2.65 0.00 0.00 0.00 174.94 174.57 1th3 n PRO 373 N 3.30 -0.18 0.15 2.79 -0.02 -1.26 0.12 135.00 139.89 1th3 n PRO 373 Ca 0.11 1.47 0.07 0.00 -2.02 0.00 0.00 63.50 63.13 1th3 n PRO 373 Cb 0.39 -2.18 0.57 0.00 -0.02 0.00 0.00 33.50 32.25 1th3 n PRO 373 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1th3 h VAL 374 N 0.00 1.02 0.00 -1.45 3.04 -1.90 -2.66 116.25 114.29 1th3 h VAL 374 Ca 0.37 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 1th3 h VAL 374 Cb 0.60 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1th3 h VAL 374 CO -0.95 0.04 -1.23 0.59 -1.01 0.00 0.00 177.57 175.00 1th3 n ASN 375 N -4.51 0.55 -4.76 3.17 3.02 0.12 -4.94 115.26 107.91 1th3 n ASN 375 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 1th3 n ASN 375 Cb 0.12 0.95 -0.01 0.00 -0.61 0.00 0.00 39.78 40.23 1th3 n ASN 375 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1th3 n PRO 377 N 1.39 3.26 0.00 0.00 -0.04 -1.26 -4.77 135.00 133.58 1th3 n PRO 377 Ca 0.04 -3.30 0.03 0.00 -0.04 0.00 0.00 63.50 60.23 1th3 n PRO 377 Cb 0.39 -3.19 0.11 0.00 -0.04 0.00 0.00 33.50 30.77 1th3 n PRO 377 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1th3 n TYR 378 N 6.02 0.00 0.01 0.54 0.18 -1.26 -2.76 117.16 119.89 1th3 n TYR 378 Ca 0.45 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 60.01 1th3 n TYR 378 Cb 0.41 -0.49 -0.14 0.00 -0.38 0.00 0.00 39.34 38.74 1th3 n TYR 378 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1th3 h ARG 379 N 0.00 0.26 -6.81 -3.48 2.47 -1.85 -3.47 114.38 101.50 1th3 h ARG 379 Ca 0.00 -0.45 -0.45 0.00 -1.26 0.00 0.00 59.98 57.82 1th3 h ARG 379 Cb 0.09 0.17 0.04 0.00 -1.65 0.00 0.00 29.97 28.62 1th3 h ARG 379 CO 0.00 1.21 -0.04 0.00 0.56 0.00 0.00 179.97 181.71 1th3 s ALA 380 N -2.52 3.77 -0.28 0.04 0.00 -1.11 -4.68 121.76 116.98 1th3 s ALA 380 Ca -0.21 -1.16 -0.08 0.00 0.00 0.00 0.00 51.96 50.51 1th3 s ALA 380 Cb 0.06 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 1th3 s ALA 380 CO 0.77 -0.62 0.10 0.50 0.00 0.00 0.00 175.76 176.50 1th3 s ARG 381 N -4.71 3.35 -0.37 0.00 6.06 -1.26 -4.86 118.95 117.15 1th3 s ARG 381 Ca 0.53 -0.69 -0.29 0.00 -2.50 0.00 0.00 55.73 52.78 1th3 s ARG 381 Cb -0.10 -3.41 0.02 0.00 0.06 0.00 0.00 34.95 31.52 1th3 s ARG 381 CO 0.39 -0.35 1.15 0.08 -2.50 0.00 0.00 175.30 174.07 1th3 s VAL 382 N 1.57 4.32 -0.07 7.11 1.01 -1.26 -4.99 120.40 128.10 1th3 s VAL 382 Ca 0.04 1.46 -0.03 0.00 0.00 0.00 0.00 61.98 63.46 1th3 s VAL 382 Cb -0.16 -4.43 0.04 0.00 0.00 0.00 0.00 36.38 31.83 1th3 s VAL 382 CO 0.04 -0.67 0.09 0.00 0.00 0.00 0.00 175.10 174.56 1th3 s ALA 383 N 4.12 0.17 0.00 5.51 0.00 -1.26 -5.05 121.76 125.25 1th3 s ALA 383 Ca 0.49 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1th3 s ALA 383 Cb -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1th3 s ALA 383 CO 0.23 -0.61 0.00 0.27 0.00 0.00 0.00 175.76 175.65 1th3 n ASN 384 N 5.30 0.00 -1.64 0.00 0.23 -1.26 -4.96 115.26 112.93 1th3 n ASN 384 Ca -0.04 -0.91 -0.12 0.00 -0.53 0.00 0.00 54.58 52.99 1th3 n ASN 384 Cb 0.50 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.40 1th3 n ASN 384 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1th3 n TYR 385 N 0.00 1.97 -3.82 -2.53 4.02 -1.26 -4.96 117.16 110.57 1th3 n TYR 385 Ca 0.00 -1.66 -0.37 0.00 -0.01 0.00 0.00 57.90 55.86 1th3 n TYR 385 Cb 0.00 -0.68 -0.06 0.00 -0.02 0.00 0.00 39.34 38.57 1th3 n TYR 385 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1th3 s GLN 386 N -3.24 3.61 0.29 -0.72 -0.21 -1.26 -4.89 119.66 113.25 1th3 s GLN 386 Ca 0.50 -0.10 0.05 0.00 0.02 0.00 0.00 55.36 55.83 1th3 s GLN 386 Cb 0.44 -3.24 -0.03 0.00 1.00 0.00 0.00 33.01 31.18 1th3 s GLN 386 CO 0.05 0.68 0.23 1.03 -2.12 0.00 0.00 175.29 175.16 1th3 s ARG 387 N -0.77 1.60 4.38 2.91 1.81 -1.26 -4.95 118.95 122.67 1th3 s ARG 387 Ca 0.14 -1.91 0.00 0.00 -1.72 0.00 0.00 55.73 52.25 1th3 s ARG 387 Cb -0.12 0.27 0.00 0.00 -0.45 0.00 0.00 34.95 34.65 1th3 s ARG 387 CO 0.04 -0.56 0.00 -0.25 -0.68 0.00 0.00 175.30 173.84 1th3 n ASP 388 N -1.16 0.00 0.00 0.23 9.92 -1.26 -5.03 116.55 119.25 1th3 n ASP 388 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 1th3 n ASP 388 Cb 0.64 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 1th3 n ASP 388 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1th3 n GLY 389 N 0.00 -1.57 3.62 0.44 0.00 -1.26 -4.77 105.19 101.65 1th3 n GLY 389 Ca 0.00 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 1th3 n GLY 389 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1th3 n PRO 390 N -0.35 0.91 -3.67 1.61 -0.04 -1.26 -3.64 135.00 128.56 1th3 n PRO 390 Ca 0.00 0.35 -0.24 0.00 -0.04 0.00 0.00 63.50 63.57 1th3 n PRO 390 Cb 0.00 -2.17 0.03 0.00 -0.04 0.00 0.00 33.50 31.33 1th3 n PRO 390 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1th3 n MET 391 N -0.99 -3.41 -2.56 0.54 2.81 -1.26 -4.30 117.12 107.95 1th3 n MET 391 Ca 0.14 0.58 -0.43 0.00 -1.81 0.00 0.00 57.70 56.18 1th3 n MET 391 Cb 0.47 -4.90 -0.02 0.00 -0.71 0.00 0.00 33.22 28.06 1th3 n MET 391 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1th3 s MET 393 N 4.23 1.73 3.83 0.00 -1.94 -1.26 -4.94 119.30 120.94 1th3 s MET 393 Ca 0.50 -1.19 0.00 0.00 -1.71 0.00 0.00 55.69 53.29 1th3 s MET 393 Cb -0.11 -2.37 0.00 0.00 2.01 0.00 0.00 34.83 34.37 1th3 s MET 393 CO 0.26 -1.40 0.00 -1.33 -0.01 0.00 0.00 175.02 172.54 1th3 n MET 394 N -2.77 0.00 -0.00 2.03 2.81 -1.26 -3.88 117.12 114.05 1th3 n MET 394 Ca 0.15 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.15 1th3 n MET 394 Cb 0.61 0.00 0.09 0.00 -0.71 0.00 0.00 33.22 33.20 1th3 n MET 394 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1th3 n ASP 395 N -2.66 2.72 -3.22 7.83 5.75 -1.26 -4.96 116.55 120.76 1th3 n ASP 395 Ca 0.00 -1.86 -0.22 0.00 -0.01 0.00 0.00 54.79 52.70 1th3 n ASP 395 Cb 0.00 -0.00 0.06 0.00 -1.03 0.00 0.00 41.12 40.15 1th3 n ASP 395 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1th3 n ASN 396 N 1.16 -6.10 -2.33 -1.12 5.15 -1.25 -0.81 115.26 109.94 1th3 n ASN 396 Ca 0.12 -0.41 -0.20 0.00 -0.60 0.00 0.00 54.58 53.48 1th3 n ASN 396 Cb 0.51 -4.81 -0.02 0.00 -0.53 0.00 0.00 39.78 34.94 1th3 n ASN 396 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1th3 n GLN 397 N -4.43 -1.71 0.00 1.20 6.02 -1.26 -4.76 117.38 112.44 1th3 n GLN 397 Ca -0.04 1.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.94 1th3 n GLN 397 Cb 0.58 -5.63 0.00 0.00 1.02 0.00 0.00 30.24 26.21 1th3 n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1th3 n GLY 398 N -0.94 1.94 1.71 1.08 0.00 0.01 -2.05 105.19 106.94 1th3 n GLY 398 Ca -0.24 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.65 1th3 n GLY 398 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th3 n GLY 399 N 0.00 2.81 3.76 -0.02 0.00 -1.26 -4.97 105.19 105.51 1th3 n GLY 399 Ca 0.00 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 1th3 n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th3 s ALA 400 N -2.52 2.48 0.21 4.61 0.00 -0.87 -4.92 121.76 120.75 1th3 s ALA 400 Ca 0.47 0.71 -0.31 0.00 0.00 0.00 0.00 51.96 52.82 1th3 s ALA 400 Cb 0.36 -3.36 -0.15 0.00 0.00 0.00 0.00 23.12 19.97 1th3 s ALA 400 CO 0.14 -1.24 1.20 -2.30 0.00 0.00 0.00 175.76 173.55 1th3 n PRO 401 N -2.12 1.43 0.00 0.00 -0.02 -1.26 -4.92 135.00 128.12 1th3 n PRO 401 Ca 0.11 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.22 1th3 n PRO 401 Cb 0.51 -2.02 0.09 0.00 -0.02 0.00 0.00 33.50 32.06 1th3 n PRO 401 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1th3 n ASN 402 N 1.88 2.80 -4.68 2.55 0.23 -1.26 -4.91 115.26 111.87 1th3 n ASN 402 Ca 0.13 -1.90 -0.23 0.00 -0.53 0.00 0.00 54.58 52.05 1th3 n ASN 402 Cb 0.28 0.09 -0.07 0.00 -2.08 0.00 0.00 39.78 38.00 1th3 n ASN 402 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1th3 s TYR 403 N -2.09 2.75 -0.15 -2.53 1.13 -1.26 -4.82 117.35 110.38 1th3 s TYR 403 Ca 0.26 -0.22 -0.09 0.00 -1.41 0.00 0.00 57.07 55.62 1th3 s TYR 403 Cb 0.20 -1.25 0.05 0.00 -1.10 0.00 0.00 41.96 39.86 1th3 s TYR 403 CO 0.35 0.59 0.38 -0.47 -2.51 0.00 0.00 175.55 173.88 1th3 s TYR 404 N -2.31 -0.53 0.85 -3.49 5.04 -1.26 -4.19 117.35 111.46 1th3 s TYR 404 Ca 0.32 1.17 -0.12 0.00 -2.44 0.00 0.00 57.07 56.00 1th3 s TYR 404 Cb -0.06 0.21 0.10 0.00 0.35 0.00 0.00 41.96 42.56 1th3 s TYR 404 CO 0.21 -0.31 1.12 -1.25 -1.34 0.00 0.00 175.55 173.97 1th3 s PRO 405 N 1.27 1.63 0.31 4.97 0.04 -1.26 -5.20 135.00 136.76 1th3 s PRO 405 Ca -0.09 0.48 0.06 0.00 0.04 0.00 0.00 61.00 61.50 1th3 s PRO 405 Cb -0.08 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1th3 s PRO 405 CO -0.11 -1.90 0.26 0.54 0.04 0.00 0.00 177.00 175.83 1th3 s ASN 406 N -3.95 1.49 -0.17 6.66 2.20 -1.26 -5.07 114.94 114.84 1th3 s ASN 406 Ca 0.62 -1.71 0.14 0.00 -0.94 0.00 0.00 52.86 50.97 1th3 s ASN 406 Cb -0.15 0.54 0.42 0.00 -2.00 0.00 0.00 41.25 40.06 1th3 s ASN 406 CO 0.54 -1.04 1.21 -1.20 -2.94 0.00 0.00 177.10 173.67 1th3 n SER 407 N -1.40 1.62 -2.12 3.54 7.64 -1.26 -4.78 113.62 116.86 1th3 n SER 407 Ca 0.07 -3.54 -0.14 0.00 1.01 0.00 0.00 58.87 56.26 1th3 n SER 407 Cb 0.63 -0.48 0.04 0.00 -1.01 0.00 0.00 64.21 63.39 1th3 n SER 407 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1th3 n PHE 408 N -0.81 2.04 -3.65 1.43 3.01 -1.26 -5.01 117.46 113.21 1th3 n PHE 408 Ca 0.17 -2.08 -0.24 0.00 1.01 0.00 0.00 57.45 56.30 1th3 n PHE 408 Cb 0.78 -0.30 0.04 0.00 -0.01 0.00 0.00 39.48 39.99 1th3 n PHE 408 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1th3 n SER 409 N -0.67 -3.22 -4.75 4.37 7.64 -1.26 -4.95 113.62 110.78 1th3 n SER 409 Ca 0.31 -0.88 -0.26 0.00 1.01 0.00 0.00 58.87 59.05 1th3 n SER 409 Cb 0.91 -3.93 -0.06 0.00 -1.01 0.00 0.00 64.21 60.11 1th3 n SER 409 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1th3 s ALA 410 N -3.59 3.44 0.01 -0.43 0.00 -1.26 -5.05 121.76 114.89 1th3 s ALA 410 Ca 0.22 -1.30 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 1th3 s ALA 410 Cb -0.06 -1.22 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 1th3 s ALA 410 CO 0.82 0.47 0.12 -2.30 0.00 0.00 0.00 175.76 174.87 1th3 n PRO 411 N -0.37 0.00 -4.34 0.00 -0.02 -1.26 -4.98 135.00 124.03 1th3 n PRO 411 Ca -0.09 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.14 1th3 n PRO 411 Cb 0.55 -0.18 -0.09 0.00 -0.02 0.00 0.00 33.50 33.76 1th3 n PRO 411 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1th3 s GLU 412 N -0.06 2.08 0.00 -0.52 2.02 -1.26 -5.03 118.70 115.93 1th3 s GLU 412 Ca 0.11 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.27 1th3 s GLU 412 Cb -0.16 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.19 1th3 s GLU 412 CO 0.08 0.05 0.00 -2.39 0.02 0.00 0.00 175.26 173.02 1th3 n HIS 413 N -1.01 -1.39 -2.73 1.61 1.44 -1.26 -5.06 115.22 106.82 1th3 n HIS 413 Ca -0.04 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.61 1th3 n HIS 413 Cb 0.64 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.79 1th3 n HIS 413 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1th3 n GLN 414 N -0.89 0.55 -0.33 -1.40 1.13 -1.26 -5.03 117.38 110.15 1th3 n GLN 414 Ca 0.00 -1.53 0.25 0.00 -1.94 0.00 0.00 57.00 53.78 1th3 n GLN 414 Cb 0.00 -1.11 0.47 0.00 0.11 0.00 0.00 30.24 29.71 1th3 n GLN 414 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1th3 h PRO 415 N 4.09 0.02 -0.47 -1.09 0.11 -2.01 0.43 132.00 133.08 1th3 h PRO 415 Ca -0.11 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.09 1th3 h PRO 415 Cb 1.09 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.12 1th3 h PRO 415 CO 0.13 0.02 0.00 0.66 -0.21 0.00 0.00 178.00 178.60 1th3 h SER 416 N 0.02 -0.19 -0.56 -2.05 4.64 -2.04 -2.64 113.55 110.73 1th3 h SER 416 Ca 0.75 0.11 -0.45 0.00 -0.47 0.00 0.00 61.79 61.72 1th3 h SER 416 Cb 1.82 0.20 -0.10 0.00 -0.31 0.00 0.00 62.40 64.00 1th3 h SER 416 CO -0.82 -0.06 0.92 0.00 -0.87 0.00 0.00 176.83 176.00 1th3 n ALA 417 N -2.64 6.65 -2.80 5.18 0.00 0.15 -4.91 120.51 122.14 1th3 n ALA 417 Ca 0.05 -2.85 -0.26 0.00 0.00 0.00 0.00 53.44 50.37 1th3 n ALA 417 Cb 0.25 -2.48 -0.05 0.00 0.00 0.00 0.00 19.45 17.17 1th3 n ALA 417 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1th3 s LEU 418 N -1.09 3.79 0.55 0.00 0.20 -1.00 -4.94 118.68 116.20 1th3 s LEU 418 Ca 0.63 -0.15 -0.21 0.00 0.69 0.00 0.00 54.13 55.09 1th3 s LEU 418 Cb 0.30 -2.40 -0.05 0.00 -0.43 0.00 0.00 46.19 43.62 1th3 s LEU 418 CO -0.10 0.06 1.28 -1.61 -0.29 0.00 0.00 176.35 175.69 1th3 s GLU 419 N -3.15 3.16 -0.09 1.98 8.01 -1.26 -4.95 118.70 122.40 1th3 s GLU 419 Ca 0.31 2.03 -0.27 0.00 0.01 0.00 0.00 54.97 57.05 1th3 s GLU 419 Cb -0.10 -2.17 -0.02 0.00 -4.31 0.00 0.00 34.13 27.53 1th3 s GLU 419 CO 0.23 -1.11 0.89 -1.58 0.01 0.00 0.00 175.26 173.71 1th3 s HIS 420 N -1.42 3.53 0.05 1.61 5.65 -1.26 -5.00 115.29 118.45 1th3 s HIS 420 Ca 0.73 1.46 -0.28 0.00 0.25 0.00 0.00 55.06 57.21 1th3 s HIS 420 Cb -0.36 -3.05 -0.05 0.00 -1.18 0.00 0.00 32.58 27.94 1th3 s HIS 420 CO 0.41 -0.12 0.90 -0.98 -0.65 0.00 0.00 174.74 174.29 1th3 s ARG 421 N 1.60 4.59 0.23 2.88 1.70 -1.26 -5.06 118.95 123.64 1th3 s ARG 421 Ca 0.44 1.30 0.10 0.00 -0.47 0.00 0.00 55.73 57.10 1th3 s ARG 421 Cb -0.18 -3.40 -0.05 0.00 -0.57 0.00 0.00 34.95 30.75 1th3 s ARG 421 CO 0.19 0.15 -0.18 0.99 -1.08 0.00 0.00 175.30 175.36 1th3 s THR 422 N 0.32 2.16 -0.05 4.99 2.01 -1.26 -5.12 115.64 118.69 1th3 s THR 422 Ca 0.45 -2.25 0.03 0.00 0.31 0.00 0.00 61.69 60.24 1th3 s THR 422 Cb -0.22 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 1th3 s THR 422 CO 0.27 -0.42 -0.13 -2.28 -0.69 0.00 0.00 174.62 171.37 1th3 s HIS 423 N -2.51 2.75 0.06 4.92 2.46 -1.26 -5.12 115.29 116.59 1th3 s HIS 423 Ca 0.25 -0.12 0.02 0.00 0.47 0.00 0.00 55.06 55.68 1th3 s HIS 423 Cb -0.04 -1.64 -0.03 0.00 -0.13 0.00 0.00 32.58 30.74 1th3 s HIS 423 CO 0.11 0.23 -0.07 -0.06 -2.47 0.00 0.00 174.74 172.48 1th3 s PHE 424 N -0.77 0.71 -0.05 3.88 0.08 -1.26 -5.16 117.98 115.41 1th3 s PHE 424 Ca 0.12 -0.66 -0.10 0.00 0.12 0.00 0.00 56.93 56.42 1th3 s PHE 424 Cb -0.11 -0.43 0.02 0.00 -0.57 0.00 0.00 43.02 41.94 1th3 s PHE 424 CO 0.01 -0.12 0.23 0.45 -0.10 0.00 0.00 175.22 175.69 1th3 s SER 425 N -2.09 -0.17 0.00 1.36 0.15 -1.26 -5.15 113.70 106.54 1th3 s SER 425 Ca -0.03 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1th3 s SER 425 Cb -0.04 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1th3 s SER 425 CO -0.02 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1th3 n GLY 426 N 2.24 3.27 3.67 9.45 0.00 -1.26 -5.08 105.19 117.48 1th3 n GLY 426 Ca -0.17 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1th3 n GLY 426 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1th3 s ASP 427 N 0.00 6.87 -0.42 1.61 1.01 -1.26 -4.92 116.67 119.55 1th3 s ASP 427 Ca 0.00 1.95 -0.27 0.00 0.71 0.00 0.00 52.55 54.93 1th3 s ASP 427 Cb 0.00 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1th3 s ASP 427 CO 0.00 -0.77 1.98 -0.69 0.21 0.00 0.00 175.17 175.90 1th3 s VAL 428 N 3.17 3.30 0.39 -1.27 1.01 -1.26 -4.87 120.40 120.87 1th3 s VAL 428 Ca 0.62 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.75 1th3 s VAL 428 Cb -0.27 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.61 1th3 s VAL 428 CO 0.22 -0.43 0.70 0.00 0.00 0.00 0.00 175.10 175.59 1th3 s GLN 429 N 6.57 2.20 -0.65 2.72 -2.07 -1.26 -5.10 119.66 122.07 1th3 s GLN 429 Ca 0.82 -1.61 -0.18 0.00 -1.82 0.00 0.00 55.36 52.58 1th3 s GLN 429 Cb -0.20 0.57 0.13 0.00 -1.09 0.00 0.00 33.01 32.41 1th3 s GLN 429 CO 0.29 -1.00 0.72 1.03 -1.32 0.00 0.00 175.29 175.02 1th3 s ARG 430 N -2.36 3.17 -0.11 9.60 0.52 -1.26 -5.03 118.95 123.47 1th3 s ARG 430 Ca 0.21 -1.58 -0.28 0.00 -0.52 0.00 0.00 55.73 53.56 1th3 s ARG 430 Cb -0.04 -4.36 -0.02 0.00 0.52 0.00 0.00 34.95 31.06 1th3 s ARG 430 CO 0.15 -1.50 0.93 -0.06 0.02 0.00 0.00 175.30 174.84 1th3 s PHE 431 N 2.17 3.51 -0.68 -0.53 0.40 -1.26 -4.98 117.98 116.61 1th3 s PHE 431 Ca 0.13 1.48 -0.26 0.00 -0.60 0.00 0.00 56.93 57.68 1th3 s PHE 431 Cb -0.21 -3.10 -0.04 0.00 0.51 0.00 0.00 43.02 40.18 1th3 s PHE 431 CO 0.02 -0.17 1.98 1.21 0.70 0.00 0.00 175.22 178.96 1th3 s ASN 432 N 1.07 5.05 -0.04 1.36 2.47 -1.26 -4.80 114.94 118.80 1th3 s ASN 432 Ca 0.45 0.16 0.11 0.00 0.42 0.00 0.00 52.86 54.00 1th3 s ASN 432 Cb -0.18 -2.53 0.38 0.00 -1.45 0.00 0.00 41.25 37.46 1th3 s ASN 432 CO 0.18 -2.62 1.26 -1.54 -3.72 0.00 0.00 177.10 170.66 1th3 n SER 433 N 13.81 2.53 -0.12 -4.21 3.41 -1.26 -4.46 113.62 123.32 1th3 n SER 433 Ca 0.29 -2.14 0.07 0.00 -0.26 0.00 0.00 58.87 56.82 1th3 n SER 433 Cb 0.51 -0.36 0.39 0.00 -0.26 0.00 0.00 64.21 64.49 1th3 n SER 433 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th3 h ALA 434 N 3.55 1.75 -0.96 7.33 0.00 -2.00 -3.25 119.26 125.68 1th3 h ALA 434 Ca 0.00 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.29 1th3 h ALA 434 Cb 0.75 -0.17 -0.39 0.00 0.00 0.00 0.00 17.79 17.98 1th3 h ALA 434 CO 0.07 0.16 -0.36 0.09 0.00 0.00 0.00 179.25 179.21 1th3 n ASN 435 N -4.47 5.58 -1.73 0.00 4.13 -1.26 -4.78 115.26 112.73 1th3 n ASN 435 Ca 0.08 -3.76 -0.06 0.00 1.68 0.00 0.00 54.58 52.52 1th3 n ASN 435 Cb 0.20 -0.53 -0.05 0.00 -1.54 0.00 0.00 39.78 37.86 1th3 n ASN 435 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1th3 n ASP 436 N -0.69 5.47 -2.19 6.41 9.92 -1.23 -4.82 116.55 129.41 1th3 n ASP 436 Ca 0.47 -2.53 -0.01 0.00 -0.53 0.00 0.00 54.79 52.20 1th3 n ASP 436 Cb 0.80 -1.21 -0.01 0.00 -0.64 0.00 0.00 41.12 40.06 1th3 n ASP 436 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1th3 n ASP 437 N 1.66 -6.37 -1.50 -2.24 2.03 -1.26 -4.92 116.55 103.95 1th3 n ASP 437 Ca 0.18 1.45 -0.10 0.00 0.52 0.00 0.00 54.79 56.83 1th3 n ASP 437 Cb 0.63 -4.52 0.09 0.00 -0.72 0.00 0.00 41.12 36.61 1th3 n ASP 437 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1th3 n ASN 438 N 1.50 3.34 0.00 1.67 3.02 -1.26 -4.75 115.26 118.77 1th3 n ASN 438 Ca -0.09 -3.64 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 1th3 n ASN 438 Cb 0.14 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1th3 n ASN 438 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1th3 n VAL 439 N -0.81 0.00 -0.11 2.41 0.24 -1.26 -4.71 118.33 114.08 1th3 n VAL 439 Ca 0.31 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.51 1th3 n VAL 439 Cb 0.86 -0.19 -0.07 0.00 -1.47 0.00 0.00 33.84 32.97 1th3 n VAL 439 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1th3 h THR 440 N 0.00 0.00 0.00 3.34 2.02 -1.93 0.23 112.91 116.57 1th3 h THR 440 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1th3 h THR 440 Cb 0.10 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.51 1th3 h THR 440 CO 0.00 0.00 -0.21 1.56 0.37 0.00 0.00 175.52 177.24 1th3 h GLN 441 N -0.25 0.00 -0.13 6.66 4.20 -1.92 -2.46 115.11 121.21 1th3 h GLN 441 Ca 0.06 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.56 1th3 h GLN 441 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1th3 h GLN 441 CO -0.43 0.21 -0.74 0.28 -0.67 0.00 0.00 178.83 177.49 1th3 h VAL 442 N 0.00 1.32 -0.85 -0.54 2.07 -1.67 -2.40 116.25 114.18 1th3 h VAL 442 Ca -0.00 -2.01 0.08 0.00 0.82 0.00 0.00 66.70 65.59 1th3 h VAL 442 Cb 0.47 2.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.17 1th3 h VAL 442 CO 0.03 0.63 0.50 -0.09 0.02 0.00 0.00 177.57 178.66 1th3 h ARG 443 N 0.44 0.84 -0.30 1.57 2.43 -0.10 0.79 114.38 120.06 1th3 h ARG 443 Ca -0.04 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 1th3 h ARG 443 Cb 1.34 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1th3 h ARG 443 CO 0.14 0.56 -0.30 1.79 -1.51 0.00 0.00 179.97 180.65 1th3 h THR 444 N 0.87 1.30 -0.27 0.20 1.35 -1.44 -2.17 112.91 112.74 1th3 h THR 444 Ca 0.40 -1.47 0.04 0.00 -0.55 0.00 0.00 66.41 64.82 1th3 h THR 444 Cb 0.31 1.56 -0.04 0.00 -1.73 0.00 0.00 68.15 68.25 1th3 h THR 444 CO -0.22 0.47 0.05 0.15 -0.25 0.00 0.00 175.52 175.72 1th3 h PHE 445 N 0.49 0.08 -0.63 4.73 3.57 -0.81 0.40 116.94 124.76 1th3 h PHE 445 Ca 0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1th3 h PHE 445 Cb 0.88 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 1th3 h PHE 445 CO 0.07 0.01 0.35 -0.92 -2.23 0.00 0.00 178.31 175.60 1th3 h TYR 446 N 0.15 0.85 0.00 0.41 3.20 -0.76 -1.53 116.97 119.28 1th3 h TYR 446 Ca 0.13 -0.01 -0.26 0.00 3.14 0.00 0.00 58.73 61.72 1th3 h TYR 446 Cb 0.13 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.08 1th3 h TYR 446 CO -0.17 0.59 -1.99 1.28 -1.64 0.00 0.00 178.16 176.22 1th3 n LEU 447 N -4.39 2.25 -0.02 2.82 4.77 -0.83 -4.37 117.00 117.24 1th3 n LEU 447 Ca 0.06 -0.07 -0.21 0.00 -0.03 0.00 0.00 56.01 55.76 1th3 n LEU 447 Cb 0.09 -0.38 -0.14 0.00 -2.33 0.00 0.00 43.42 40.67 1th3 n LEU 447 CO 0.37 0.69 -0.83 0.29 -1.33 0.00 0.00 177.39 176.58 1th3 n LYS 448 N -2.89 0.73 -0.02 3.23 4.76 0.13 -4.51 118.16 119.59 1th3 n LYS 448 Ca -0.29 0.29 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 1th3 n LYS 448 Cb 0.86 -1.70 -0.11 0.00 -1.84 0.00 0.00 35.03 32.24 1th3 n LYS 448 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1th3 h VAL 449 N -0.05 1.51 -3.30 -0.18 2.07 -1.14 -3.46 116.25 111.70 1th3 h VAL 449 Ca -0.43 -2.00 -0.52 0.00 0.82 0.00 0.00 66.70 64.57 1th3 h VAL 449 Cb 1.95 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 34.44 1th3 h VAL 449 CO 0.04 0.56 -0.12 -0.76 0.02 0.00 0.00 177.57 177.31 1th3 s LEU 450 N -8.45 4.07 0.37 2.57 1.43 -0.60 -5.05 118.68 113.02 1th3 s LEU 450 Ca -0.15 0.80 0.08 0.00 -1.03 0.00 0.00 54.13 53.82 1th3 s LEU 450 Cb 0.02 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 1th3 s LEU 450 CO 0.77 -0.18 0.19 0.54 0.23 0.00 0.00 176.35 177.90 1th3 s ASN 451 N -2.97 4.68 0.31 2.29 2.20 -1.26 -4.56 114.94 115.63 1th3 s ASN 451 Ca 0.45 -0.85 0.06 0.00 -0.94 0.00 0.00 52.86 51.58 1th3 s ASN 451 Cb -0.11 -0.64 0.85 0.00 -2.00 0.00 0.00 41.25 39.35 1th3 s ASN 451 CO 0.28 -0.42 1.64 -0.08 -2.94 0.00 0.00 177.10 175.57 1th3 h GLU 452 N 1.43 0.19 -0.22 3.55 4.57 -1.94 0.46 114.58 122.62 1th3 h GLU 452 Ca -0.43 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 57.61 1th3 h GLU 452 Cb 1.25 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1th3 h GLU 452 CO 0.64 0.12 -0.40 1.05 -1.18 0.00 0.00 179.01 179.25 1th3 h GLU 453 N 0.19 0.51 -0.23 1.92 4.11 -1.99 -0.92 114.58 118.17 1th3 h GLU 453 Ca 0.62 -0.25 -0.14 0.00 0.07 0.00 0.00 59.36 59.66 1th3 h GLU 453 Cb 1.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1th3 h GLU 453 CO -0.69 0.83 -0.44 1.96 0.07 0.00 0.00 179.01 180.73 1th3 h GLN 454 N 0.42 0.57 -0.27 1.06 4.20 -1.37 -2.09 115.11 117.63 1th3 h GLN 454 Ca 0.04 -0.31 -0.08 0.00 0.06 0.00 0.00 58.65 58.36 1th3 h GLN 454 Cb 0.88 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 1th3 h GLN 454 CO 0.08 0.90 -0.15 0.00 -0.67 0.00 0.00 178.83 178.99 1th3 h ARG 455 N 0.46 0.48 0.09 1.46 3.08 -0.90 0.04 114.38 119.08 1th3 h ARG 455 Ca 0.03 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 1th3 h ARG 455 Cb 0.96 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1th3 h ARG 455 CO 0.09 0.62 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.35 1th3 h LYS 456 N 0.44 -0.11 -0.05 0.04 3.64 -0.74 -2.60 116.57 117.18 1th3 h LYS 456 Ca 0.08 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1th3 h LYS 456 Cb 0.53 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1th3 h LYS 456 CO 0.03 0.05 0.02 0.00 -2.27 0.00 0.00 179.45 177.29 1th3 h ARG 457 N -0.26 0.06 -0.89 1.90 3.08 -1.07 -2.37 114.38 114.83 1th3 h ARG 457 Ca -0.01 -0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.26 1th3 h ARG 457 Cb 0.21 -0.01 -0.13 0.00 0.08 0.00 0.00 29.97 30.12 1th3 h ARG 457 CO 0.02 0.14 0.35 1.25 -1.07 0.00 0.00 179.97 180.66 1th3 h LEU 458 N -0.02 0.24 -0.38 3.04 5.85 -0.95 0.18 115.31 123.26 1th3 h LEU 458 Ca 0.02 0.17 -0.19 0.00 0.84 0.00 0.00 57.88 58.72 1th3 h LEU 458 Cb 0.09 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1th3 h LEU 458 CO -0.00 -0.06 -0.77 0.00 -0.34 0.00 0.00 178.44 177.26 1th3 h GLU 460 N 0.23 0.74 -0.70 0.00 5.08 -0.70 -0.35 114.58 118.87 1th3 h GLU 460 Ca -0.04 -0.71 0.04 0.00 -1.00 0.00 0.00 59.36 57.65 1th3 h GLU 460 Cb 1.36 0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.74 1th3 h GLU 460 CO 0.13 1.29 0.43 -0.91 -1.00 0.00 0.00 179.01 178.95 1th3 h ASN 461 N 0.45 0.70 0.61 1.42 2.35 -0.73 0.61 115.58 120.98 1th3 h ASN 461 Ca -0.10 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1th3 h ASN 461 Cb 1.58 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 39.81 1th3 h ASN 461 CO 0.19 0.48 -0.29 0.40 -1.65 0.00 0.00 177.43 176.55 1th3 h ILE 462 N 0.83 0.00 -0.96 2.81 2.04 -1.38 -3.23 117.51 117.61 1th3 h ILE 462 Ca 0.29 -0.32 0.24 0.00 1.00 0.00 0.00 64.86 66.06 1th3 h ILE 462 Cb 0.05 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.06 1th3 h ILE 462 CO -0.12 0.00 0.64 0.00 0.00 0.00 0.00 178.15 178.67 1th3 h ALA 463 N -1.30 2.36 0.00 1.87 0.00 -0.97 0.12 119.26 121.34 1th3 h ALA 463 Ca -0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1th3 h ALA 463 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1th3 h ALA 463 CO 0.14 -0.68 0.00 0.78 0.00 0.00 0.00 179.25 179.49 1th3 h GLY 464 N 0.32 0.00 0.00 0.00 0.00 -0.89 -1.45 103.07 101.05 1th3 h GLY 464 Ca 0.51 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.57 1th3 h GLY 464 CO -0.18 0.00 -1.96 1.57 0.00 0.00 0.00 176.54 175.97 1th3 n HIS 465 N -3.05 0.00 -0.10 5.60 -0.00 -0.19 -4.57 115.22 112.91 1th3 n HIS 465 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.78 1th3 n HIS 465 Cb 0.26 -0.63 0.39 0.00 -0.00 0.00 0.00 29.99 30.01 1th3 n HIS 465 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1th3 h LEU 466 N -0.34 0.57 -0.91 0.27 5.85 -0.88 -2.59 115.31 117.28 1th3 h LEU 466 Ca -0.41 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1th3 h LEU 466 Cb 1.47 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1th3 h LEU 466 CO -0.17 0.39 0.28 2.29 -0.34 0.00 0.00 178.44 180.88 1th3 n LYS 467 N -4.47 0.09 0.02 1.25 -0.00 -0.55 -0.94 118.16 113.57 1th3 n LYS 467 Ca 0.07 0.57 0.12 0.00 -0.00 0.00 0.00 58.31 59.07 1th3 n LYS 467 Cb 0.16 -2.08 0.18 0.00 -0.00 0.00 0.00 35.03 33.29 1th3 n LYS 467 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1th3 n ASP 468 N -2.06 0.59 -4.86 -5.58 8.00 -0.98 -4.89 116.55 106.77 1th3 n ASP 468 Ca -0.01 -0.14 -0.31 0.00 0.71 0.00 0.00 54.79 55.04 1th3 n ASP 468 Cb 0.30 0.33 0.02 0.00 -0.02 0.00 0.00 41.12 41.74 1th3 n ASP 468 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th3 s ALA 469 N -3.09 3.03 0.60 2.24 0.00 -0.11 -4.78 121.76 119.65 1th3 s ALA 469 Ca 0.08 -0.05 -0.20 0.00 0.00 0.00 0.00 51.96 51.80 1th3 s ALA 469 Cb 0.16 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 1th3 s ALA 469 CO 0.73 -0.77 1.30 -0.65 0.00 0.00 0.00 175.76 176.37 1th3 s GLN 470 N -5.12 2.85 0.28 0.00 -0.21 -1.26 -4.74 119.66 111.46 1th3 s GLN 470 Ca 0.56 2.09 -0.03 0.00 0.02 0.00 0.00 55.36 57.99 1th3 s GLN 470 Cb -0.11 -2.02 0.58 0.00 1.00 0.00 0.00 33.01 32.46 1th3 s GLN 470 CO 0.53 -1.37 1.60 -0.07 -2.12 0.00 0.00 175.29 173.86 1th3 h LEU 471 N 0.95 -0.49 -1.20 2.90 3.38 -1.95 0.65 115.31 119.56 1th3 h LEU 471 Ca -0.51 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1th3 h LEU 471 Cb 1.32 0.45 -0.03 0.00 0.09 0.00 0.00 40.66 42.48 1th3 h LEU 471 CO 0.55 -0.28 0.35 2.19 0.09 0.00 0.00 178.44 181.34 1th3 h PHE 472 N 0.05 0.89 -0.33 1.13 -5.15 -2.00 -0.53 116.94 111.00 1th3 h PHE 472 Ca 0.50 -0.02 -0.06 0.00 -0.20 0.00 0.00 57.97 58.19 1th3 h PHE 472 Cb 0.95 -0.29 -0.01 0.00 0.22 0.00 0.00 35.95 36.82 1th3 h PHE 472 CO -0.51 0.63 -0.05 0.82 -2.00 0.00 0.00 178.31 177.20 1th3 h ILE 473 N 0.91 1.27 -0.81 0.88 2.04 -1.25 -2.15 117.51 118.41 1th3 h ILE 473 Ca 0.23 -1.06 0.11 0.00 1.00 0.00 0.00 64.86 65.13 1th3 h ILE 473 Cb 0.03 1.31 -0.08 0.00 -0.74 0.00 0.00 36.82 37.35 1th3 h ILE 473 CO -0.04 0.35 0.44 1.56 0.00 0.00 0.00 178.15 180.46 1th3 h GLN 474 N 0.39 0.69 0.75 2.37 4.20 -0.63 0.88 115.11 123.76 1th3 h GLN 474 Ca 0.09 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 1th3 h GLN 474 Cb 0.52 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.15 1th3 h GLN 474 CO 0.03 0.46 -0.37 0.87 -0.67 0.00 0.00 178.83 179.14 1th3 h LYS 475 N 0.71 -0.99 -0.72 1.46 1.57 -0.81 0.29 116.57 118.10 1th3 h LYS 475 Ca 0.40 0.07 0.15 0.00 -1.87 0.00 0.00 60.65 59.40 1th3 h LYS 475 Cb 0.43 0.22 -0.11 0.00 0.08 0.00 0.00 32.23 32.86 1th3 h LYS 475 CO -0.28 -0.66 0.17 -0.22 -0.57 0.00 0.00 179.45 177.89 1th3 h LYS 476 N -1.02 0.26 -0.03 3.15 3.64 -0.89 0.30 116.57 121.98 1th3 h LYS 476 Ca -0.10 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1th3 h LYS 476 Cb 0.79 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 1th3 h LYS 476 CO 0.16 0.17 -0.04 0.00 -2.27 0.00 0.00 179.45 177.48 1th3 h ALA 477 N 1.59 -0.01 -0.19 5.00 0.00 0.11 -2.64 119.26 123.12 1th3 h ALA 477 Ca 0.40 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1th3 h ALA 477 Cb 0.66 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1th3 h ALA 477 CO -0.49 -0.52 0.12 0.28 0.00 0.00 0.00 179.25 178.64 1th3 h VAL 478 N -0.05 1.06 -0.76 0.00 2.07 0.46 -2.85 116.25 116.18 1th3 h VAL 478 Ca 0.03 -0.12 0.14 0.00 0.82 0.00 0.00 66.70 67.56 1th3 h VAL 478 Cb 0.09 0.80 -0.14 0.00 -1.52 0.00 0.00 31.29 30.52 1th3 h VAL 478 CO -0.06 0.06 -0.25 0.50 0.02 0.00 0.00 177.57 177.84 1th3 h LYS 479 N 0.25 -0.04 -0.28 1.57 3.64 -0.74 0.43 116.57 121.39 1th3 h LYS 479 Ca 0.07 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1th3 h LYS 479 Cb -0.01 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1th3 h LYS 479 CO -0.01 -0.02 0.19 -0.91 -2.27 0.00 0.00 179.45 176.42 1th3 h ASN 480 N -0.04 0.27 -0.27 4.20 -0.26 -1.24 -2.32 115.58 115.92 1th3 h ASN 480 Ca 0.34 -0.01 -0.18 0.00 -0.56 0.00 0.00 56.30 55.89 1th3 h ASN 480 Cb 0.57 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.77 1th3 h ASN 480 CO -0.79 0.19 -0.54 -0.26 -1.06 0.00 0.00 177.43 174.97 1th3 h PHE 481 N 0.32 1.07 0.00 1.19 0.04 -0.06 -2.94 116.94 116.56 1th3 h PHE 481 Ca 0.11 -0.39 -0.02 0.00 2.80 0.00 0.00 57.97 60.47 1th3 h PHE 481 Cb 0.05 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.00 1th3 h PHE 481 CO -0.00 1.21 -0.08 0.77 -0.60 0.00 0.00 178.31 179.61 1th3 h SER 482 N 0.62 0.00 -0.30 2.17 0.02 -0.72 -0.47 113.55 114.88 1th3 h SER 482 Ca 0.01 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 1th3 h SER 482 Cb 1.15 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1th3 h SER 482 CO 0.12 0.08 -0.17 0.44 -1.14 0.00 0.00 176.83 176.16 1th3 h ASP 483 N 0.00 0.75 -0.29 3.07 3.32 -1.30 -1.63 116.42 120.34 1th3 h ASP 483 Ca -0.00 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 56.71 1th3 h ASP 483 Cb 0.16 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1th3 h ASP 483 CO 0.01 0.93 -0.16 0.58 -1.72 0.00 0.00 179.24 178.88 1th3 h VAL 484 N 0.67 1.30 -1.58 -1.35 2.07 -1.23 -3.46 116.25 112.67 1th3 h VAL 484 Ca 0.10 -1.27 0.10 0.00 0.82 0.00 0.00 66.70 66.45 1th3 h VAL 484 Cb 0.66 1.50 -0.26 0.00 -1.52 0.00 0.00 31.29 31.67 1th3 h VAL 484 CO 0.05 0.41 0.36 -2.28 0.02 0.00 0.00 177.57 176.13 1th3 s HIS 485 N -4.56 -0.60 0.29 1.57 2.46 -0.29 -4.49 115.29 109.66 1th3 s HIS 485 Ca -0.13 1.22 0.01 0.00 0.47 0.00 0.00 55.06 56.63 1th3 s HIS 485 Cb 0.08 0.37 0.68 0.00 -0.13 0.00 0.00 32.58 33.59 1th3 s HIS 485 CO 0.80 -0.30 1.62 -1.00 -2.47 0.00 0.00 174.74 173.40 1th3 h PRO 486 N 5.93 0.13 -0.50 2.88 0.13 -1.59 0.15 132.00 139.13 1th3 h PRO 486 Ca -0.28 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.72 1th3 h PRO 486 Cb 1.19 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1th3 h PRO 486 CO 0.18 0.09 -0.16 1.49 -0.23 0.00 0.00 178.00 179.37 1th3 h GLU 487 N 0.13 0.97 -0.05 0.86 4.81 -1.91 -1.82 114.58 117.58 1th3 h GLU 487 Ca 0.54 -0.38 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1th3 h GLU 487 Cb 1.10 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 1th3 h GLU 487 CO -0.72 1.05 -0.24 -0.92 -0.73 0.00 0.00 179.01 177.45 1th3 h TYR 488 N 0.85 -0.63 0.66 0.92 5.03 -0.97 0.16 116.97 122.99 1th3 h TYR 488 Ca 0.12 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.43 1th3 h TYR 488 Cb 0.72 0.29 -0.00 0.00 1.55 0.00 0.00 36.73 39.28 1th3 h TYR 488 CO 0.05 -0.32 -0.41 0.78 -1.32 0.00 0.00 178.16 176.93 1th3 h GLY 489 N -0.35 -1.17 -0.05 1.82 0.00 -1.28 -2.60 103.07 99.44 1th3 h GLY 489 Ca 0.07 0.48 0.17 0.00 0.00 0.00 0.00 47.33 48.05 1th3 h GLY 489 CO -0.24 -0.40 0.24 1.48 0.00 0.00 0.00 176.54 177.62 1th3 h SER 490 N -1.00 0.12 -0.25 0.19 4.64 -1.17 0.34 113.55 116.43 1th3 h SER 490 Ca -0.09 0.14 0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1th3 h SER 490 Cb 0.80 0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 1th3 h SER 490 CO 0.09 -0.00 0.09 -0.09 -0.87 0.00 0.00 176.83 176.04 1th3 h ARG 491 N 0.33 0.19 -0.14 4.77 2.43 -0.62 0.51 114.38 121.84 1th3 h ARG 491 Ca 0.44 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.58 1th3 h ARG 491 Cb 0.75 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1th3 h ARG 491 CO -0.49 0.13 0.01 0.82 -1.51 0.00 0.00 179.97 178.92 1th3 h ILE 492 N 0.20 1.24 -0.56 1.20 2.04 -0.89 -2.68 117.51 118.06 1th3 h ILE 492 Ca 0.11 -0.79 0.11 0.00 1.00 0.00 0.00 64.86 65.29 1th3 h ILE 492 Cb 0.07 1.48 -0.09 0.00 -0.74 0.00 0.00 36.82 37.55 1th3 h ILE 492 CO -0.11 0.23 0.03 -0.61 0.00 0.00 0.00 178.15 177.69 1th3 h GLN 493 N 0.00 0.14 -0.40 2.37 5.75 0.03 -0.66 115.11 122.35 1th3 h GLN 493 Ca 0.04 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.62 1th3 h GLN 493 Cb 0.35 -0.03 -0.09 0.00 1.07 0.00 0.00 27.48 28.78 1th3 h GLN 493 CO 0.01 0.09 -0.21 0.00 -2.65 0.00 0.00 178.83 176.07 1th3 h ALA 494 N 1.49 0.07 -0.17 3.38 0.00 0.19 -2.04 119.26 122.18 1th3 h ALA 494 Ca 0.29 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 1th3 h ALA 494 Cb 0.44 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1th3 h ALA 494 CO -0.45 -0.57 0.10 -0.07 0.00 0.00 0.00 179.25 178.26 1th3 h LEU 495 N -0.14 0.20 -0.50 0.00 3.38 -0.88 -2.89 115.31 114.48 1th3 h LEU 495 Ca 0.19 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.21 1th3 h LEU 495 Cb 0.43 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 1th3 h LEU 495 CO -0.48 0.20 -0.03 -0.07 0.09 0.00 0.00 178.44 178.15 1th3 h LEU 496 N 0.19 -0.27 -1.51 1.67 3.38 -0.58 0.59 115.31 118.77 1th3 h LEU 496 Ca 0.06 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.20 1th3 h LEU 496 Cb 0.03 0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1th3 h LEU 496 CO -0.01 -0.10 0.39 0.44 0.09 0.00 0.00 178.44 179.25 1th3 h ASP 497 N 0.09 0.54 0.31 -0.43 3.32 -1.29 0.88 116.42 119.83 1th3 h ASP 497 Ca 0.25 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 1th3 h ASP 497 Cb 0.38 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1th3 h ASP 497 CO -0.44 0.36 -0.15 0.50 -1.72 0.00 0.00 179.24 177.79 1th3 h LYS 498 N 0.62 -0.40 -0.92 3.56 3.11 -0.65 -3.13 116.57 118.76 1th3 h LYS 498 Ca 0.24 0.03 0.18 0.00 -2.81 0.00 0.00 60.65 58.29 1th3 h LYS 498 Cb 0.18 0.09 -0.11 0.00 -1.00 0.00 0.00 32.23 31.40 1th3 h LYS 498 CO -0.07 -0.07 0.49 1.88 -2.81 0.00 0.00 179.45 178.87 1th3 h TYR 499 N -0.89 0.85 0.00 1.91 0.05 0.95 0.68 116.97 120.52 1th3 h TYR 499 Ca -0.04 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1th3 h TYR 499 Cb 0.52 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.02 1th3 h TYR 499 CO 0.04 0.14 0.00 0.09 -1.05 0.00 0.00 178.16 177.38 1th3 n ASN 500 N -4.88 1.94 0.00 3.88 5.03 0.30 -5.07 115.26 116.46 1th3 n ASN 500 Ca 0.21 -1.33 0.00 0.00 0.87 0.00 0.00 54.58 54.33 1th3 n ASN 500 Cb 0.54 -0.33 0.00 0.00 -1.02 0.00 0.00 39.78 38.97 1th3 n ASN 500 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59