#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th2 n ARG 4 N 0.00 3.90 -0.90 -3.83 3.00 -1.26 -5.12 116.66 112.46 1th2 n ARG 4 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.85 57.55 1th2 n ARG 4 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 32.46 32.64 1th2 n ARG 4 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1th2 s ASP 5 N -0.26 2.48 0.26 0.55 -4.77 -1.26 -4.80 116.67 108.86 1th2 s ASP 5 Ca 0.00 1.59 -0.03 0.00 -3.30 0.00 0.00 52.55 50.82 1th2 s ASP 5 Cb 0.00 -2.25 0.40 0.00 -1.09 0.00 0.00 42.92 39.97 1th2 s ASP 5 CO 0.00 -3.28 1.87 -0.65 0.70 0.00 0.00 175.17 173.81 1th2 h PRO 6 N -1.99 1.08 -0.04 2.11 0.11 -1.96 -2.28 132.00 129.04 1th2 h PRO 6 Ca -0.53 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.52 1th2 h PRO 6 Cb 1.30 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1th2 h PRO 6 CO 0.51 0.72 0.02 0.00 -0.21 0.00 0.00 178.00 179.04 1th2 h ALA 7 N 1.45 0.05 -0.35 -0.75 0.00 -1.92 -2.82 119.26 114.92 1th2 h ALA 7 Ca 0.42 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1th2 h ALA 7 Cb 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1th2 h ALA 7 CO -0.18 -0.39 0.21 0.77 0.00 0.00 0.00 179.25 179.66 1th2 h SER 8 N -0.06 0.41 -0.42 0.00 0.02 -1.85 -2.37 113.55 109.28 1th2 h SER 8 Ca 0.01 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1th2 h SER 8 Cb 0.12 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 1th2 h SER 8 CO -0.00 0.32 0.10 0.47 -1.14 0.00 0.00 176.83 176.57 1th2 n ASP 9 N -4.46 3.87 0.13 3.07 8.00 -0.88 -4.59 116.55 121.68 1th2 n ASP 9 Ca 0.02 -2.69 -0.15 0.00 0.71 0.00 0.00 54.79 52.69 1th2 n ASP 9 Cb 0.08 -0.64 -0.08 0.00 -0.02 0.00 0.00 41.12 40.46 1th2 n ASP 9 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1th2 h GLN 10 N 2.08 -0.67 -0.29 -1.24 -0.00 -1.24 -0.32 115.11 113.42 1th2 h GLN 10 Ca 0.09 0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.76 1th2 h GLN 10 Cb 1.61 0.15 -0.01 0.00 0.00 0.00 0.00 27.48 29.23 1th2 h GLN 10 CO 0.40 -0.45 0.08 0.52 0.00 0.00 0.00 178.83 179.38 1th2 h MET 11 N -0.70 0.46 -0.75 1.69 2.86 -1.86 -1.79 114.93 114.85 1th2 h MET 11 Ca 0.01 -0.11 0.17 0.00 -2.06 0.00 0.00 59.70 57.71 1th2 h MET 11 Cb 0.71 -0.06 -0.13 0.00 0.06 0.00 0.00 31.60 32.18 1th2 h MET 11 CO -0.24 0.53 0.03 -0.22 1.06 0.00 0.00 176.91 178.07 1th2 h LYS 12 N 0.31 0.12 -0.27 1.72 3.64 -1.80 -0.40 116.57 119.88 1th2 h LYS 12 Ca 0.09 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.29 1th2 h LYS 12 Cb 0.27 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1th2 h LYS 12 CO -0.00 0.08 -0.53 0.45 -2.27 0.00 0.00 179.45 177.17 1th2 h HIS 13 N 0.12 1.06 -0.96 1.91 3.86 -0.88 -2.61 115.15 117.66 1th2 h HIS 13 Ca 0.41 -0.38 0.11 0.00 -1.16 0.00 0.00 60.37 59.35 1th2 h HIS 13 Cb 0.72 -0.20 -0.08 0.00 1.06 0.00 0.00 27.41 28.91 1th2 h HIS 13 CO -0.40 1.21 0.59 2.35 0.86 0.00 0.00 177.93 182.53 1th2 h TRP 14 N 0.61 1.07 0.52 2.45 7.01 -0.26 -0.29 115.95 127.07 1th2 h TRP 14 Ca 0.01 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 1th2 h TRP 14 Cb 1.14 -0.34 0.01 0.00 -2.10 0.00 0.00 29.16 27.87 1th2 h TRP 14 CO 0.08 0.44 -0.25 -0.22 -2.79 0.00 0.00 178.44 175.69 1th2 h LYS 15 N 0.95 -0.68 -0.12 2.65 3.64 -1.07 -1.24 116.57 120.71 1th2 h LYS 15 Ca 0.47 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.91 1th2 h LYS 15 Cb 0.43 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 1th2 h LYS 15 CO -0.26 -0.37 -0.35 0.93 -2.27 0.00 0.00 179.45 177.13 1th2 h GLU 16 N -0.99 -0.34 -0.74 1.90 5.08 -1.04 0.36 114.58 118.80 1th2 h GLU 16 Ca -0.07 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1th2 h GLU 16 Cb 0.62 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 1th2 h GLU 16 CO 0.12 -0.23 0.44 -0.56 -1.00 0.00 0.00 179.01 177.78 1th2 h GLN 17 N -0.36 0.80 0.00 2.33 3.07 -1.17 0.10 115.11 119.89 1th2 h GLN 17 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.72 1th2 h GLN 17 Cb 0.43 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.81 1th2 h GLN 17 CO -0.30 0.53 0.00 -2.13 0.09 0.00 0.00 178.83 177.02 1th2 n ARG 18 N -4.70 0.60 -0.79 0.06 0.00 -0.47 -4.83 116.66 106.54 1th2 n ARG 18 Ca 0.09 0.02 -0.29 0.00 -0.00 0.00 0.00 57.85 57.67 1th2 n ARG 18 Cb 0.15 -1.50 0.24 0.00 0.00 0.00 0.00 32.46 31.35 1th2 n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1th2 s ALA 19 N -2.09 0.03 -1.44 5.13 0.00 0.12 -3.87 121.76 119.64 1th2 s ALA 19 Ca 0.30 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 1th2 s ALA 19 Cb 0.14 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1th2 s ALA 19 CO 0.26 -3.80 0.28 0.00 0.00 0.00 0.00 175.76 172.50 1th2 n ALA 20 N -4.93 -0.69 -3.68 0.00 0.00 -1.26 -4.98 120.51 104.96 1th2 n ALA 20 Ca 0.09 0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.64 1th2 n ALA 20 Cb 0.58 -2.75 -0.10 0.00 0.00 0.00 0.00 19.45 17.18 1th2 n ALA 20 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1th2 s GLN 21 N -5.24 0.44 0.24 0.00 -0.21 -1.25 -5.14 119.66 108.51 1th2 s GLN 21 Ca 0.14 0.93 -0.30 0.00 0.02 0.00 0.00 55.36 56.15 1th2 s GLN 21 Cb -0.06 0.09 -0.10 0.00 1.00 0.00 0.00 33.01 33.94 1th2 s GLN 21 CO 0.17 -0.17 1.43 0.21 -2.12 0.00 0.00 175.29 174.81 1th2 s LYS 22 N 1.69 4.28 0.75 2.91 2.36 -1.26 -4.95 119.74 125.52 1th2 s LYS 22 Ca -0.08 2.28 -0.15 0.00 -2.55 0.00 0.00 55.97 55.47 1th2 s LYS 22 Cb -0.08 -3.12 0.05 0.00 -1.05 0.00 0.00 37.83 33.63 1th2 s LYS 22 CO -0.14 -0.41 1.23 -1.25 1.55 0.00 0.00 175.35 176.33 1th2 s PRO 23 N -0.26 1.94 0.82 4.03 0.04 -1.26 -4.97 135.00 135.34 1th2 s PRO 23 Ca 0.60 1.85 -0.11 0.00 0.04 0.00 0.00 61.00 63.37 1th2 s PRO 23 Cb -0.41 -1.80 0.09 0.00 0.04 0.00 0.00 34.50 32.42 1th2 s PRO 23 CO 0.42 -2.01 1.12 -0.51 0.04 0.00 0.00 177.00 176.07 1th2 s ASP 24 N -1.93 3.84 -0.06 6.66 1.01 -1.26 -4.97 116.67 119.96 1th2 s ASP 24 Ca 0.76 2.02 -0.28 0.00 0.71 0.00 0.00 52.55 55.76 1th2 s ASP 24 Cb -0.31 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.05 1th2 s ASP 24 CO 0.47 -2.48 0.92 -0.69 0.21 0.00 0.00 175.17 173.60 1th2 s VAL 25 N -2.72 4.88 0.22 -1.27 1.01 -1.26 -5.00 120.40 116.26 1th2 s VAL 25 Ca 0.65 1.90 -0.31 0.00 0.00 0.00 0.00 61.98 64.22 1th2 s VAL 25 Cb -0.20 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 31.82 1th2 s VAL 25 CO 0.55 0.12 1.50 -0.22 0.00 0.00 0.00 175.10 177.05 1th2 s LEU 26 N 1.39 4.38 0.33 3.92 2.96 -1.26 -4.98 118.68 125.41 1th2 s LEU 26 Ca 0.47 2.66 0.06 0.00 -0.22 0.00 0.00 54.13 57.11 1th2 s LEU 26 Cb -0.19 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.86 1th2 s LEU 26 CO 0.22 -0.76 0.26 0.42 -1.32 0.00 0.00 176.35 175.16 1th2 s THR 27 N 0.46 0.04 0.80 3.68 -4.23 -1.26 -1.79 115.64 113.34 1th2 s THR 27 Ca 0.64 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 1th2 s THR 27 Cb -0.43 -2.49 0.16 0.00 1.34 0.00 0.00 72.50 71.08 1th2 s THR 27 CO 0.39 0.00 1.09 0.42 -0.54 0.00 0.00 174.62 175.98 1th2 s THR 28 N -3.48 2.03 0.42 3.99 -4.23 0.99 -4.81 115.64 110.55 1th2 s THR 28 Ca 0.39 -0.48 0.10 0.00 -1.18 0.00 0.00 61.69 60.53 1th2 s THR 28 Cb 0.03 -2.56 0.29 0.00 1.34 0.00 0.00 72.50 71.60 1th2 s THR 28 CO 0.26 0.00 2.02 1.23 -0.54 0.00 0.00 174.62 177.59 1th2 h GLY 29 N -0.85 0.56 -0.60 3.99 0.00 -1.94 -0.58 103.07 103.65 1th2 h GLY 29 Ca -0.37 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1th2 h GLY 29 CO 0.37 0.15 0.00 0.61 0.00 0.00 0.00 176.54 177.67 1th2 n GLY 30 N -1.50 -0.18 2.14 4.60 0.00 -1.26 -4.88 105.19 104.11 1th2 n GLY 30 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1th2 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th2 n GLY 31 N 0.69 0.51 3.70 -0.02 0.00 -0.23 -5.02 105.19 104.83 1th2 n GLY 31 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1th2 n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th2 s ASN 32 N -2.07 7.20 0.26 1.61 0.02 -1.26 -4.67 114.94 116.03 1th2 s ASN 32 Ca 0.00 1.47 -0.30 0.00 -1.02 0.00 0.00 52.86 53.00 1th2 s ASN 32 Cb 0.00 -2.52 -0.11 0.00 0.02 0.00 0.00 41.25 38.65 1th2 s ASN 32 CO 0.00 -0.29 1.50 -2.16 0.02 0.00 0.00 177.10 176.17 1th2 s PRO 33 N 1.33 4.21 -0.19 -0.60 0.04 -1.26 -0.01 135.00 138.53 1th2 s PRO 33 Ca 0.46 2.41 -0.11 0.00 0.04 0.00 0.00 61.00 63.80 1th2 s PRO 33 Cb -0.19 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 1th2 s PRO 33 CO 0.22 -0.51 0.18 0.14 0.04 0.00 0.00 177.00 177.07 1th2 s VAL 34 N 0.04 5.38 0.07 -0.36 -7.23 -0.74 -4.87 120.40 112.68 1th2 s VAL 34 Ca 0.61 0.31 -0.20 0.00 -1.81 0.00 0.00 61.98 60.89 1th2 s VAL 34 Cb -0.44 -3.52 -0.11 0.00 0.56 0.00 0.00 36.38 32.86 1th2 s VAL 34 CO 0.44 0.42 1.51 1.23 -0.31 0.00 0.00 175.10 178.40 1th2 h GLY 35 N 6.67 0.32 -6.84 2.32 0.00 -1.94 -3.44 103.07 100.16 1th2 h GLY 35 Ca -0.41 -0.23 -0.29 0.00 0.00 0.00 0.00 47.33 46.40 1th2 h GLY 35 CO 0.76 0.21 -0.63 -0.35 0.00 0.00 0.00 176.54 176.53 1th2 s ASP 36 N -5.78 0.66 -0.15 0.19 -1.08 -1.26 -5.03 116.67 104.21 1th2 s ASP 36 Ca -0.14 0.33 0.16 0.00 -0.52 0.00 0.00 52.55 52.38 1th2 s ASP 36 Cb 0.06 0.27 0.49 0.00 -1.46 0.00 0.00 42.92 42.28 1th2 s ASP 36 CO 0.72 -0.23 1.39 1.17 0.52 0.00 0.00 175.17 178.74 1th2 n LYS 37 N 5.21 2.87 -0.03 4.34 4.81 -1.26 -4.56 118.16 129.54 1th2 n LYS 37 Ca -0.07 -2.73 -0.01 0.00 -0.87 0.00 0.00 58.31 54.63 1th2 n LYS 37 Cb 0.50 -1.76 -0.06 0.00 0.02 0.00 0.00 35.03 33.73 1th2 n LYS 37 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1th2 n LEU 38 N -0.41 0.00 -4.28 3.14 4.77 -1.26 -4.98 117.00 113.98 1th2 n LEU 38 Ca 0.20 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.85 1th2 n LEU 38 Cb 0.82 0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 41.88 1th2 n LEU 38 CO 0.14 0.12 -0.48 0.20 -1.33 0.00 0.00 177.39 176.05 1th2 s ASN 39 N -3.59 3.69 1.02 -1.43 0.01 -1.26 -5.12 114.94 108.26 1th2 s ASN 39 Ca -0.03 -0.45 -0.12 0.00 -0.71 0.00 0.00 52.86 51.54 1th2 s ASN 39 Cb 0.03 -1.56 0.20 0.00 0.41 0.00 0.00 41.25 40.33 1th2 s ASN 39 CO 0.31 0.10 1.08 -0.44 -1.51 0.00 0.00 177.10 176.64 1th2 s SER 40 N 0.72 2.38 -0.41 -1.22 0.01 -1.26 -4.98 113.70 108.95 1th2 s SER 40 Ca -0.07 1.25 -0.16 0.00 1.31 0.00 0.00 55.95 58.28 1th2 s SER 40 Cb -0.16 -1.93 0.02 0.00 0.21 0.00 0.00 66.02 64.16 1th2 s SER 40 CO 0.01 -3.29 0.37 -0.22 0.41 0.00 0.00 173.24 170.52 1th2 s LEU 41 N -6.57 4.90 0.14 2.44 2.96 -1.26 -5.05 118.68 116.24 1th2 s LEU 41 Ca 0.66 -0.71 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 1th2 s LEU 41 Cb -0.19 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 1th2 s LEU 41 CO 0.59 -0.49 -0.10 0.42 -1.32 0.00 0.00 176.35 175.45 1th2 s THR 42 N 1.92 1.13 -0.64 3.68 -4.23 -1.26 -0.96 115.64 115.28 1th2 s THR 42 Ca 0.09 -2.01 -0.23 0.00 -1.18 0.00 0.00 61.69 58.36 1th2 s THR 42 Cb -0.18 -1.79 0.07 0.00 1.34 0.00 0.00 72.50 71.94 1th2 s THR 42 CO 0.12 -0.73 0.96 0.54 -0.54 0.00 0.00 174.62 174.97 1th2 s VAL 43 N -3.23 4.33 0.00 2.29 0.11 -1.03 -4.82 120.40 118.05 1th2 s VAL 43 Ca 0.15 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.93 1th2 s VAL 43 Cb 0.02 -4.66 0.00 0.00 -1.53 0.00 0.00 36.38 30.21 1th2 s VAL 43 CO 0.00 -1.41 0.00 0.61 -3.33 0.00 0.00 175.10 170.97 1th2 n GLY 44 N 5.30 -0.97 0.34 6.54 0.00 -1.26 -3.64 105.19 111.50 1th2 n GLY 44 Ca -0.03 -1.49 0.09 0.00 0.00 0.00 0.00 46.02 44.60 1th2 n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1th2 h PRO 45 N 0.00 0.74 -0.39 1.61 0.11 -2.00 -1.83 132.00 130.24 1th2 h PRO 45 Ca 0.00 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 1th2 h PRO 45 Cb 0.00 -0.17 -0.06 0.00 0.11 0.00 0.00 31.00 30.89 1th2 h PRO 45 CO 0.00 0.49 0.04 0.54 -0.21 0.00 0.00 178.00 178.86 1th2 n ARG 46 N -4.78 2.80 -2.57 1.05 3.00 -1.26 -5.03 116.66 109.88 1th2 n ARG 46 Ca 0.20 -2.99 -0.22 0.00 -0.01 0.00 0.00 57.85 54.83 1th2 n ARG 46 Cb 0.47 -1.92 0.06 0.00 0.00 0.00 0.00 32.46 31.06 1th2 n ARG 46 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1th2 s GLY 47 N -1.90 1.80 1.00 -0.13 0.00 -0.69 -5.08 107.32 102.31 1th2 s GLY 47 Ca 0.46 -1.35 -0.12 0.00 0.00 0.00 0.00 44.72 43.70 1th2 s GLY 47 CO 0.07 -1.00 1.08 -4.14 0.00 0.00 0.00 173.10 169.12 1th2 s PRO 48 N -4.90 0.43 0.17 2.90 0.02 -1.26 -4.56 135.00 127.81 1th2 s PRO 48 Ca 0.59 0.69 -0.19 0.00 0.02 0.00 0.00 61.00 62.11 1th2 s PRO 48 Cb -0.09 -1.72 -0.08 0.00 0.02 0.00 0.00 34.50 32.63 1th2 s PRO 48 CO 0.40 -2.77 0.67 -1.17 -0.33 0.00 0.00 177.00 173.80 1th2 s LEU 49 N -6.53 4.41 -0.12 -5.54 2.96 -1.26 -2.47 118.68 110.13 1th2 s LEU 49 Ca 0.65 1.35 -0.06 0.00 -0.22 0.00 0.00 54.13 55.86 1th2 s LEU 49 Cb -0.20 -3.36 -0.04 0.00 0.50 0.00 0.00 46.19 43.09 1th2 s LEU 49 CO 0.59 0.11 0.09 -0.76 -1.32 0.00 0.00 176.35 175.06 1th2 s LEU 50 N -1.71 4.09 0.54 -0.68 1.43 -0.13 -4.97 118.68 117.25 1th2 s LEU 50 Ca 0.38 0.33 0.20 0.00 -1.03 0.00 0.00 54.13 54.02 1th2 s LEU 50 Cb -0.18 -1.99 1.40 0.00 0.03 0.00 0.00 46.19 45.46 1th2 s LEU 50 CO 0.21 0.37 2.15 0.58 0.23 0.00 0.00 176.35 179.89 1th2 h VAL 51 N 4.14 0.86 -1.01 -1.59 2.07 -1.98 -0.24 116.25 118.50 1th2 h VAL 51 Ca -0.52 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.34 1th2 h VAL 51 Cb 1.21 0.96 -0.15 0.00 -1.52 0.00 0.00 31.29 31.79 1th2 h VAL 51 CO 0.59 0.00 0.58 1.56 0.02 0.00 0.00 177.57 180.31 1th2 h GLN 52 N 0.00 0.28 -5.56 1.57 4.20 -1.93 -3.33 115.11 110.34 1th2 h GLN 52 Ca 0.03 -0.02 -0.23 0.00 0.06 0.00 0.00 58.65 58.49 1th2 h GLN 52 Cb 0.13 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 1th2 h GLN 52 CO -0.00 0.19 0.62 0.34 -0.67 0.00 0.00 178.83 179.30 1th2 s ASP 53 N -4.86 4.77 0.36 1.46 -1.08 -0.10 -4.68 116.67 112.54 1th2 s ASP 53 Ca -0.10 -0.75 0.22 0.00 -0.52 0.00 0.00 52.55 51.40 1th2 s ASP 53 Cb 0.31 -2.57 0.22 0.00 -1.46 0.00 0.00 42.92 39.42 1th2 s ASP 53 CO 0.79 -3.16 1.44 -0.37 0.52 0.00 0.00 175.17 174.39 1th2 h VAL 54 N 7.10 0.09 0.22 1.11 -1.51 -1.87 -2.96 116.25 118.42 1th2 h VAL 54 Ca 0.10 -1.13 -0.00 0.00 -1.23 0.00 0.00 66.70 64.43 1th2 h VAL 54 Cb 0.99 1.91 -0.01 0.00 -2.13 0.00 0.00 31.29 32.06 1th2 h VAL 54 CO 1.16 0.05 -0.16 0.58 -1.23 0.00 0.00 177.57 177.97 1th2 h VAL 55 N 0.00 0.65 0.41 7.19 2.07 -1.94 0.20 116.25 124.83 1th2 h VAL 55 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1th2 h VAL 55 Cb 1.05 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1th2 h VAL 55 CO 0.01 0.00 -0.40 0.15 0.02 0.00 0.00 177.57 177.34 1th2 h PHE 56 N -0.39 -1.12 -0.75 1.57 3.57 -1.94 -2.43 116.94 115.45 1th2 h PHE 56 Ca -0.01 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1th2 h PHE 56 Cb 0.34 0.44 -0.08 0.00 2.79 0.00 0.00 35.95 39.44 1th2 h PHE 56 CO -0.11 -0.54 0.37 1.15 -2.23 0.00 0.00 178.31 176.95 1th2 h THR 57 N -0.81 0.80 0.07 4.41 2.02 -1.44 -0.20 112.91 117.76 1th2 h THR 57 Ca -0.05 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1th2 h THR 57 Cb 0.70 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1th2 h THR 57 CO -0.05 0.11 -0.10 -0.78 0.37 0.00 0.00 175.52 175.07 1th2 h ASP 58 N 0.59 -0.28 -0.70 4.18 3.58 -0.45 0.50 116.42 123.84 1th2 h ASP 58 Ca 0.38 0.03 0.12 0.00 0.42 0.00 0.00 57.03 57.98 1th2 h ASP 58 Cb 0.46 0.10 -0.09 0.00 1.72 0.00 0.00 39.33 41.52 1th2 h ASP 58 CO -0.31 -0.12 0.26 -0.08 -2.88 0.00 0.00 179.24 176.11 1th2 h GLU 59 N -0.17 0.40 -0.46 0.28 4.81 -1.27 -2.51 114.58 115.65 1th2 h GLU 59 Ca -0.01 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 1th2 h GLU 59 Cb 0.16 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1th2 h GLU 59 CO -0.03 0.26 -0.03 1.98 -0.73 0.00 0.00 179.01 180.47 1th2 h MET 60 N 0.41 0.83 -0.79 1.92 4.05 -0.81 -1.82 114.93 118.72 1th2 h MET 60 Ca 0.37 -0.28 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 1th2 h MET 60 Cb 0.54 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.23 1th2 h MET 60 CO -0.38 0.90 0.50 0.00 0.23 0.00 0.00 176.91 178.16 1th2 h ALA 61 N 0.90 1.40 -0.05 0.39 0.00 0.40 0.08 119.26 122.38 1th2 h ALA 61 Ca 0.13 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1th2 h ALA 61 Cb 0.54 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1th2 h ALA 61 CO 0.03 0.54 -0.74 1.25 0.00 0.00 0.00 179.25 180.33 1th2 h HIS 62 N 1.08 0.45 -0.52 0.00 6.17 -1.29 -3.06 115.15 117.97 1th2 h HIS 62 Ca 0.29 -0.20 -0.09 0.00 0.71 0.00 0.00 60.37 61.08 1th2 h HIS 62 Cb -0.09 -0.07 -0.02 0.00 2.52 0.00 0.00 27.41 29.76 1th2 h HIS 62 CO 0.00 0.95 -0.02 0.35 0.71 0.00 0.00 177.93 179.93 1th2 h PHE 63 N 0.22 1.02 0.00 5.26 3.04 -0.75 -2.35 116.94 123.38 1th2 h PHE 63 Ca -0.03 -0.19 0.00 0.00 3.98 0.00 0.00 57.97 61.73 1th2 h PHE 63 Cb 1.32 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.56 1th2 h PHE 63 CO 0.04 0.95 0.00 -0.25 -2.02 0.00 0.00 178.31 177.03 1th2 n ASP 64 N -4.27 0.00 -0.21 0.41 8.00 -0.04 -2.64 116.55 117.81 1th2 n ASP 64 Ca 0.01 0.28 0.06 0.00 0.71 0.00 0.00 54.79 55.85 1th2 n ASP 64 Cb 0.34 -0.33 0.08 0.00 -0.02 0.00 0.00 41.12 41.19 1th2 n ASP 64 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1th2 n ARG 65 N -1.33 0.90 -0.06 -1.24 1.74 -0.89 -4.84 116.66 110.94 1th2 n ARG 65 Ca 0.02 -1.93 0.01 0.00 -0.77 0.00 0.00 57.85 55.18 1th2 n ARG 65 Cb 0.04 -1.11 0.32 0.00 -1.02 0.00 0.00 32.46 30.69 1th2 n ARG 65 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1th2 h GLU 66 N 0.00 0.66 -6.37 5.56 5.08 -1.40 -3.44 114.58 114.67 1th2 h GLU 66 Ca 0.00 -0.08 -0.55 0.00 -1.00 0.00 0.00 59.36 57.73 1th2 h GLU 66 Cb 1.11 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 1th2 h GLU 66 CO 0.00 0.53 0.10 1.03 -1.00 0.00 0.00 179.01 179.67 1th2 s ARG 67 N -5.36 4.43 0.28 2.33 1.81 -1.26 -5.08 118.95 116.10 1th2 s ARG 67 Ca -0.09 0.99 0.10 0.00 -1.72 0.00 0.00 55.73 55.01 1th2 s ARG 67 Cb 0.17 -3.28 -0.05 0.00 -0.45 0.00 0.00 34.95 31.33 1th2 s ARG 67 CO 0.76 0.53 -0.14 0.96 -0.68 0.00 0.00 175.30 176.73 1th2 s ILE 68 N -0.88 2.13 0.38 1.52 -4.36 -1.26 -5.10 121.20 113.63 1th2 s ILE 68 Ca 0.34 -2.27 -0.28 0.00 -0.26 0.00 0.00 60.65 58.18 1th2 s ILE 68 Cb -0.21 -2.35 -0.10 0.00 1.25 0.00 0.00 42.46 41.04 1th2 s ILE 68 CO 0.23 -0.38 1.43 -2.84 0.24 0.00 0.00 174.94 173.62 1th2 s PRO 69 N -3.60 4.10 0.39 0.37 0.02 -1.26 -4.98 135.00 130.05 1th2 s PRO 69 Ca 0.29 2.46 -0.22 0.00 0.02 0.00 0.00 61.00 63.54 1th2 s PRO 69 Cb -0.01 -2.94 -0.11 0.00 0.02 0.00 0.00 34.50 31.47 1th2 s PRO 69 CO 0.13 -0.50 0.94 -1.83 -0.33 0.00 0.00 177.00 175.42 1th2 s GLU 70 N -2.09 4.33 0.30 5.54 -1.05 -1.26 -4.92 118.70 119.56 1th2 s GLU 70 Ca 0.53 1.17 -0.25 0.00 -0.15 0.00 0.00 54.97 56.27 1th2 s GLU 70 Cb -0.44 -2.38 -0.15 0.00 -0.44 0.00 0.00 34.13 30.72 1th2 s GLU 70 CO 0.59 0.07 0.52 0.54 0.95 0.00 0.00 175.26 177.94 1th2 n ARG 71 N -0.26 0.35 0.22 -4.83 1.74 -1.26 -4.80 116.66 107.81 1th2 n ARG 71 Ca 0.05 0.12 0.06 0.00 -0.77 0.00 0.00 57.85 57.32 1th2 n ARG 71 Cb 0.53 -1.25 0.49 0.00 -1.02 0.00 0.00 32.46 31.21 1th2 n ARG 71 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1th2 h VAL 72 N 0.99 1.03 -3.97 1.55 3.04 -1.98 -3.38 116.25 113.52 1th2 h VAL 72 Ca -0.34 -0.91 -0.22 0.00 -1.01 0.00 0.00 66.70 64.21 1th2 h VAL 72 Cb 1.42 1.51 -0.21 0.00 -2.01 0.00 0.00 31.29 32.00 1th2 h VAL 72 CO 0.54 0.25 -0.72 0.68 -1.01 0.00 0.00 177.57 177.31 1th2 s VAL 73 N -4.29 0.32 -1.25 1.51 -7.23 -1.26 -4.86 120.40 103.34 1th2 s VAL 73 Ca -0.03 -0.98 -0.06 0.00 -1.81 0.00 0.00 61.98 59.10 1th2 s VAL 73 Cb 0.14 -0.43 0.01 0.00 0.56 0.00 0.00 36.38 36.66 1th2 s VAL 73 CO 0.68 -0.44 1.07 1.41 -0.31 0.00 0.00 175.10 177.52 1th2 n HIS 74 N 1.55 -2.54 -0.09 2.82 -0.00 0.76 -4.93 115.22 112.80 1th2 n HIS 74 Ca -0.23 0.95 -0.12 0.00 -0.00 0.00 0.00 57.72 58.31 1th2 n HIS 74 Cb 0.55 -4.89 -0.05 0.00 -0.00 0.00 0.00 29.99 25.60 1th2 n HIS 74 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1th2 h ALA 75 N 0.93 0.35 -1.59 -1.41 0.00 -1.75 -3.42 119.26 112.38 1th2 h ALA 75 Ca -0.55 -0.30 -0.55 0.00 0.00 0.00 0.00 54.91 53.51 1th2 h ALA 75 Cb 1.34 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 1th2 h ALA 75 CO 0.51 0.20 0.98 0.21 0.00 0.00 0.00 179.25 181.15 1th2 s LYS 76 N -4.63 3.52 0.32 0.00 2.36 -1.23 -4.69 119.74 115.38 1th2 s LYS 76 Ca -0.13 0.27 -0.11 0.00 -2.55 0.00 0.00 55.97 53.45 1th2 s LYS 76 Cb 0.07 -4.01 0.02 0.00 -1.05 0.00 0.00 37.83 32.86 1th2 s LYS 76 CO 0.77 -1.68 0.59 0.20 1.55 0.00 0.00 175.35 176.78 1th2 s GLY 77 N 2.99 0.74 0.13 5.54 0.00 -1.26 -2.05 107.32 113.41 1th2 s GLY 77 Ca 0.44 -1.00 0.06 0.00 0.00 0.00 0.00 44.72 44.22 1th2 s GLY 77 CO 0.26 -0.61 -0.13 0.00 0.00 0.00 0.00 173.10 172.62 1th2 s ALA 78 N -3.22 1.50 0.17 3.20 0.00 -0.05 -4.95 121.76 118.39 1th2 s ALA 78 Ca 0.22 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 1th2 s ALA 78 Cb -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1th2 s ALA 78 CO 0.13 0.04 0.11 0.20 0.00 0.00 0.00 175.76 176.24 1th2 s GLY 79 N -2.69 1.16 0.01 0.00 0.00 -1.26 -0.65 107.32 103.90 1th2 s GLY 79 Ca 0.11 -1.54 -0.29 0.00 0.00 0.00 0.00 44.72 43.00 1th2 s GLY 79 CO 0.03 -1.34 1.07 0.00 0.00 0.00 0.00 173.10 172.85 1th2 s ALA 80 N -4.10 -1.92 0.21 3.20 0.00 -0.33 -4.46 121.76 114.36 1th2 s ALA 80 Ca 0.31 0.76 0.10 0.00 0.00 0.00 0.00 51.96 53.12 1th2 s ALA 80 Cb 0.07 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 1th2 s ALA 80 CO 0.07 -0.88 -0.19 -0.06 0.00 0.00 0.00 175.76 174.70 1th2 s PHE 81 N -2.87 2.04 0.00 0.00 0.40 -0.13 -0.22 117.98 117.20 1th2 s PHE 81 Ca 0.10 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.01 1th2 s PHE 81 Cb 0.00 -0.96 0.00 0.00 0.51 0.00 0.00 43.02 42.57 1th2 s PHE 81 CO -0.03 0.48 0.00 0.41 0.70 0.00 0.00 175.22 176.77 1th2 n GLY 82 N -0.07 2.58 3.36 4.36 0.00 -0.92 -1.60 105.19 112.89 1th2 n GLY 82 Ca -0.10 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 1th2 n GLY 82 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1th2 s TYR 83 N -0.12 0.72 -0.02 1.61 -0.85 -0.35 -1.61 117.35 116.72 1th2 s TYR 83 Ca 0.00 -1.03 0.07 0.00 -0.52 0.00 0.00 57.07 55.59 1th2 s TYR 83 Cb 0.00 -0.20 -0.02 0.00 0.38 0.00 0.00 41.96 42.12 1th2 s TYR 83 CO 0.00 -0.77 -0.23 0.12 -1.52 0.00 0.00 175.55 173.15 1th2 s PHE 84 N -4.07 2.13 -0.11 -3.49 5.36 -0.10 -1.54 117.98 116.16 1th2 s PHE 84 Ca 0.28 -0.43 0.01 0.00 -0.96 0.00 0.00 56.93 55.84 1th2 s PHE 84 Cb 0.04 -1.37 0.02 0.00 -0.34 0.00 0.00 43.02 41.36 1th2 s PHE 84 CO 0.08 -0.06 -0.14 -2.00 -1.46 0.00 0.00 175.22 171.64 1th2 s GLU 85 N -0.50 2.12 -0.06 10.12 2.12 0.77 -1.77 118.70 131.49 1th2 s GLU 85 Ca 0.08 -0.52 -0.29 0.00 0.36 0.00 0.00 54.97 54.59 1th2 s GLU 85 Cb -0.10 -1.83 -0.02 0.00 0.26 0.00 0.00 34.13 32.44 1th2 s GLU 85 CO -0.00 -0.08 0.97 0.08 -0.54 0.00 0.00 175.26 175.68 1th2 s VAL 86 N 1.05 4.84 -0.18 3.70 1.01 -1.15 0.12 120.40 129.80 1th2 s VAL 86 Ca -0.05 1.99 0.09 0.00 0.00 0.00 0.00 61.98 64.00 1th2 s VAL 86 Cb -0.15 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 31.82 1th2 s VAL 86 CO -0.02 0.09 0.27 0.35 0.00 0.00 0.00 175.10 175.79 1th2 n THR 87 N 4.22 0.00 -4.11 3.92 -2.24 -0.79 0.10 114.28 115.38 1th2 n THR 87 Ca 0.07 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.50 1th2 n THR 87 Cb 0.50 0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 69.22 1th2 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1th2 s HIS 88 N -2.29 0.71 -0.43 4.78 3.76 -0.83 -4.93 115.29 116.07 1th2 s HIS 88 Ca -0.01 -0.84 -0.16 0.00 -0.15 0.00 0.00 55.06 53.91 1th2 s HIS 88 Cb 0.06 -0.44 0.03 0.00 1.11 0.00 0.00 32.58 33.34 1th2 s HIS 88 CO 0.37 -0.19 0.37 0.34 -0.85 0.00 0.00 174.74 174.78 1th2 s ASP 89 N -2.60 6.15 -0.23 1.40 -1.08 -1.26 -4.84 116.67 114.20 1th2 s ASP 89 Ca 0.04 -0.88 0.12 0.00 -0.52 0.00 0.00 52.55 51.31 1th2 s ASP 89 Cb 0.02 -2.19 0.47 0.00 -1.46 0.00 0.00 42.92 39.76 1th2 s ASP 89 CO -0.05 -0.54 1.38 2.30 0.52 0.00 0.00 175.17 178.78 1th2 n ILE 90 N 5.28 2.36 -0.30 4.11 -5.35 -1.26 -4.69 119.36 119.51 1th2 n ILE 90 Ca -0.10 -2.59 0.18 0.00 -0.27 0.00 0.00 62.75 59.97 1th2 n ILE 90 Cb 0.47 -0.28 0.46 0.00 -1.74 0.00 0.00 39.64 38.54 1th2 n ILE 90 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1th2 h THR 91 N 1.03 0.65 0.00 7.28 2.02 -1.84 0.53 112.91 122.57 1th2 h THR 91 Ca 0.11 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1th2 h THR 91 Cb 1.43 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1th2 h THR 91 CO 0.24 0.09 0.00 -2.11 0.37 0.00 0.00 175.52 174.12 1th2 n ARG 92 N -4.61 0.24 -0.08 6.66 0.00 -1.26 -3.49 116.66 114.12 1th2 n ARG 92 Ca 0.22 0.13 -0.15 0.00 -0.00 0.00 0.00 57.85 58.05 1th2 n ARG 92 Cb 0.71 -1.50 -0.05 0.00 -0.00 0.00 0.00 32.46 31.62 1th2 n ARG 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1th2 n TYR 93 N -1.26 0.00 -4.83 2.89 4.01 0.18 -4.79 117.16 113.36 1th2 n TYR 93 Ca 0.08 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.51 1th2 n TYR 93 Cb 0.12 -0.55 -0.14 0.00 -0.31 0.00 0.00 39.34 38.45 1th2 n TYR 93 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1th2 s SER 94 N -6.42 3.29 -0.08 7.72 0.15 -0.76 -2.46 113.70 115.15 1th2 s SER 94 Ca -0.23 -0.57 0.20 0.00 0.70 0.00 0.00 55.95 56.04 1th2 s SER 94 Cb 0.08 -0.34 0.71 0.00 -1.71 0.00 0.00 66.02 64.76 1th2 s SER 94 CO 0.31 0.25 1.61 2.29 1.20 0.00 0.00 173.24 178.90 1th2 n LYS 95 N 1.68 3.43 -1.86 5.44 2.85 0.51 -4.34 118.16 125.87 1th2 n LYS 95 Ca -0.17 -2.84 -0.43 0.00 -1.05 0.00 0.00 58.31 53.82 1th2 n LYS 95 Cb 0.52 -1.80 -0.03 0.00 -0.65 0.00 0.00 35.03 33.07 1th2 n LYS 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1th2 s ALA 96 N -1.57 2.95 0.55 0.58 0.00 -1.21 -4.82 121.76 118.24 1th2 s ALA 96 Ca 0.51 0.55 0.49 0.00 0.00 0.00 0.00 51.96 53.51 1th2 s ALA 96 Cb 0.31 -3.99 1.72 0.00 0.00 0.00 0.00 23.12 21.15 1th2 s ALA 96 CO 0.28 -2.48 1.59 -0.22 0.00 0.00 0.00 175.76 174.93 1th2 h LYS 97 N 13.04 0.00 -0.41 0.00 3.64 -1.93 0.77 116.57 131.67 1th2 h LYS 97 Ca -0.37 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1th2 h LYS 97 Cb 1.19 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1th2 h LYS 97 CO 0.99 0.00 0.27 -0.24 -2.27 0.00 0.00 179.45 178.21 1th2 h VAL 98 N 0.00 1.04 -0.74 2.00 3.04 -1.95 -0.45 116.25 119.20 1th2 h VAL 98 Ca 0.91 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 66.45 1th2 h VAL 98 Cb 3.63 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 33.46 1th2 h VAL 98 CO -0.04 0.08 0.00 0.49 -1.01 0.00 0.00 177.57 177.09 1th2 n PHE 99 N -4.48 0.98 -0.05 3.17 3.72 0.27 -4.77 117.46 116.30 1th2 n PHE 99 Ca 0.04 -0.49 -0.01 0.00 -0.05 0.00 0.00 57.45 56.94 1th2 n PHE 99 Cb 0.14 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 1th2 n PHE 99 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1th2 n GLU 100 N 1.68 -0.05 -4.57 -1.08 2.13 -0.18 -4.71 120.64 113.86 1th2 n GLU 100 Ca 0.25 0.87 -0.27 0.00 0.66 0.00 0.00 57.16 58.67 1th2 n GLU 100 Cb 0.63 -1.29 -0.09 0.00 0.27 0.00 0.00 31.44 30.96 1th2 n GLU 100 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1th2 s HIS 101 N -3.33 1.87 -0.23 4.31 3.76 -1.26 -4.93 115.29 115.49 1th2 s HIS 101 Ca -0.01 -1.12 -0.24 0.00 -0.15 0.00 0.00 55.06 53.54 1th2 s HIS 101 Cb 0.01 -1.32 -0.01 0.00 1.11 0.00 0.00 32.58 32.37 1th2 s HIS 101 CO 0.07 -0.08 0.78 0.42 -0.85 0.00 0.00 174.74 175.08 1th2 s ILE 102 N -3.12 4.88 0.00 0.60 -1.09 -1.26 -3.28 121.20 117.93 1th2 s ILE 102 Ca 0.22 1.47 0.00 0.00 -2.23 0.00 0.00 60.65 60.12 1th2 s ILE 102 Cb 0.04 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1th2 s ILE 102 CO 0.12 -0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.41 1th2 n GLY 103 N 3.78 0.66 3.63 6.18 0.00 0.28 -4.98 105.19 114.75 1th2 n GLY 103 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1th2 n GLY 103 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1th2 s LYS 104 N -0.96 3.75 0.09 1.61 2.36 -1.21 -4.74 119.74 120.64 1th2 s LYS 104 Ca 0.00 1.61 -0.16 0.00 -2.55 0.00 0.00 55.97 54.87 1th2 s LYS 104 Cb 0.00 -4.05 -0.07 0.00 -1.05 0.00 0.00 37.83 32.67 1th2 s LYS 104 CO 0.00 -1.35 0.52 1.03 1.55 0.00 0.00 175.35 177.10 1th2 s ARG 105 N 4.76 4.03 -0.04 4.03 0.52 -1.25 -2.95 118.95 128.05 1th2 s ARG 105 Ca 0.72 0.55 -0.02 0.00 -0.52 0.00 0.00 55.73 56.45 1th2 s ARG 105 Cb -0.24 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.17 1th2 s ARG 105 CO 0.30 0.58 0.09 0.99 0.02 0.00 0.00 175.30 177.28 1th2 s THR 106 N -1.27 -0.05 0.46 0.02 2.01 -0.73 -4.92 115.64 111.16 1th2 s THR 106 Ca 0.32 0.18 -0.25 0.00 0.31 0.00 0.00 61.69 62.25 1th2 s THR 106 Cb -0.17 -0.17 -0.08 0.00 0.01 0.00 0.00 72.50 72.10 1th2 s THR 106 CO 0.18 0.07 1.38 -2.84 -0.69 0.00 0.00 174.62 172.72 1th2 s PRO 107 N 1.05 3.65 0.15 4.92 0.02 -1.26 -0.92 135.00 142.61 1th2 s PRO 107 Ca -0.08 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.24 1th2 s PRO 107 Cb -0.11 -2.60 -0.04 0.00 0.02 0.00 0.00 34.50 31.77 1th2 s PRO 107 CO -0.04 -0.80 0.03 0.96 -0.33 0.00 0.00 177.00 176.81 1th2 s ILE 108 N -1.25 0.37 0.04 2.83 -4.36 -0.64 -1.65 121.20 116.54 1th2 s ILE 108 Ca 0.62 -1.94 0.01 0.00 -0.26 0.00 0.00 60.65 59.08 1th2 s ILE 108 Cb -0.41 -2.05 -0.03 0.00 1.25 0.00 0.00 42.46 41.22 1th2 s ILE 108 CO 0.52 -0.50 -0.05 0.00 0.24 0.00 0.00 174.94 175.15 1th2 s ALA 109 N -3.86 0.41 -0.11 2.27 0.00 -0.58 -2.16 121.76 117.72 1th2 s ALA 109 Ca 0.23 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.31 1th2 s ALA 109 Cb 0.07 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.34 1th2 s ALA 109 CO 0.02 -0.13 0.29 0.08 0.00 0.00 0.00 175.76 176.03 1th2 s VAL 110 N -1.83 -0.00 -0.06 0.00 1.01 0.69 -1.17 120.40 119.05 1th2 s VAL 110 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1th2 s VAL 110 Cb -0.07 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 35.92 1th2 s VAL 110 CO -0.02 0.00 0.01 -0.60 0.00 0.00 0.00 175.10 174.49 1th2 s ARG 111 N 0.20 0.47 0.05 2.72 3.52 -1.04 -1.19 118.95 123.68 1th2 s ARG 111 Ca -0.00 0.13 -0.01 0.00 -0.13 0.00 0.00 55.73 55.72 1th2 s ARG 111 Cb -0.02 -0.82 -0.04 0.00 -1.56 0.00 0.00 34.95 32.50 1th2 s ARG 111 CO 0.00 -0.27 0.21 -0.06 -0.81 0.00 0.00 175.30 174.37 1th2 s PHE 112 N 1.80 3.53 0.23 5.12 0.08 0.17 -2.50 117.98 126.41 1th2 s PHE 112 Ca 0.02 0.29 -0.23 0.00 0.12 0.00 0.00 56.93 57.13 1th2 s PHE 112 Cb -0.13 -1.79 0.04 0.00 -0.57 0.00 0.00 43.02 40.57 1th2 s PHE 112 CO -0.04 0.59 0.81 -1.54 -0.10 0.00 0.00 175.22 174.94 1th2 s SER 113 N -2.38 -0.24 0.28 1.36 1.04 -0.87 -0.87 113.70 112.02 1th2 s SER 113 Ca 0.34 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1th2 s SER 113 Cb -0.13 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1th2 s SER 113 CO 0.26 -1.17 0.00 0.35 0.98 0.00 0.00 173.24 173.66 1th2 n THR 114 N -0.46 0.00 0.00 2.02 -2.24 -0.87 0.43 114.28 113.17 1th2 n THR 114 Ca -0.05 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.70 1th2 n THR 114 Cb 0.60 -1.35 -0.01 0.00 -2.10 0.00 0.00 70.33 67.47 1th2 n THR 114 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1th2 n VAL 115 N -1.09 1.20 0.07 2.28 0.31 -1.26 -3.75 118.33 116.09 1th2 n VAL 115 Ca 0.00 0.30 -0.19 0.00 -0.01 0.00 0.00 64.34 64.44 1th2 n VAL 115 Cb 0.00 -1.78 -0.15 0.00 -0.91 0.00 0.00 33.84 31.01 1th2 n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1th2 h ALA 116 N -0.37 0.20 -2.84 3.52 0.00 -1.94 0.22 119.26 118.05 1th2 h ALA 116 Ca 0.00 -1.09 -0.54 0.00 0.00 0.00 0.00 54.91 53.28 1th2 h ALA 116 Cb 0.30 0.31 0.10 0.00 0.00 0.00 0.00 17.79 18.51 1th2 h ALA 116 CO 0.00 1.07 0.81 0.41 0.00 0.00 0.00 179.25 181.54 1th2 n GLY 117 N 1.72 1.24 1.36 0.00 0.00 -1.26 -4.85 105.19 103.39 1th2 n GLY 117 Ca -0.19 0.38 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 1th2 n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1th2 n GLU 118 N 1.25 -1.72 -0.14 1.61 4.71 -1.26 -3.55 120.64 121.54 1th2 n GLU 118 Ca 0.05 -0.68 0.07 0.00 -0.01 0.00 0.00 57.16 56.58 1th2 n GLU 118 Cb 0.38 -0.62 0.38 0.00 -1.01 0.00 0.00 31.44 30.57 1th2 n GLU 118 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1th2 h SER 119 N -1.59 0.60 0.64 1.62 0.02 -1.95 -2.68 113.55 110.21 1th2 h SER 119 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1th2 h SER 119 Cb 0.48 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1th2 h SER 119 CO 0.10 0.39 -0.34 0.61 -1.14 0.00 0.00 176.83 176.46 1th2 n GLY 120 N -1.46 -1.31 3.35 -3.77 0.00 -1.26 -4.76 105.19 95.97 1th2 n GLY 120 Ca 0.09 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1th2 n GLY 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1th2 n SER 121 N -1.47 -2.77 -4.89 1.61 3.41 -1.01 -5.02 113.62 103.47 1th2 n SER 121 Ca 0.06 -0.44 -0.32 0.00 -0.26 0.00 0.00 58.87 57.91 1th2 n SER 121 Cb 0.34 -1.13 -0.05 0.00 -0.26 0.00 0.00 64.21 63.11 1th2 n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th2 s ALA 122 N -2.27 3.80 0.08 7.33 0.00 -1.26 -4.85 121.76 124.59 1th2 s ALA 122 Ca 0.67 -0.55 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 1th2 s ALA 122 Cb -0.20 -2.13 -0.09 0.00 0.00 0.00 0.00 23.12 20.70 1th2 s ALA 122 CO 0.62 0.67 1.44 -0.44 0.00 0.00 0.00 175.76 178.05 1th2 h ASP 123 N 2.98 0.58 -2.25 0.00 3.32 -0.10 -3.41 116.42 117.54 1th2 h ASP 123 Ca -0.46 -0.42 -0.71 0.00 0.02 0.00 0.00 57.03 55.45 1th2 h ASP 123 Cb 1.17 -0.16 -0.17 0.00 0.22 0.00 0.00 39.33 40.38 1th2 h ASP 123 CO 0.72 0.87 1.12 0.42 -1.72 0.00 0.00 179.24 180.65 1th2 s THR 124 N -4.56 4.86 0.07 0.35 -4.23 -1.26 -4.92 115.64 105.95 1th2 s THR 124 Ca -0.13 -2.10 -0.09 0.00 -1.18 0.00 0.00 61.69 58.19 1th2 s THR 124 Cb 0.08 -4.86 0.00 0.00 1.34 0.00 0.00 72.50 69.06 1th2 s THR 124 CO 0.79 -1.58 0.19 0.68 -0.54 0.00 0.00 174.62 174.16 1th2 s VAL 125 N 2.18 0.13 -0.12 2.29 -7.23 -1.26 -4.45 120.40 111.94 1th2 s VAL 125 Ca 0.38 -1.06 -0.29 0.00 -1.81 0.00 0.00 61.98 59.20 1th2 s VAL 125 Cb -0.04 -1.15 -0.06 0.00 0.56 0.00 0.00 36.38 35.69 1th2 s VAL 125 CO -0.04 -0.59 1.98 -0.60 -0.31 0.00 0.00 175.10 175.54 1th2 s ARG 126 N -3.30 3.67 0.00 4.82 6.06 -1.26 -4.67 118.95 124.28 1th2 s ARG 126 Ca 0.01 2.16 0.00 0.00 -2.50 0.00 0.00 55.73 55.40 1th2 s ARG 126 Cb 0.02 -4.22 0.00 0.00 0.06 0.00 0.00 34.95 30.82 1th2 s ARG 126 CO -0.08 -1.48 0.00 -3.47 -2.50 0.00 0.00 175.30 167.77 1th2 n ASP 127 N 9.36 0.00 -3.35 -2.12 2.03 -1.18 -5.06 116.55 116.23 1th2 n ASP 127 Ca 0.23 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.25 1th2 n ASP 127 Cb 0.44 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 41.10 1th2 n ASP 127 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1th2 n PRO 128 N -0.07 -4.06 -4.68 -0.67 -0.02 -1.26 -4.79 135.00 119.44 1th2 n PRO 128 Ca 0.00 -1.54 -0.23 0.00 -2.02 0.00 0.00 63.50 59.70 1th2 n PRO 128 Cb 0.00 -1.73 -0.15 0.00 -0.02 0.00 0.00 33.50 31.59 1th2 n PRO 128 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1th2 s ARG 129 N -5.19 1.35 0.02 -0.52 3.00 -1.26 -3.98 118.95 112.37 1th2 s ARG 129 Ca 0.67 -0.51 -0.20 0.00 0.00 0.00 0.00 55.73 55.68 1th2 s ARG 129 Cb -0.09 -1.24 -0.06 0.00 0.00 0.00 0.00 34.95 33.56 1th2 s ARG 129 CO 0.54 0.25 0.59 0.20 0.00 0.00 0.00 175.30 176.88 1th2 s GLY 130 N -0.11 2.64 -0.44 -3.53 0.00 0.17 -0.47 107.32 105.57 1th2 s GLY 130 Ca 0.01 0.04 0.03 0.00 0.00 0.00 0.00 44.72 44.80 1th2 s GLY 130 CO 0.01 0.66 0.33 -0.12 0.00 0.00 0.00 173.10 173.97 1th2 s PHE 131 N -0.50 1.45 -0.22 1.90 2.19 -0.89 -2.05 117.98 119.86 1th2 s PHE 131 Ca 0.30 -2.35 -0.13 0.00 0.33 0.00 0.00 56.93 55.08 1th2 s PHE 131 Cb -0.19 -1.25 -0.04 0.00 -1.31 0.00 0.00 43.02 40.23 1th2 s PHE 131 CO 0.18 -0.79 0.29 0.00 1.83 0.00 0.00 175.22 176.74 1th2 s ALA 132 N 0.06 3.58 -0.23 11.12 0.00 -1.04 -1.86 121.76 133.39 1th2 s ALA 132 Ca 0.28 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 1th2 s ALA 132 Cb -0.05 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.59 1th2 s ALA 132 CO -0.14 -0.26 -0.08 0.08 0.00 0.00 0.00 175.76 175.37 1th2 s VAL 133 N 1.21 2.92 -0.33 0.00 1.01 -0.85 -2.50 120.40 121.85 1th2 s VAL 133 Ca 0.14 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 1th2 s VAL 133 Cb -0.14 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1th2 s VAL 133 CO 0.06 0.34 0.28 -0.75 0.00 0.00 0.00 175.10 175.04 1th2 s LYS 134 N 1.38 3.58 -0.33 2.72 2.20 -0.31 -1.16 119.74 127.81 1th2 s LYS 134 Ca 0.03 -0.51 -0.12 0.00 -0.36 0.00 0.00 55.97 55.01 1th2 s LYS 134 Cb -0.15 -3.79 -0.02 0.00 -1.51 0.00 0.00 37.83 32.36 1th2 s LYS 134 CO -0.05 -0.44 0.22 -0.06 -0.36 0.00 0.00 175.35 174.65 1th2 s PHE 135 N 1.84 3.22 -1.05 4.03 0.40 -0.17 -1.53 117.98 124.73 1th2 s PHE 135 Ca 0.08 -0.19 -0.16 0.00 -0.60 0.00 0.00 56.93 56.06 1th2 s PHE 135 Cb -0.17 -2.44 0.16 0.00 0.51 0.00 0.00 43.02 41.08 1th2 s PHE 135 CO 0.11 -0.34 1.24 0.71 0.70 0.00 0.00 175.22 177.64 1th2 s TYR 136 N 1.72 3.39 0.60 0.36 2.02 -0.66 -0.96 117.35 123.81 1th2 s TYR 136 Ca 0.06 -1.82 0.03 0.00 -0.37 0.00 0.00 57.07 54.98 1th2 s TYR 136 Cb -0.17 -4.24 0.08 0.00 -0.40 0.00 0.00 41.96 37.22 1th2 s TYR 136 CO 0.10 -1.39 0.83 0.95 -1.57 0.00 0.00 175.55 174.47 1th2 s THR 137 N 1.85 2.40 -0.09 -0.71 -4.23 -1.02 -4.38 115.64 109.44 1th2 s THR 137 Ca 0.36 -0.76 0.30 0.00 -1.18 0.00 0.00 61.69 60.41 1th2 s THR 137 Cb -0.05 -2.64 0.37 0.00 1.34 0.00 0.00 72.50 71.53 1th2 s THR 137 CO -0.05 0.00 1.86 -0.33 -0.54 0.00 0.00 174.62 175.56 1th2 h GLU 138 N -0.05 0.00 -0.91 3.99 3.07 -1.95 -2.72 114.58 116.01 1th2 h GLU 138 Ca -0.37 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 57.97 1th2 h GLU 138 Cb 1.28 0.00 -0.28 0.00 -0.84 0.00 0.00 28.75 28.91 1th2 h GLU 138 CO 0.44 0.00 0.58 -0.25 -1.40 0.00 0.00 179.01 178.38 1th2 n ASP 139 N -3.04 4.65 0.00 1.42 8.00 -1.26 -4.68 116.55 121.63 1th2 n ASP 139 Ca 0.02 -3.68 0.00 0.00 0.71 0.00 0.00 54.79 51.83 1th2 n ASP 139 Cb 0.37 -0.84 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 1th2 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1th2 n GLY 140 N -1.07 -0.40 3.79 0.44 0.00 -1.02 -4.50 105.19 102.42 1th2 n GLY 140 Ca 0.57 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 1th2 n GLY 140 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th2 s ASN 141 N -1.28 7.23 -0.19 1.61 0.01 -1.26 -2.45 114.94 118.62 1th2 s ASN 141 Ca 0.00 1.67 -0.00 0.00 -0.71 0.00 0.00 52.86 53.82 1th2 s ASN 141 Cb 0.00 -2.52 0.01 0.00 0.41 0.00 0.00 41.25 39.16 1th2 s ASN 141 CO 0.00 -0.02 -0.16 0.86 -1.51 0.00 0.00 177.10 176.27 1th2 s TRP 142 N -1.57 2.82 -0.34 2.20 -0.00 -0.14 -4.18 118.94 117.73 1th2 s TRP 142 Ca 0.47 -1.45 -0.10 0.00 -0.00 0.00 0.00 56.10 55.02 1th2 s TRP 142 Cb -0.18 -1.96 0.01 0.00 -0.00 0.00 0.00 33.47 31.34 1th2 s TRP 142 CO 0.23 -0.73 0.17 -0.51 -0.00 0.00 0.00 176.95 176.10 1th2 s ASP 143 N 1.32 5.58 -0.99 5.86 1.01 -0.84 -1.00 116.67 127.62 1th2 s ASP 143 Ca 0.05 -0.81 -0.13 0.00 0.71 0.00 0.00 52.55 52.37 1th2 s ASP 143 Cb -0.13 -1.99 0.22 0.00 1.01 0.00 0.00 42.92 42.03 1th2 s ASP 143 CO -0.10 -0.30 1.01 -0.22 0.21 0.00 0.00 175.17 175.78 1th2 s LEU 144 N 1.56 6.21 -1.18 1.23 2.96 -0.31 -4.41 118.68 124.74 1th2 s LEU 144 Ca 0.03 -2.98 -0.17 0.00 -0.22 0.00 0.00 54.13 50.79 1th2 s LEU 144 Cb -0.18 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 1th2 s LEU 144 CO 0.06 -0.55 2.11 0.52 -1.32 0.00 0.00 176.35 177.17 1th2 n VAL 145 N 3.77 2.79 -1.00 1.68 0.31 -1.26 -2.02 118.33 122.61 1th2 n VAL 145 Ca 0.21 -2.44 -0.06 0.00 -0.01 0.00 0.00 64.34 62.04 1th2 n VAL 145 Cb 0.44 -2.49 0.04 0.00 -0.91 0.00 0.00 33.84 30.92 1th2 n VAL 145 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1th2 n GLY 146 N 4.28 -1.63 3.36 2.92 0.00 -0.78 -4.89 105.19 108.45 1th2 n GLY 146 Ca 0.51 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 1th2 n GLY 146 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th2 s ASN 147 N -2.01 0.24 -0.05 1.61 -0.87 -0.76 -2.09 114.94 111.02 1th2 s ASN 147 Ca 0.15 -1.27 0.06 0.00 -1.57 0.00 0.00 52.86 50.22 1th2 s ASN 147 Cb -0.01 0.49 0.26 0.00 -0.02 0.00 0.00 41.25 41.97 1th2 s ASN 147 CO 0.11 -1.00 1.04 -0.46 -2.57 0.00 0.00 177.10 174.22 1th2 n ASN 148 N -0.50 2.14 -3.87 -1.22 6.94 0.38 -0.45 115.26 118.68 1th2 n ASN 148 Ca 0.01 -2.19 -0.10 0.00 -0.02 0.00 0.00 54.58 52.28 1th2 n ASN 148 Cb 0.64 -0.40 -0.09 0.00 -2.36 0.00 0.00 39.78 37.57 1th2 n ASN 148 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1th2 s THR 149 N -1.63 0.11 -1.35 5.53 -1.32 -1.26 -4.65 115.64 111.06 1th2 s THR 149 Ca 0.18 -0.90 0.26 0.00 -1.21 0.00 0.00 61.69 60.02 1th2 s THR 149 Cb 0.12 -0.81 0.13 0.00 -1.51 0.00 0.00 72.50 70.43 1th2 s THR 149 CO 0.08 -0.50 1.49 -0.81 -2.21 0.00 0.00 174.62 172.68 1th2 n PRO 150 N 0.86 0.39 -4.56 7.08 -0.05 -1.26 -4.50 135.00 132.95 1th2 n PRO 150 Ca -0.20 -0.23 -0.26 0.00 -0.05 0.00 0.00 63.50 62.77 1th2 n PRO 150 Cb 0.58 -1.50 -0.09 0.00 -0.05 0.00 0.00 33.50 32.44 1th2 n PRO 150 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 175.50 176.41 1th2 s ILE 151 N -2.77 1.12 0.03 0.52 -4.36 -1.26 -4.42 121.20 110.06 1th2 s ILE 151 Ca 0.17 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.55 1th2 s ILE 151 Cb 0.18 -2.56 -0.03 0.00 1.25 0.00 0.00 42.46 41.31 1th2 s ILE 151 CO 0.62 0.00 -0.01 0.12 0.24 0.00 0.00 174.94 175.90 1th2 s PHE 152 N -3.10 0.34 0.58 1.37 5.36 -0.93 -4.97 117.98 116.63 1th2 s PHE 152 Ca 0.26 -0.71 0.34 0.00 -0.96 0.00 0.00 56.93 55.86 1th2 s PHE 152 Cb 0.06 -0.25 1.39 0.00 -0.34 0.00 0.00 43.02 43.87 1th2 s PHE 152 CO 0.13 -0.28 1.67 0.74 -1.46 0.00 0.00 175.22 176.02 1th2 h PHE 153 N 4.01 0.00 -4.13 10.12 0.04 -1.91 -3.35 116.94 121.72 1th2 h PHE 153 Ca -0.33 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.31 1th2 h PHE 153 Cb 1.18 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.19 1th2 h PHE 153 CO 0.60 0.00 -0.51 0.96 -0.60 0.00 0.00 178.31 178.76 1th2 s ILE 154 N -4.70 0.12 -0.16 -0.55 -4.36 -1.26 -2.57 121.20 107.72 1th2 s ILE 154 Ca -0.04 -1.62 0.16 0.00 -0.26 0.00 0.00 60.65 58.88 1th2 s ILE 154 Cb 0.19 -1.77 0.34 0.00 1.25 0.00 0.00 42.46 42.46 1th2 s ILE 154 CO 0.65 -0.55 1.17 -2.11 0.24 0.00 0.00 174.94 174.35 1th2 n ARG 155 N -0.08 1.35 -3.80 0.37 1.85 -1.26 -4.60 116.66 110.49 1th2 n ARG 155 Ca -0.09 -2.82 -0.13 0.00 -1.00 0.00 0.00 57.85 53.81 1th2 n ARG 155 Cb 0.63 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.41 1th2 n ARG 155 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1th2 s ASP 156 N -2.96 -0.15 0.09 2.89 -1.08 -1.26 -4.15 116.67 110.04 1th2 s ASP 156 Ca 0.34 0.32 -0.26 0.00 -0.52 0.00 0.00 52.55 52.43 1th2 s ASP 156 Cb 0.31 0.29 -0.15 0.00 -1.46 0.00 0.00 42.92 41.91 1th2 s ASP 156 CO -0.01 -0.08 1.70 0.00 0.52 0.00 0.00 175.17 177.29 1th2 h ALA 157 N 6.32 -0.27 -0.60 3.66 0.00 -1.87 -2.88 119.26 123.61 1th2 h ALA 157 Ca -0.30 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 54.73 1th2 h ALA 157 Cb 1.18 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1th2 h ALA 157 CO 0.41 -0.66 0.85 -0.07 0.00 0.00 0.00 179.25 179.78 1th2 h LEU 158 N -0.28 0.00 0.00 0.00 3.38 -1.97 0.39 115.31 116.82 1th2 h LEU 158 Ca -0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1th2 h LEU 158 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1th2 h LEU 158 CO 0.02 0.00 -0.79 -0.07 0.09 0.00 0.00 178.44 177.68 1th2 h LEU 159 N 0.00 0.00 0.48 1.67 -0.00 -1.95 -3.40 115.31 112.11 1th2 h LEU 159 Ca 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.15 1th2 h LEU 159 Cb 1.99 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.62 1th2 h LEU 159 CO -0.00 0.57 -0.45 0.15 -0.00 0.00 0.00 178.44 178.71 1th2 h PHE 160 N 0.00 -1.22 -0.77 1.13 3.57 -0.31 0.68 116.94 120.03 1th2 h PHE 160 Ca -0.05 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.64 1th2 h PHE 160 Cb 1.48 0.47 -0.04 0.00 2.79 0.00 0.00 35.95 40.64 1th2 h PHE 160 CO 0.00 -0.62 0.52 -1.00 -2.23 0.00 0.00 178.31 174.99 1th2 h PRO 161 N -0.93 0.23 0.03 6.41 0.13 -1.77 0.27 132.00 136.37 1th2 h PRO 161 Ca -0.05 -0.01 -0.25 0.00 -0.87 0.00 0.00 66.00 64.82 1th2 h PRO 161 Cb 0.81 -0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.90 1th2 h PRO 161 CO -0.04 0.15 -1.03 0.77 -0.23 0.00 0.00 178.00 177.62 1th2 h SER 162 N 0.24 0.62 0.20 1.44 0.02 -1.62 -2.79 113.55 111.67 1th2 h SER 162 Ca 0.38 -0.52 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1th2 h SER 162 Cb 1.13 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1th2 h SER 162 CO -0.09 1.33 -0.10 0.15 -1.14 0.00 0.00 176.83 176.99 1th2 h PHE 163 N 0.24 -0.25 -0.72 3.45 3.57 0.29 -2.91 116.94 120.62 1th2 h PHE 163 Ca -0.11 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.53 1th2 h PHE 163 Cb 1.68 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 40.46 1th2 h PHE 163 CO 0.07 0.01 0.48 0.82 -2.23 0.00 0.00 178.31 177.47 1th2 h ILE 164 N -0.49 0.81 -0.15 1.41 1.08 -0.67 -2.01 117.51 117.48 1th2 h ILE 164 Ca -0.03 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1th2 h ILE 164 Cb 0.37 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 1th2 h ILE 164 CO 0.04 0.07 0.04 0.45 -0.69 0.00 0.00 178.15 178.07 1th2 h HIS 165 N 0.39 0.24 -0.38 1.37 3.86 -1.30 -2.57 115.15 116.76 1th2 h HIS 165 Ca 0.35 -0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.64 1th2 h HIS 165 Cb 0.81 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 1th2 h HIS 165 CO -0.00 0.35 0.32 0.66 0.86 0.00 0.00 177.93 180.12 1th2 h SER 166 N 0.06 0.00 1.54 2.45 4.64 -1.24 0.04 113.55 121.04 1th2 h SER 166 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1th2 h SER 166 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1th2 h SER 166 CO -0.00 0.00 -0.41 1.56 -0.87 0.00 0.00 176.83 177.11 1th2 h GLN 167 N 0.00 0.00 0.00 4.77 1.08 -1.36 -3.12 115.11 116.48 1th2 h GLN 167 Ca 0.18 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.31 1th2 h GLN 167 Cb 0.82 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.25 1th2 h GLN 167 CO -0.00 0.00 -0.00 1.63 -0.95 0.00 0.00 178.83 179.51 1th2 n LYS 168 N -2.85 0.83 -0.79 1.46 4.76 0.00 -4.90 118.16 116.67 1th2 n LYS 168 Ca 0.03 -0.44 -0.31 0.00 -2.87 0.00 0.00 58.31 54.72 1th2 n LYS 168 Cb 0.53 -0.05 0.16 0.00 -1.84 0.00 0.00 35.03 33.83 1th2 n LYS 168 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1th2 s ARG 169 N -2.48 0.98 0.30 1.97 0.52 -1.26 -4.22 118.95 114.76 1th2 s ARG 169 Ca 0.09 1.37 -0.28 0.00 -0.52 0.00 0.00 55.73 56.38 1th2 s ARG 169 Cb -0.01 -1.74 -0.09 0.00 0.52 0.00 0.00 34.95 33.63 1th2 s ARG 169 CO 0.06 -2.59 1.07 1.21 0.02 0.00 0.00 175.30 175.07 1th2 s ASN 170 N -2.81 7.20 0.43 0.23 3.84 0.13 -4.84 114.94 119.11 1th2 s ASN 170 Ca 0.66 2.19 0.21 0.00 0.21 0.00 0.00 52.86 56.13 1th2 s ASN 170 Cb -0.22 -2.62 1.18 0.00 -0.55 0.00 0.00 41.25 39.05 1th2 s ASN 170 CO 0.58 -0.18 1.79 -0.65 -2.79 0.00 0.00 177.10 175.85 1th2 h PRO 171 N 3.57 0.31 0.00 0.43 0.11 -1.94 -1.00 132.00 133.48 1th2 h PRO 171 Ca -0.47 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.46 1th2 h PRO 171 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1th2 h PRO 171 CO 0.66 0.21 -1.47 0.94 -0.21 0.00 0.00 178.00 178.13 1th2 n GLN 172 N -4.54 0.23 0.12 1.05 7.27 -1.26 -4.68 117.38 115.56 1th2 n GLN 172 Ca 0.25 0.10 0.13 0.00 0.07 0.00 0.00 57.00 57.54 1th2 n GLN 172 Cb 0.92 -0.89 0.44 0.00 2.41 0.00 0.00 30.24 33.12 1th2 n GLN 172 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1th2 n THR 173 N -3.54 0.68 -1.80 1.69 -2.24 -1.25 -4.92 114.28 102.89 1th2 n THR 173 Ca -0.20 -0.10 -0.20 0.00 -2.27 0.00 0.00 64.05 61.28 1th2 n THR 173 Cb 0.60 -0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 67.96 1th2 n THR 173 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1th2 n HIS 174 N -2.26 -0.25 -3.97 4.78 -0.00 -0.38 -4.89 115.22 108.25 1th2 n HIS 174 Ca 0.04 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 58.00 1th2 n HIS 174 Cb 0.36 -3.53 -0.05 0.00 -0.12 0.00 0.00 29.99 26.64 1th2 n HIS 174 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1th2 s LEU 175 N -4.95 3.32 0.25 0.27 1.43 -1.26 -4.48 118.68 113.26 1th2 s LEU 175 Ca 0.00 -0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 52.04 1th2 s LEU 175 Cb 0.00 -1.83 -0.10 0.00 0.03 0.00 0.00 46.19 44.29 1th2 s LEU 175 CO 0.00 -0.40 1.34 -0.54 0.23 0.00 0.00 176.35 176.98 1th2 s LYS 176 N -3.93 4.35 -0.24 1.70 -0.14 -1.26 0.18 119.74 120.41 1th2 s LYS 176 Ca 0.40 2.16 0.01 0.00 -1.36 0.00 0.00 55.97 57.18 1th2 s LYS 176 Cb -0.02 -3.14 0.06 0.00 -1.68 0.00 0.00 37.83 33.05 1th2 s LYS 176 CO 0.24 -0.27 -0.06 0.34 -0.76 0.00 0.00 175.35 174.84 1th2 s ASP 177 N 0.10 3.89 0.52 2.83 -1.08 -1.26 -4.89 116.67 116.78 1th2 s ASP 177 Ca 0.55 -1.19 0.34 0.00 -0.52 0.00 0.00 52.55 51.73 1th2 s ASP 177 Cb -0.39 -1.20 1.47 0.00 -1.46 0.00 0.00 42.92 41.34 1th2 s ASP 177 CO 0.43 -0.23 1.99 1.55 0.52 0.00 0.00 175.17 179.44 1th2 h PRO 178 N 7.94 0.00 -0.11 4.34 0.13 -1.90 -1.15 132.00 141.25 1th2 h PRO 178 Ca -0.18 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.85 1th2 h PRO 178 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1th2 h PRO 178 CO 0.42 0.00 -0.41 -0.44 -0.23 0.00 0.00 178.00 177.34 1th2 h ASP 179 N 0.00 0.24 0.06 1.44 3.32 -1.94 -1.96 116.42 117.58 1th2 h ASP 179 Ca 0.00 -0.10 -0.21 0.00 0.02 0.00 0.00 57.03 56.74 1th2 h ASP 179 Cb 0.40 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1th2 h ASP 179 CO 0.00 0.63 -1.07 0.24 -1.72 0.00 0.00 179.24 177.31 1th2 h MET 180 N 0.20 0.12 -0.37 3.56 0.00 -1.71 -2.19 114.93 114.53 1th2 h MET 180 Ca 0.02 -0.21 0.04 0.00 0.00 0.00 0.00 59.70 59.55 1th2 h MET 180 Cb 0.80 0.08 -0.06 0.00 0.00 0.00 0.00 31.60 32.42 1th2 h MET 180 CO 0.06 1.10 -0.42 0.28 0.00 0.00 0.00 176.91 177.94 1th2 h VAL 181 N -0.65 0.00 -0.06 -2.22 2.07 -1.16 -1.41 116.25 112.82 1th2 h VAL 181 Ca -0.25 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.10 1th2 h VAL 181 Cb 1.47 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1th2 h VAL 181 CO -0.03 0.00 -0.69 -0.50 0.02 0.00 0.00 177.57 176.37 1th2 h TRP 182 N -0.25 0.35 0.07 1.57 4.06 -1.53 -2.80 115.95 117.42 1th2 h TRP 182 Ca 0.06 -0.15 0.02 0.00 2.06 0.00 0.00 58.89 60.88 1th2 h TRP 182 Cb 0.42 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.49 1th2 h TRP 182 CO -0.74 0.87 -0.18 0.22 -3.56 0.00 0.00 178.44 175.05 1th2 h ASP 183 N 0.18 -0.50 0.04 -3.49 1.82 -1.03 0.95 116.42 114.38 1th2 h ASP 183 Ca -0.02 0.06 0.02 0.00 -0.39 0.00 0.00 57.03 56.70 1th2 h ASP 183 Cb 1.24 0.20 -0.02 0.00 0.68 0.00 0.00 39.33 41.42 1th2 h ASP 183 CO 0.11 -0.25 -0.13 0.15 -1.61 0.00 0.00 179.24 177.50 1th2 h PHE 184 N -0.33 -0.34 -0.29 0.28 3.57 -1.30 -1.38 116.94 117.15 1th2 h PHE 184 Ca 0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1th2 h PHE 184 Cb 0.36 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1th2 h PHE 184 CO -0.19 -0.20 0.15 -1.49 -2.23 0.00 0.00 178.31 174.34 1th2 h TRP 185 N -0.25 0.37 0.43 0.41 6.55 -1.19 -0.59 115.95 121.69 1th2 h TRP 185 Ca 0.03 -0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.85 1th2 h TRP 185 Cb 0.28 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 28.46 1th2 h TRP 185 CO -0.17 0.28 -0.21 0.77 -1.05 0.00 0.00 178.44 178.06 1th2 h SER 186 N 0.39 -0.49 0.48 -3.49 0.02 0.15 -3.01 113.55 107.61 1th2 h SER 186 Ca 0.10 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1th2 h SER 186 Cb 0.03 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1th2 h SER 186 CO -0.02 -0.10 0.00 -0.07 -1.14 0.00 0.00 176.83 175.51 1th2 h LEU 187 N -0.95 0.00 -7.24 5.07 3.38 -1.17 -3.32 115.31 111.07 1th2 h LEU 187 Ca -0.06 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.28 1th2 h LEU 187 Cb 0.56 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.90 1th2 h LEU 187 CO 0.10 0.00 -0.61 -0.13 0.09 0.00 0.00 178.44 177.89 1th2 s ARG 188 N -3.62 2.17 0.00 1.13 1.81 -0.24 -4.95 118.95 115.25 1th2 s ARG 188 Ca 0.00 -2.92 0.18 0.00 -1.72 0.00 0.00 55.73 51.27 1th2 s ARG 188 Cb 0.09 -3.34 0.82 0.00 -0.45 0.00 0.00 34.95 32.08 1th2 s ARG 188 CO 0.38 -1.19 1.58 -0.35 -0.68 0.00 0.00 175.30 175.05 1th2 n PRO 189 N 2.63 0.07 0.26 3.54 -0.04 -1.24 -3.32 135.00 136.90 1th2 n PRO 189 Ca 0.11 0.17 0.16 0.00 -0.04 0.00 0.00 63.50 63.90 1th2 n PRO 189 Cb 0.33 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 32.86 1th2 n PRO 189 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1th2 h GLU 190 N 0.00 0.00 0.00 0.54 9.09 -1.85 -2.71 114.58 119.65 1th2 h GLU 190 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1th2 h GLU 190 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1th2 h GLU 190 CO 0.00 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.72 1th2 h SER 191 N 0.00 0.00 -0.92 3.06 4.64 -1.49 -3.33 113.55 115.51 1th2 h SER 191 Ca 0.00 0.00 0.37 0.00 -0.47 0.00 0.00 61.79 61.69 1th2 h SER 191 Cb 0.62 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.55 1th2 h SER 191 CO 0.00 0.00 0.43 0.18 -0.87 0.00 0.00 176.83 176.57 1th2 n LEU 192 N -2.75 0.26 0.47 5.97 4.77 -1.02 -0.74 117.00 123.96 1th2 n LEU 192 Ca 0.01 1.53 -0.19 0.00 -0.03 0.00 0.00 56.01 57.34 1th2 n LEU 192 Cb 0.28 -0.72 -0.09 0.00 -2.33 0.00 0.00 43.42 40.56 1th2 n LEU 192 CO 0.24 -1.69 0.50 -0.74 -1.33 0.00 0.00 177.39 174.38 1th2 h HIS 193 N 0.00 -1.11 0.00 -1.77 2.76 -1.83 -2.58 115.15 110.63 1th2 h HIS 193 Ca 0.75 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.82 1th2 h HIS 193 Cb 1.94 0.37 -0.01 0.00 1.55 0.00 0.00 27.41 31.25 1th2 h HIS 193 CO -0.08 -0.69 -0.35 1.96 -1.30 0.00 0.00 177.93 177.47 1th2 h GLN 194 N -1.29 0.00 -0.30 5.26 1.08 -1.52 -2.40 115.11 115.93 1th2 h GLN 194 Ca -0.12 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 56.98 1th2 h GLN 194 Cb 0.92 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.34 1th2 h GLN 194 CO 0.20 0.35 -0.22 0.28 -0.95 0.00 0.00 178.83 178.49 1th2 h VAL 195 N 0.00 1.26 -0.16 -0.54 2.07 -0.93 0.58 116.25 118.53 1th2 h VAL 195 Ca -0.00 -1.26 -0.22 0.00 0.82 0.00 0.00 66.70 66.04 1th2 h VAL 195 Cb 0.68 1.28 0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1th2 h VAL 195 CO 0.05 0.41 -0.75 0.28 0.02 0.00 0.00 177.57 177.57 1th2 h SER 196 N 0.51 0.91 -0.43 0.57 0.02 -1.24 -1.79 113.55 112.10 1th2 h SER 196 Ca 0.08 -0.58 -0.07 0.00 -0.84 0.00 0.00 61.79 60.37 1th2 h SER 196 Cb 0.67 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1th2 h SER 196 CO 0.05 1.38 -0.03 0.15 -1.14 0.00 0.00 176.83 177.24 1th2 h PHE 197 N 0.53 0.85 -0.01 3.45 3.04 -1.12 -2.06 116.94 121.62 1th2 h PHE 197 Ca -0.04 -0.16 -0.00 0.00 3.98 0.00 0.00 57.97 61.75 1th2 h PHE 197 Cb 1.37 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 39.67 1th2 h PHE 197 CO 0.08 0.85 0.01 1.25 -2.02 0.00 0.00 178.31 178.47 1th2 h LEU 198 N 0.60 0.01 0.00 0.59 5.85 0.24 -2.36 115.31 120.25 1th2 h LEU 198 Ca 0.12 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1th2 h LEU 198 Cb 0.53 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1th2 h LEU 198 CO 0.03 0.09 0.00 0.49 -0.34 0.00 0.00 178.44 178.70 1th2 n PHE 199 N -5.04 0.00 -1.69 1.25 3.01 -0.68 -3.27 117.46 111.03 1th2 n PHE 199 Ca -0.07 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.15 1th2 n PHE 199 Cb 0.06 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 39.70 1th2 n PHE 199 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1th2 n SER 200 N -0.95 -0.07 0.14 4.37 3.41 -0.78 -4.31 113.62 115.44 1th2 n SER 200 Ca 0.17 -1.36 0.10 0.00 -0.26 0.00 0.00 58.87 57.51 1th2 n SER 200 Cb 0.08 -0.83 0.60 0.00 -0.26 0.00 0.00 64.21 63.80 1th2 n SER 200 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1th2 h ASP 201 N -1.50 0.11 0.00 4.04 5.19 -1.86 -1.18 116.42 121.22 1th2 h ASP 201 Ca -0.35 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1th2 h ASP 201 Cb 0.97 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.45 1th2 h ASP 201 CO 0.24 0.08 0.00 0.54 -3.12 0.00 0.00 179.24 176.98 1th2 n ARG 202 N -4.49 0.56 0.26 3.56 5.12 -1.26 -3.49 116.66 116.91 1th2 n ARG 202 Ca 0.01 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.08 1th2 n ARG 202 Cb 0.20 -1.30 0.57 0.00 -1.16 0.00 0.00 32.46 30.77 1th2 n ARG 202 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1th2 h GLY 203 N 3.01 0.00 -6.49 -0.13 0.00 -1.19 -3.39 103.07 94.88 1th2 h GLY 203 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1th2 h GLY 203 CO 0.00 0.00 -0.78 -0.42 0.00 0.00 0.00 176.54 175.34 1th2 s ILE 204 N -3.61 -0.08 0.43 2.60 1.01 -1.23 -3.13 121.20 117.19 1th2 s ILE 204 Ca 0.02 -1.36 -0.25 0.00 0.00 0.00 0.00 60.65 59.06 1th2 s ILE 204 Cb 0.09 -0.92 -0.08 0.00 0.01 0.00 0.00 42.46 41.56 1th2 s ILE 204 CO 0.58 -0.80 1.24 -2.84 0.00 0.00 0.00 174.94 173.12 1th2 s PRO 205 N 1.27 3.88 -1.28 2.79 0.02 -1.26 0.46 135.00 140.88 1th2 s PRO 205 Ca 0.17 2.00 -0.17 0.00 0.02 0.00 0.00 61.00 63.02 1th2 s PRO 205 Cb -0.19 -2.62 0.01 0.00 0.02 0.00 0.00 34.50 31.71 1th2 s PRO 205 CO -0.02 -0.52 1.99 -3.47 -0.33 0.00 0.00 177.00 174.65 1th2 n ASP 206 N -0.11 3.95 0.00 2.53 -0.08 0.16 -4.48 116.55 118.53 1th2 n ASP 206 Ca 0.05 -2.83 0.00 0.00 -1.51 0.00 0.00 54.79 50.50 1th2 n ASP 206 Cb 0.45 -1.62 0.00 0.00 2.34 0.00 0.00 41.12 42.29 1th2 n ASP 206 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1th2 n GLY 207 N 4.76 -1.78 0.04 0.27 0.00 -1.26 -4.33 105.19 102.89 1th2 n GLY 207 Ca 0.50 -1.94 0.03 0.00 0.00 0.00 0.00 46.02 44.61 1th2 n GLY 207 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1th2 n HIS 208 N 0.00 0.00 1.84 1.61 8.25 -1.26 -4.36 115.22 121.30 1th2 n HIS 208 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 1th2 n HIS 208 Cb 0.00 -0.67 0.87 0.00 1.12 0.00 0.00 29.99 31.31 1th2 n HIS 208 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1th2 n ARG 209 N -2.43 0.92 -0.08 -0.41 1.74 -1.26 -3.53 116.66 111.61 1th2 n ARG 209 Ca -0.15 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.02 1th2 n ARG 209 Cb 0.78 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.85 1th2 n ARG 209 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1th2 n HIS 210 N -1.00 0.05 -4.49 -1.55 8.25 -1.26 -4.39 115.22 110.83 1th2 n HIS 210 Ca 0.22 -0.93 -0.23 0.00 -0.26 0.00 0.00 57.72 56.52 1th2 n HIS 210 Cb 0.10 -0.15 -0.11 0.00 1.12 0.00 0.00 29.99 30.96 1th2 n HIS 210 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1th2 s MET 211 N -2.62 1.70 0.20 -0.41 0.23 -1.23 -1.62 119.30 115.55 1th2 s MET 211 Ca 0.28 -1.90 0.03 0.00 -1.03 0.00 0.00 55.69 53.07 1th2 s MET 211 Cb 0.25 -1.28 0.03 0.00 -1.53 0.00 0.00 34.83 32.31 1th2 s MET 211 CO 0.03 -0.01 0.28 -0.25 -2.03 0.00 0.00 175.02 173.04 1th2 n ASP 212 N -0.72 0.71 -4.11 -1.18 9.92 -1.26 -4.22 116.55 115.68 1th2 n ASP 212 Ca -0.05 -1.52 -0.18 0.00 -0.53 0.00 0.00 54.79 52.51 1th2 n ASP 212 Cb 0.65 -0.15 -0.13 0.00 -0.64 0.00 0.00 41.12 40.85 1th2 n ASP 212 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1th2 s GLY 213 N -2.94 0.69 -0.08 0.44 0.00 0.68 -4.29 107.32 101.81 1th2 s GLY 213 Ca 0.21 -0.77 -0.03 0.00 0.00 0.00 0.00 44.72 44.13 1th2 s GLY 213 CO 0.14 -0.77 0.17 -0.19 0.00 0.00 0.00 173.10 172.45 1th2 s TYR 214 N -0.93 -0.20 -1.30 1.90 2.02 0.40 -1.47 117.35 117.77 1th2 s TYR 214 Ca -0.01 0.61 0.04 0.00 -0.37 0.00 0.00 57.07 57.34 1th2 s TYR 214 Cb -0.08 -0.16 0.19 0.00 -0.40 0.00 0.00 41.96 41.51 1th2 s TYR 214 CO 0.01 -0.24 1.00 0.41 -1.57 0.00 0.00 175.55 175.16 1th2 n GLY 215 N 4.86 -0.48 5.00 0.71 0.00 -0.72 -1.83 105.19 112.74 1th2 n GLY 215 Ca -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1th2 n GLY 215 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1th2 n SER 216 N -1.35 0.00 -3.83 1.61 7.64 -1.26 -4.75 113.62 111.68 1th2 n SER 216 Ca 0.02 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.60 1th2 n SER 216 Cb 0.04 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.49 1th2 n SER 216 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1th2 s HIS 217 N 0.00 0.30 -0.08 1.43 3.76 -1.26 -4.75 115.29 114.69 1th2 s HIS 217 Ca 0.00 0.64 -0.05 0.00 -0.15 0.00 0.00 55.06 55.50 1th2 s HIS 217 Cb 0.00 -3.19 -0.04 0.00 1.11 0.00 0.00 32.58 30.47 1th2 s HIS 217 CO 0.00 -4.23 0.15 0.99 -0.85 0.00 0.00 174.74 170.80 1th2 s THR 218 N -2.66 5.45 0.28 1.30 2.01 -1.26 -4.67 115.64 116.09 1th2 s THR 218 Ca 0.69 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.75 1th2 s THR 218 Cb -0.14 -3.44 -0.00 0.00 0.01 0.00 0.00 72.50 68.93 1th2 s THR 218 CO 0.58 0.50 0.04 0.49 -0.69 0.00 0.00 174.62 175.54 1th2 n PHE 219 N 1.57 0.46 -4.57 4.92 3.01 0.21 -4.01 117.46 119.06 1th2 n PHE 219 Ca -0.16 -1.55 -0.22 0.00 1.01 0.00 0.00 57.45 56.52 1th2 n PHE 219 Cb 0.54 -0.12 -0.16 0.00 -0.01 0.00 0.00 39.48 39.73 1th2 n PHE 219 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1th2 s LYS 220 N -3.05 1.25 -0.00 -1.08 2.20 0.26 -1.62 119.74 117.71 1th2 s LYS 220 Ca 0.05 -0.43 0.06 0.00 -0.36 0.00 0.00 55.97 55.29 1th2 s LYS 220 Cb 0.00 -1.14 -0.03 0.00 -1.51 0.00 0.00 37.83 35.16 1th2 s LYS 220 CO 0.04 0.18 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.53 1th2 s LEU 221 N 0.08 2.66 -0.06 5.43 1.43 0.20 -1.07 118.68 127.35 1th2 s LEU 221 Ca -0.02 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1th2 s LEU 221 Cb -0.09 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.60 1th2 s LEU 221 CO 0.01 0.30 -0.07 -0.69 0.23 0.00 0.00 176.35 176.13 1th2 s VAL 222 N -0.83 0.75 0.51 -1.59 1.01 -0.60 -1.33 120.40 118.32 1th2 s VAL 222 Ca 0.13 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1th2 s VAL 222 Cb -0.11 -0.74 0.10 0.00 0.00 0.00 0.00 36.38 35.63 1th2 s VAL 222 CO 0.03 0.28 0.70 -0.46 0.00 0.00 0.00 175.10 175.65 1th2 n ASN 223 N 4.06 1.03 0.19 3.32 0.23 -0.92 -0.36 115.26 122.79 1th2 n ASN 223 Ca -0.23 -1.85 0.14 0.00 -0.53 0.00 0.00 54.58 52.11 1th2 n ASN 223 Cb 0.51 -0.45 0.65 0.00 -2.08 0.00 0.00 39.78 38.41 1th2 n ASN 223 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1th2 h ALA 224 N -0.48 1.00 -0.60 -2.53 0.00 -1.87 -2.45 119.26 112.33 1th2 h ALA 224 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.39 1th2 h ALA 224 Cb 0.88 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.49 1th2 h ALA 224 CO 0.26 0.00 0.20 -0.25 0.00 0.00 0.00 179.25 179.46 1th2 n ASP 225 N -2.45 3.14 0.00 0.00 8.00 -1.26 -4.94 116.55 119.03 1th2 n ASP 225 Ca -0.00 -3.65 0.00 0.00 0.71 0.00 0.00 54.79 51.85 1th2 n ASP 225 Cb 0.14 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 1th2 n ASP 225 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1th2 n GLY 226 N -1.04 0.06 3.72 0.44 0.00 -0.92 -4.96 105.19 102.50 1th2 n GLY 226 Ca 0.42 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 1th2 n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1th2 s GLU 227 N -1.49 4.57 0.22 1.61 2.02 -1.26 -4.83 118.70 119.54 1th2 s GLU 227 Ca 0.00 1.29 0.09 0.00 0.02 0.00 0.00 54.97 56.36 1th2 s GLU 227 Cb 0.00 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1th2 s GLU 227 CO 0.00 0.11 -0.02 0.00 0.02 0.00 0.00 175.26 175.37 1th2 s ALA 228 N 0.46 3.13 0.03 5.21 0.00 -1.26 -2.17 121.76 127.16 1th2 s ALA 228 Ca 0.46 -1.52 -0.17 0.00 0.00 0.00 0.00 51.96 50.72 1th2 s ALA 228 Cb -0.21 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.10 1th2 s ALA 228 CO 0.26 0.38 0.39 0.14 0.00 0.00 0.00 175.76 176.93 1th2 s VAL 229 N -1.99 0.06 -0.14 0.00 -7.23 -0.44 -4.69 120.40 105.96 1th2 s VAL 229 Ca 0.29 -0.49 -0.11 0.00 -1.81 0.00 0.00 61.98 59.86 1th2 s VAL 229 Cb -0.08 -0.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 1th2 s VAL 229 CO 0.18 -0.27 0.23 -0.31 -0.31 0.00 0.00 175.10 174.62 1th2 s TYR 230 N -2.25 3.51 0.26 2.82 2.02 0.10 0.60 117.35 124.41 1th2 s TYR 230 Ca -0.07 0.56 0.01 0.00 -0.37 0.00 0.00 57.07 57.20 1th2 s TYR 230 Cb -0.01 -2.20 -0.05 0.00 -0.40 0.00 0.00 41.96 39.30 1th2 s TYR 230 CO -0.01 0.41 0.11 0.00 -1.57 0.00 0.00 175.55 174.50 1th2 s LYS 232 N -4.02 1.52 -0.12 0.00 -0.14 -0.43 -0.62 119.74 115.92 1th2 s LYS 232 Ca 0.38 -0.60 -0.10 0.00 -1.36 0.00 0.00 55.97 54.29 1th2 s LYS 232 Cb 0.07 -1.40 -0.05 0.00 -1.68 0.00 0.00 37.83 34.78 1th2 s LYS 232 CO 0.14 0.31 0.19 -0.06 -0.76 0.00 0.00 175.35 175.18 1th2 s PHE 233 N -0.21 3.56 -0.01 3.18 0.08 -1.26 -0.71 117.98 122.61 1th2 s PHE 233 Ca 0.02 0.57 0.00 0.00 0.12 0.00 0.00 56.93 57.64 1th2 s PHE 233 Cb -0.09 -2.08 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 1th2 s PHE 233 CO 0.00 0.58 0.01 -1.01 -0.10 0.00 0.00 175.22 174.70 1th2 s HIS 234 N -0.59 0.11 -0.32 0.36 3.76 -0.25 -1.75 115.29 116.62 1th2 s HIS 234 Ca 0.15 0.04 -0.01 0.00 -0.15 0.00 0.00 55.06 55.09 1th2 s HIS 234 Cb -0.13 -0.19 0.10 0.00 1.11 0.00 0.00 32.58 33.48 1th2 s HIS 234 CO 0.04 -0.06 0.11 1.52 -0.85 0.00 0.00 174.74 175.50 1th2 s TYR 235 N 0.56 1.65 0.24 1.40 1.13 -0.54 0.11 117.35 121.91 1th2 s TYR 235 Ca -0.05 -1.74 -0.28 0.00 -1.41 0.00 0.00 57.07 53.59 1th2 s TYR 235 Cb -0.07 -1.68 -0.09 0.00 -1.10 0.00 0.00 41.96 39.01 1th2 s TYR 235 CO -0.01 -0.87 0.90 0.15 -2.51 0.00 0.00 175.55 173.20 1th2 s LYS 236 N 1.56 4.71 0.22 -3.49 -0.14 0.75 -0.23 119.74 123.12 1th2 s LYS 236 Ca 0.10 1.36 -0.30 0.00 -1.36 0.00 0.00 55.97 55.77 1th2 s LYS 236 Cb -0.18 -3.15 -0.09 0.00 -1.68 0.00 0.00 37.83 32.73 1th2 s LYS 236 CO -0.24 0.47 1.30 -0.08 -0.76 0.00 0.00 175.35 176.04 1th2 s THR 237 N -1.29 3.17 -0.14 2.17 -1.32 -1.26 -0.14 115.64 116.84 1th2 s THR 237 Ca 0.42 1.00 0.16 0.00 -1.21 0.00 0.00 61.69 62.06 1th2 s THR 237 Cb -0.23 -3.64 -0.03 0.00 -1.51 0.00 0.00 72.50 67.09 1th2 s THR 237 CO 0.29 0.16 1.14 0.44 -2.21 0.00 0.00 174.62 174.44 1th2 h ASP 238 N 5.09 0.00 -0.06 8.08 3.32 -1.49 -3.22 116.42 128.14 1th2 h ASP 238 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1th2 h ASP 238 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1th2 h ASP 238 CO 0.75 0.52 0.00 0.00 -1.72 0.00 0.00 179.24 178.79 1th2 n GLN 239 N -3.05 1.15 -1.09 3.56 0.00 -1.26 -5.00 117.38 111.69 1th2 n GLN 239 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 57.00 56.74 1th2 n GLN 239 Cb 0.78 -1.12 0.00 0.00 0.00 0.00 0.00 30.24 29.89 1th2 n GLN 239 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1th2 n GLY 240 N 0.67 -4.05 3.64 2.61 0.00 -1.22 -4.84 105.19 102.00 1th2 n GLY 240 Ca 0.06 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 1th2 n GLY 240 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1th2 n ILE 241 N -1.15 0.62 -3.70 -0.61 -0.00 -1.25 -4.56 119.36 108.72 1th2 n ILE 241 Ca 0.00 -0.24 -0.23 0.00 -0.00 0.00 0.00 62.75 62.28 1th2 n ILE 241 Cb 0.05 -2.36 -0.17 0.00 -0.00 0.00 0.00 39.64 37.16 1th2 n ILE 241 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1th2 s LYS 242 N 5.07 0.23 0.26 0.38 2.20 -0.64 -5.04 119.74 122.20 1th2 s LYS 242 Ca 0.93 0.12 0.07 0.00 -0.36 0.00 0.00 55.97 56.73 1th2 s LYS 242 Cb -0.43 -1.09 -0.03 0.00 -1.51 0.00 0.00 37.83 34.77 1th2 s LYS 242 CO 0.41 -0.42 0.21 -0.80 -0.36 0.00 0.00 175.35 174.39 1th2 s ASN 243 N 2.07 5.55 0.21 1.43 0.02 -1.26 0.39 114.94 123.34 1th2 s ASN 243 Ca 0.04 -0.25 -0.07 0.00 -1.02 0.00 0.00 52.86 51.56 1th2 s ASN 243 Cb -0.13 -1.40 -0.06 0.00 0.02 0.00 0.00 41.25 39.67 1th2 s ASN 243 CO -0.05 -0.06 0.49 -0.76 0.02 0.00 0.00 177.10 176.73 1th2 s LEU 244 N -3.86 4.19 0.80 0.60 1.43 0.17 -4.57 118.68 117.45 1th2 s LEU 244 Ca 0.33 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 54.09 1th2 s LEU 244 Cb -0.08 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.69 1th2 s LEU 244 CO 0.25 -0.04 1.09 -0.55 0.23 0.00 0.00 176.35 177.33 1th2 s SER 245 N -2.50 4.41 0.50 2.29 0.15 -1.26 -4.76 113.70 112.53 1th2 s SER 245 Ca 0.45 1.44 0.27 0.00 0.70 0.00 0.00 55.95 58.81 1th2 s SER 245 Cb -0.11 -2.18 1.29 0.00 -1.71 0.00 0.00 66.02 63.30 1th2 s SER 245 CO 0.24 -2.04 1.99 0.58 1.20 0.00 0.00 173.24 175.20 1th2 h VAL 246 N -1.13 0.49 0.00 4.45 2.07 -1.98 -1.27 116.25 118.89 1th2 h VAL 246 Ca -0.47 -0.73 -0.38 0.00 0.82 0.00 0.00 66.70 65.94 1th2 h VAL 246 Cb 1.26 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.46 1th2 h VAL 246 CO 0.57 0.14 -2.41 -1.84 0.02 0.00 0.00 177.57 174.05 1th2 n GLU 247 N -3.47 0.67 -0.05 1.57 0.28 -1.26 -3.02 120.64 115.36 1th2 n GLU 247 Ca -0.01 0.08 -0.10 0.00 -0.16 0.00 0.00 57.16 56.98 1th2 n GLU 247 Cb 0.31 -1.53 -0.03 0.00 1.43 0.00 0.00 31.44 31.62 1th2 n GLU 247 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1th2 h ASP 248 N 0.00 0.19 -0.34 -1.84 5.19 -1.91 -0.01 116.42 117.71 1th2 h ASP 248 Ca -0.56 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 55.68 1th2 h ASP 248 Cb 2.07 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 41.54 1th2 h ASP 248 CO -0.03 0.14 -0.46 0.00 -3.12 0.00 0.00 179.24 175.78 1th2 h ALA 249 N 1.09 0.51 -0.06 3.45 0.00 -1.43 -0.96 119.26 121.86 1th2 h ALA 249 Ca 0.08 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1th2 h ALA 249 Cb -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1th2 h ALA 249 CO -0.04 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.83 1th2 h ALA 250 N 0.72 1.81 0.03 0.00 0.00 -1.37 -0.80 119.26 119.65 1th2 h ALA 250 Ca 0.04 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 1th2 h ALA 250 Cb 1.06 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1th2 h ALA 250 CO 0.11 0.15 -1.45 2.89 0.00 0.00 0.00 179.25 180.94 1th2 n ARG 251 N -4.43 0.61 -0.34 0.00 1.85 -0.06 -3.72 116.66 110.58 1th2 n ARG 251 Ca -0.02 0.50 0.36 0.00 -1.00 0.00 0.00 57.85 57.69 1th2 n ARG 251 Cb 0.16 -1.74 0.75 0.00 -1.05 0.00 0.00 32.46 30.58 1th2 n ARG 251 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1th2 h LEU 252 N -0.74 0.02 -0.23 2.89 3.38 -1.09 0.23 115.31 119.76 1th2 h LEU 252 Ca -0.37 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.63 1th2 h LEU 252 Cb 1.49 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.18 1th2 h LEU 252 CO -0.14 0.00 -0.45 0.00 0.09 0.00 0.00 178.44 177.94 1th2 h ALA 253 N 1.40 -0.75 0.00 1.53 0.00 -1.22 2.15 119.26 122.35 1th2 h ALA 253 Ca 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1th2 h ALA 253 Cb 2.32 1.00 0.00 0.00 0.00 0.00 0.00 17.79 21.11 1th2 h ALA 253 CO -0.02 -0.95 -0.40 1.12 0.00 0.00 0.00 179.25 179.00 1th2 h HIS 254 N -0.40 0.00 0.47 0.00 2.07 -1.15 -2.73 115.15 113.41 1th2 h HIS 254 Ca 0.04 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.54 1th2 h HIS 254 Cb 0.52 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.51 1th2 h HIS 254 CO -0.64 0.00 -0.23 0.93 -3.07 0.00 0.00 177.93 174.92 1th2 h GLU 255 N 0.00 -0.61 -2.77 5.12 5.08 0.23 -3.42 114.58 118.21 1th2 h GLU 255 Ca 0.00 0.04 -0.59 0.00 -1.00 0.00 0.00 59.36 57.81 1th2 h GLU 255 Cb 0.93 0.14 -0.39 0.00 0.50 0.00 0.00 28.75 29.92 1th2 h GLU 255 CO 0.00 -0.41 -0.80 0.34 -1.00 0.00 0.00 179.01 177.14 1th2 s ASP 256 N -4.59 3.27 0.60 1.42 2.15 0.72 -4.98 116.67 115.26 1th2 s ASP 256 Ca -0.09 -2.30 0.36 0.00 0.43 0.00 0.00 52.55 50.95 1th2 s ASP 256 Cb 0.01 -0.65 1.89 0.00 -0.30 0.00 0.00 42.92 43.88 1th2 s ASP 256 CO 0.28 -0.30 2.20 1.55 -0.17 0.00 0.00 175.17 178.73 1th2 h PRO 257 N 6.99 0.00 -0.65 4.34 0.13 -1.53 -1.89 132.00 139.40 1th2 h PRO 257 Ca 0.02 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.82 1th2 h PRO 257 Cb 0.96 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.89 1th2 h PRO 257 CO 0.36 0.03 0.25 -0.25 -0.23 0.00 0.00 178.00 178.16 1th2 n ASP 258 N -3.32 3.12 -0.35 1.44 8.00 -1.26 0.63 116.55 124.80 1th2 n ASP 258 Ca -0.02 -3.68 0.15 0.00 0.71 0.00 0.00 54.79 51.95 1th2 n ASP 258 Cb 0.16 -0.73 0.35 0.00 -0.02 0.00 0.00 41.12 40.89 1th2 n ASP 258 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1th2 h TYR 259 N 1.07 1.03 -0.17 1.24 3.20 -1.68 0.03 116.97 121.70 1th2 h TYR 259 Ca 0.40 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 62.24 1th2 h TYR 259 Cb 2.21 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 40.18 1th2 h TYR 259 CO 1.29 0.14 -0.16 0.78 -1.64 0.00 0.00 178.16 178.57 1th2 h GLY 260 N 0.66 0.44 0.48 1.82 0.00 -1.86 -1.86 103.07 102.75 1th2 h GLY 260 Ca 0.61 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 47.54 1th2 h GLY 260 CO -0.44 0.40 -0.16 1.41 0.00 0.00 0.00 176.54 177.76 1th2 h LEU 261 N 0.05 -0.48 0.38 3.11 -0.00 -1.43 -2.07 115.31 114.86 1th2 h LEU 261 Ca 0.03 0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.97 1th2 h LEU 261 Cb 0.69 0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 1th2 h LEU 261 CO 0.04 -0.21 -0.18 -0.09 -0.00 0.00 0.00 178.44 178.00 1th2 h ARG 262 N -0.21 -0.49 -0.87 1.13 2.43 -1.15 -1.98 114.38 113.24 1th2 h ARG 262 Ca 0.09 0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.52 1th2 h ARG 262 Cb 0.33 0.11 -0.15 0.00 -0.42 0.00 0.00 29.97 29.84 1th2 h ARG 262 CO -0.23 -0.24 0.11 0.22 -1.51 0.00 0.00 179.97 178.32 1th2 h ASP 263 N -0.68 -0.24 -0.07 -3.80 1.82 -1.18 -0.67 116.42 111.60 1th2 h ASP 263 Ca -0.05 0.22 -0.12 0.00 -0.39 0.00 0.00 57.03 56.68 1th2 h ASP 263 Cb 0.49 0.35 0.01 0.00 0.68 0.00 0.00 39.33 40.85 1th2 h ASP 263 CO 0.09 -0.22 -0.44 0.25 -1.61 0.00 0.00 179.24 177.31 1th2 h LEU 264 N 0.12 0.51 -0.71 2.28 5.85 -1.34 -2.85 115.31 119.18 1th2 h LEU 264 Ca 0.52 -0.66 0.05 0.00 0.84 0.00 0.00 57.88 58.63 1th2 h LEU 264 Cb 1.03 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 1th2 h LEU 264 CO -0.73 1.10 0.42 0.15 -0.34 0.00 0.00 178.44 179.03 1th2 h PHE 265 N -0.03 0.78 -0.36 1.25 3.04 -0.45 -2.91 116.94 118.26 1th2 h PHE 265 Ca -0.03 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.85 1th2 h PHE 265 Cb 1.10 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.35 1th2 h PHE 265 CO 0.13 0.41 -0.14 -0.91 -2.02 0.00 0.00 178.31 175.77 1th2 h ASN 266 N 0.79 0.75 -0.05 0.41 2.35 -1.25 -0.42 115.58 118.16 1th2 h ASN 266 Ca 0.30 -0.39 0.02 0.00 -0.55 0.00 0.00 56.30 55.68 1th2 h ASN 266 Cb 0.12 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 1th2 h ASN 266 CO -0.15 0.97 -0.39 0.00 -1.65 0.00 0.00 177.43 176.21 1th2 h ALA 267 N 0.80 -0.79 -0.44 -0.83 0.00 -1.32 0.34 119.26 117.02 1th2 h ALA 267 Ca 0.09 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1th2 h ALA 267 Cb 0.67 0.86 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 1th2 h ALA 267 CO 0.05 -0.92 0.24 0.82 0.00 0.00 0.00 179.25 179.43 1th2 h ILE 268 N -0.45 1.00 -0.89 0.00 2.04 -1.56 -1.31 117.51 116.33 1th2 h ILE 268 Ca 0.02 -0.16 0.17 0.00 1.00 0.00 0.00 64.86 65.88 1th2 h ILE 268 Cb 0.50 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1th2 h ILE 268 CO -0.28 0.09 0.58 0.00 0.00 0.00 0.00 178.15 178.53 1th2 h ALA 269 N 1.22 1.99 -0.00 1.87 0.00 -0.34 -1.65 119.26 122.35 1th2 h ALA 269 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1th2 h ALA 269 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1th2 h ALA 269 CO -0.11 -0.26 -0.45 0.25 0.00 0.00 0.00 179.25 178.67 1th2 n THR 270 N -4.55 0.00 0.00 0.00 -2.24 0.04 -4.94 114.28 102.59 1th2 n THR 270 Ca 0.18 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1th2 n THR 270 Cb 0.58 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1th2 n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1th2 n GLY 271 N 1.44 2.64 2.47 3.38 0.00 -0.62 -5.00 105.19 109.50 1th2 n GLY 271 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1th2 n GLY 271 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1th2 n ASN 272 N 0.00 6.92 -4.68 1.61 2.85 -0.53 -4.93 115.26 116.50 1th2 n ASN 272 Ca 0.00 -2.53 -0.45 0.00 -0.11 0.00 0.00 54.58 51.49 1th2 n ASN 272 Cb 0.00 -1.41 -0.04 0.00 1.24 0.00 0.00 39.78 39.57 1th2 n ASN 272 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1th2 n TYR 273 N 4.17 2.41 -2.60 1.20 4.01 -1.26 -4.24 117.16 120.86 1th2 n TYR 273 Ca 0.65 0.07 -0.33 0.00 -0.16 0.00 0.00 57.90 58.13 1th2 n TYR 273 Cb 0.22 -2.63 -0.05 0.00 -0.31 0.00 0.00 39.34 36.57 1th2 n TYR 273 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1th2 s PRO 274 N 2.25 4.05 0.04 -0.72 0.04 -1.25 -4.88 135.00 134.53 1th2 s PRO 274 Ca 0.83 1.07 -0.06 0.00 0.04 0.00 0.00 61.00 62.88 1th2 s PRO 274 Cb -0.62 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 1th2 s PRO 274 CO 0.41 -0.19 0.11 -1.54 0.04 0.00 0.00 177.00 175.83 1th2 s SER 275 N -2.56 0.17 0.04 6.66 1.04 -1.26 -2.18 113.70 115.61 1th2 s SER 275 Ca 0.61 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 56.52 1th2 s SER 275 Cb -0.10 0.24 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 1th2 s SER 275 CO 0.22 -0.54 -0.09 0.26 0.98 0.00 0.00 173.24 174.06 1th2 s TRP 276 N -2.81 0.81 -0.19 5.02 0.51 0.16 -1.27 118.94 121.17 1th2 s TRP 276 Ca -0.03 -0.41 -0.09 0.00 -2.12 0.00 0.00 56.10 53.44 1th2 s TRP 276 Cb 0.00 -0.48 -0.05 0.00 -0.81 0.00 0.00 33.47 32.13 1th2 s TRP 276 CO -0.05 -0.03 0.12 0.99 -0.51 0.00 0.00 176.95 177.46 1th2 s THR 277 N -1.11 5.28 -0.21 2.01 2.01 0.81 0.00 115.64 124.44 1th2 s THR 277 Ca -0.05 0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.94 1th2 s THR 277 Cb -0.09 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1th2 s THR 277 CO 0.01 0.46 0.36 -0.22 -0.69 0.00 0.00 174.62 174.53 1th2 s LEU 278 N 0.27 4.15 0.31 4.42 2.96 0.33 -0.18 118.68 130.94 1th2 s LEU 278 Ca 0.07 0.45 0.08 0.00 -0.22 0.00 0.00 54.13 54.51 1th2 s LEU 278 Cb -0.11 -2.45 -0.06 0.00 0.50 0.00 0.00 46.19 44.07 1th2 s LEU 278 CO -0.01 -0.05 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.59 1th2 s TYR 279 N 1.26 2.14 -0.02 5.38 2.02 0.30 0.01 117.35 128.45 1th2 s TYR 279 Ca 0.17 -0.64 -0.00 0.00 -0.37 0.00 0.00 57.07 56.23 1th2 s TYR 279 Cb -0.14 -1.25 0.02 0.00 -0.40 0.00 0.00 41.96 40.19 1th2 s TYR 279 CO 0.07 0.38 0.03 0.96 -1.57 0.00 0.00 175.55 175.43 1th2 s ILE 280 N -2.87 -0.03 0.00 2.71 -4.36 0.50 -1.09 121.20 116.06 1th2 s ILE 280 Ca 0.31 0.12 -0.11 0.00 -0.26 0.00 0.00 60.65 60.72 1th2 s ILE 280 Cb 0.04 -0.07 -0.05 0.00 1.25 0.00 0.00 42.46 43.63 1th2 s ILE 280 CO 0.14 0.05 0.34 -1.10 0.24 0.00 0.00 174.94 174.61 1th2 s GLN 281 N 0.63 3.73 -0.03 0.37 -0.21 0.11 -1.24 119.66 123.02 1th2 s GLN 281 Ca -0.05 0.16 0.05 0.00 0.02 0.00 0.00 55.36 55.55 1th2 s GLN 281 Cb -0.07 -3.12 -0.01 0.00 1.00 0.00 0.00 33.01 30.80 1th2 s GLN 281 CO -0.02 0.66 -0.19 0.08 -2.12 0.00 0.00 175.29 173.70 1th2 s VAL 282 N -1.20 1.52 -0.02 1.09 1.01 -1.26 -1.31 120.40 120.23 1th2 s VAL 282 Ca 0.26 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 1th2 s VAL 282 Cb -0.14 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 34.98 1th2 s VAL 282 CO 0.14 0.43 0.02 -0.32 0.00 0.00 0.00 175.10 175.37 1th2 s MET 283 N -0.28 -0.03 0.37 2.72 0.00 0.37 -4.86 119.30 117.58 1th2 s MET 283 Ca 0.03 0.15 -0.09 0.00 0.00 0.00 0.00 55.69 55.78 1th2 s MET 283 Cb -0.09 -0.19 -0.06 0.00 0.00 0.00 0.00 34.83 34.49 1th2 s MET 283 CO 0.00 -0.13 0.70 0.95 0.00 0.00 0.00 175.02 176.54 1th2 s THR 284 N 0.83 4.87 0.29 10.11 -4.23 -1.26 0.01 115.64 126.25 1th2 s THR 284 Ca -0.07 0.43 0.03 0.00 -1.18 0.00 0.00 61.69 60.91 1th2 s THR 284 Cb -0.10 -3.73 0.28 0.00 1.34 0.00 0.00 72.50 70.29 1th2 s THR 284 CO -0.02 -0.45 1.78 -0.26 -0.54 0.00 0.00 174.62 175.13 1th2 h PHE 285 N 1.40 1.01 0.10 3.99 -1.00 -1.96 1.14 116.94 121.62 1th2 h PHE 285 Ca -0.47 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.34 1th2 h PHE 285 Cb 1.19 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 40.43 1th2 h PHE 285 CO 0.60 0.26 -0.25 0.77 -1.61 0.00 0.00 178.31 178.07 1th2 h SER 286 N 0.77 -0.74 -0.79 2.17 0.02 -1.98 -0.30 113.55 112.69 1th2 h SER 286 Ca 0.54 0.07 0.12 0.00 -0.84 0.00 0.00 61.79 61.68 1th2 h SER 286 Cb 0.78 0.27 -0.08 0.00 0.14 0.00 0.00 62.40 63.50 1th2 h SER 286 CO -0.36 -0.28 0.40 -0.33 -1.14 0.00 0.00 176.83 175.12 1th2 h GLU 287 N -0.39 0.60 0.00 3.45 5.08 -1.62 0.93 114.58 122.63 1th2 h GLU 287 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1th2 h GLU 287 Cb 0.38 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1th2 h GLU 287 CO -0.11 0.40 0.19 0.00 -1.00 0.00 0.00 179.01 178.48 1th2 h ALA 288 N 1.50 1.13 0.00 3.43 0.00 0.23 0.44 119.26 126.00 1th2 h ALA 288 Ca 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.24 1th2 h ALA 288 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1th2 h ALA 288 CO -0.32 -0.13 -0.58 0.93 0.00 0.00 0.00 179.25 179.14 1th2 h GLU 289 N 0.00 0.00 -0.26 0.00 5.08 0.26 -3.38 114.58 116.28 1th2 h GLU 289 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1th2 h GLU 289 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1th2 h GLU 289 CO 0.00 0.60 -0.22 -0.84 -1.00 0.00 0.00 179.01 177.55 1th2 h ILE 290 N -1.00 1.26 -0.96 3.13 3.07 -0.80 -3.45 117.51 118.76 1th2 h ILE 290 Ca -0.13 -1.21 -0.79 0.00 1.55 0.00 0.00 64.86 64.28 1th2 h ILE 290 Cb 0.83 1.30 0.04 0.00 -0.27 0.00 0.00 36.82 38.72 1th2 h ILE 290 CO -0.08 0.39 0.24 0.33 -1.05 0.00 0.00 178.15 177.98 1th2 n PHE 291 N -4.14 0.94 1.78 0.16 7.35 0.14 -4.91 117.46 118.78 1th2 n PHE 291 Ca -0.00 1.05 0.13 0.00 -0.76 0.00 0.00 57.45 57.86 1th2 n PHE 291 Cb 0.39 -2.05 0.76 0.00 0.35 0.00 0.00 39.48 38.92 1th2 n PHE 291 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1th2 n PRO 292 N 2.18 0.89 -4.65 -7.13 -0.04 -1.26 -4.81 135.00 120.18 1th2 n PRO 292 Ca 0.22 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.38 1th2 n PRO 292 Cb 0.04 -1.45 -0.09 0.00 -0.04 0.00 0.00 33.50 31.96 1th2 n PRO 292 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1th2 s PHE 293 N -2.00 2.14 0.01 0.54 -0.12 -1.26 -5.11 117.98 112.17 1th2 s PHE 293 Ca 0.38 -0.83 -0.34 0.00 -0.05 0.00 0.00 56.93 56.09 1th2 s PHE 293 Cb 0.18 -1.70 -0.13 0.00 -0.63 0.00 0.00 43.02 40.74 1th2 s PHE 293 CO 0.30 0.29 1.74 -1.71 -0.05 0.00 0.00 175.22 175.78 1th2 n ASN 294 N -1.17 3.20 0.00 1.98 2.85 -1.26 -4.81 115.26 116.05 1th2 n ASN 294 Ca -0.13 1.03 0.09 0.00 -0.11 0.00 0.00 54.58 55.46 1th2 n ASN 294 Cb 0.67 -1.38 0.44 0.00 1.24 0.00 0.00 39.78 40.75 1th2 n ASN 294 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1th2 n PRO 295 N 5.17 0.25 0.00 1.20 -0.04 -1.26 -2.22 135.00 138.10 1th2 n PRO 295 Ca 0.20 0.12 0.03 0.00 -0.04 0.00 0.00 63.50 63.81 1th2 n PRO 295 Cb 0.28 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.25 1th2 n PRO 295 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1th2 n PHE 296 N -1.28 0.00 -1.75 0.54 3.72 -1.26 -4.81 117.46 112.62 1th2 n PHE 296 Ca 0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 1th2 n PHE 296 Cb 0.14 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 1th2 n PHE 296 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1th2 s ASP 297 N -0.84 6.38 0.30 4.37 -1.08 -0.94 -4.61 116.67 120.24 1th2 s ASP 297 Ca 0.05 2.89 0.16 0.00 -0.52 0.00 0.00 52.55 55.13 1th2 s ASP 297 Cb 0.05 -2.61 0.19 0.00 -1.46 0.00 0.00 42.92 39.09 1th2 s ASP 297 CO 0.12 -0.95 1.50 0.25 0.52 0.00 0.00 175.17 176.62 1th2 h LEU 298 N 6.12 0.00 -2.02 -1.34 5.85 -1.90 -3.13 115.31 118.89 1th2 h LEU 298 Ca -0.44 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1th2 h LEU 298 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1th2 h LEU 298 CO 0.90 0.48 0.01 0.35 -0.34 0.00 0.00 178.44 179.84 1th2 n THR 299 N -3.28 1.10 -4.20 1.05 -2.24 -1.26 -2.19 114.28 103.27 1th2 n THR 299 Ca 0.02 -0.55 -0.19 0.00 -2.27 0.00 0.00 64.05 61.06 1th2 n THR 299 Cb 0.69 -0.43 -0.12 0.00 -2.10 0.00 0.00 70.33 68.37 1th2 n THR 299 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1th2 s LYS 300 N -1.66 0.88 0.09 -0.78 -0.14 -1.19 -4.86 119.74 112.09 1th2 s LYS 300 Ca 0.21 -0.98 0.07 0.00 -1.36 0.00 0.00 55.97 53.90 1th2 s LYS 300 Cb 0.16 -0.93 -0.03 0.00 -1.68 0.00 0.00 37.83 35.34 1th2 s LYS 300 CO 0.06 0.21 -0.17 0.14 -0.76 0.00 0.00 175.35 174.83 1th2 s VAL 301 N -1.23 1.43 -0.03 3.17 -7.23 -1.26 -4.85 120.40 110.39 1th2 s VAL 301 Ca -0.00 -1.48 -0.23 0.00 -1.81 0.00 0.00 61.98 58.45 1th2 s VAL 301 Cb -0.10 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 1th2 s VAL 301 CO 0.03 -0.18 0.69 0.26 -0.31 0.00 0.00 175.10 175.59 1th2 s TRP 302 N -1.35 3.63 -0.03 2.82 0.52 -1.26 -5.04 118.94 118.23 1th2 s TRP 302 Ca 0.04 1.28 -0.24 0.00 0.02 0.00 0.00 56.10 57.19 1th2 s TRP 302 Cb -0.09 -2.77 -0.04 0.00 -1.15 0.00 0.00 33.47 29.42 1th2 s TRP 302 CO 0.03 0.18 0.75 -1.25 0.02 0.00 0.00 176.95 176.68 1th2 s PRO 303 N 0.43 4.46 0.65 4.98 0.05 -1.26 -4.91 135.00 139.39 1th2 s PRO 303 Ca 0.36 0.98 0.28 0.00 0.05 0.00 0.00 61.00 62.67 1th2 s PRO 303 Cb -0.18 -3.42 1.48 0.00 0.05 0.00 0.00 34.50 32.42 1th2 s PRO 303 CO 0.19 0.11 1.85 0.45 0.05 0.00 0.00 177.00 179.65 1th2 h HIS 304 N 6.47 0.00 0.00 0.56 3.86 -1.95 0.01 115.15 124.10 1th2 h HIS 304 Ca -0.42 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1th2 h HIS 304 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 1th2 h HIS 304 CO 0.65 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.85 1th2 n GLY 305 N -1.32 -3.01 0.22 2.45 0.00 -1.26 -2.43 105.19 99.84 1th2 n GLY 305 Ca 0.01 0.23 0.11 0.00 0.00 0.00 0.00 46.02 46.37 1th2 n GLY 305 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1th2 h ASP 306 N 0.00 0.00 -3.32 1.61 5.19 -1.90 -3.38 116.42 114.62 1th2 h ASP 306 Ca 0.00 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.81 1th2 h ASP 306 Cb 0.00 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.11 1th2 h ASP 306 CO 0.00 0.13 -0.75 -0.31 -3.12 0.00 0.00 179.24 175.19 1th2 s TYR 307 N -3.34 1.87 0.73 4.55 2.02 -0.04 -5.07 117.35 118.07 1th2 s TYR 307 Ca 0.04 -2.13 -0.13 0.00 -0.37 0.00 0.00 57.07 54.49 1th2 s TYR 307 Cb 0.07 -1.80 0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1th2 s TYR 307 CO 0.65 -0.83 1.11 -1.25 -1.57 0.00 0.00 175.55 173.66 1th2 s PRO 308 N 0.93 2.38 -0.39 -1.71 0.04 -1.02 -3.48 135.00 131.74 1th2 s PRO 308 Ca 0.14 1.35 -0.24 0.00 0.04 0.00 0.00 61.00 62.29 1th2 s PRO 308 Cb -0.21 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1th2 s PRO 308 CO -0.10 -1.57 0.86 -0.51 0.04 0.00 0.00 177.00 175.72 1th2 s LEU 309 N -5.45 4.07 -0.02 -3.56 1.02 -1.26 -4.34 118.68 109.15 1th2 s LEU 309 Ca 0.65 0.33 -0.16 0.00 0.02 0.00 0.00 54.13 54.98 1th2 s LEU 309 Cb -0.20 -3.13 -0.05 0.00 0.02 0.00 0.00 46.19 42.82 1th2 s LEU 309 CO 0.49 -0.86 0.43 -0.63 0.02 0.00 0.00 176.35 175.80 1th2 s ILE 310 N 3.38 5.04 0.11 -0.59 1.09 -0.38 -4.89 121.20 124.97 1th2 s ILE 310 Ca 0.35 0.88 -0.28 0.00 -1.10 0.00 0.00 60.65 60.50 1th2 s ILE 310 Cb -0.12 -3.74 -0.06 0.00 -1.06 0.00 0.00 42.46 37.48 1th2 s ILE 310 CO 0.20 0.53 0.87 -2.16 -0.10 0.00 0.00 174.94 174.28 1th2 s PRO 311 N -0.76 4.64 -0.02 2.79 0.05 -1.26 -0.37 135.00 140.07 1th2 s PRO 311 Ca 0.24 1.29 -0.02 0.00 0.05 0.00 0.00 61.00 62.56 1th2 s PRO 311 Cb -0.17 -3.34 -0.02 0.00 0.05 0.00 0.00 34.50 31.02 1th2 s PRO 311 CO 0.13 0.32 -0.06 0.28 0.05 0.00 0.00 177.00 177.73 1th2 n VAL 312 N 2.46 0.53 -3.89 -0.36 0.31 0.10 -4.57 118.33 112.91 1th2 n VAL 312 Ca -0.01 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1th2 n VAL 312 Cb 0.49 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1th2 n VAL 312 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1th2 n GLY 313 N 2.85 0.54 3.57 2.92 0.00 -0.79 -1.88 105.19 112.39 1th2 n GLY 313 Ca -0.07 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 1th2 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1th2 s LYS 314 N -2.00 2.53 -0.23 1.61 -0.14 0.33 0.12 119.74 121.95 1th2 s LYS 314 Ca 0.05 -0.72 -0.00 0.00 -1.36 0.00 0.00 55.97 53.93 1th2 s LYS 314 Cb -0.00 -2.47 0.03 0.00 -1.68 0.00 0.00 37.83 33.71 1th2 s LYS 314 CO -0.00 0.61 -0.11 -0.51 -0.76 0.00 0.00 175.35 174.58 1th2 s LEU 315 N -1.29 2.94 -0.04 3.17 1.43 0.10 -0.17 118.68 124.82 1th2 s LEU 315 Ca 0.16 -0.90 0.05 0.00 -1.03 0.00 0.00 54.13 52.40 1th2 s LEU 315 Cb -0.11 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1th2 s LEU 315 CO 0.06 -0.10 -0.18 -0.69 0.23 0.00 0.00 176.35 175.67 1th2 s VAL 316 N 1.27 1.50 -0.35 -1.59 1.01 -0.59 0.37 120.40 122.01 1th2 s VAL 316 Ca -0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1th2 s VAL 316 Cb -0.16 -1.28 0.08 0.00 0.00 0.00 0.00 36.38 35.01 1th2 s VAL 316 CO -0.07 0.43 0.11 -0.76 0.00 0.00 0.00 175.10 174.81 1th2 s LEU 317 N -0.03 4.57 -0.16 3.92 1.43 -0.93 -1.21 118.68 126.28 1th2 s LEU 317 Ca -0.03 -1.60 0.17 0.00 -1.03 0.00 0.00 54.13 51.64 1th2 s LEU 317 Cb -0.11 -1.78 0.36 0.00 0.03 0.00 0.00 46.19 44.68 1th2 s LEU 317 CO 0.02 -0.40 1.22 -0.46 0.23 0.00 0.00 176.35 176.97 1th2 n ASN 318 N 4.63 2.58 -3.72 2.29 0.23 -0.89 -3.97 115.26 116.42 1th2 n ASN 318 Ca -0.08 -3.20 -0.12 0.00 -0.53 0.00 0.00 54.58 50.66 1th2 n ASN 318 Cb 0.43 -0.47 -0.12 0.00 -2.08 0.00 0.00 39.78 37.53 1th2 n ASN 318 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1th2 s ARG 319 N -2.93 0.31 0.43 -3.83 3.52 -0.63 -5.00 118.95 110.81 1th2 s ARG 319 Ca 0.35 0.63 -0.03 0.00 -0.13 0.00 0.00 55.73 56.56 1th2 s ARG 319 Cb 0.31 -0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.62 1th2 s ARG 319 CO 0.03 -0.15 0.68 -0.80 -0.81 0.00 0.00 175.30 174.25 1th2 s ASN 320 N 1.19 6.24 0.50 -2.12 0.01 -1.26 -0.95 114.94 118.54 1th2 s ASN 320 Ca -0.08 0.69 -0.21 0.00 -0.71 0.00 0.00 52.86 52.55 1th2 s ASN 320 Cb -0.09 -2.11 -0.07 0.00 0.41 0.00 0.00 41.25 39.40 1th2 s ASN 320 CO -0.09 -0.48 1.11 -2.84 -1.51 0.00 0.00 177.10 173.29 1th2 s PRO 321 N -4.56 3.59 -0.06 -0.60 0.02 -1.26 -4.85 135.00 127.28 1th2 s PRO 321 Ca 0.44 1.58 0.12 0.00 0.02 0.00 0.00 61.00 63.17 1th2 s PRO 321 Cb -0.10 -2.14 -0.23 0.00 0.02 0.00 0.00 34.50 32.04 1th2 s PRO 321 CO 0.41 -0.65 0.61 0.28 -0.33 0.00 0.00 177.00 177.32 1th2 n VAL 322 N -0.98 1.60 -3.59 3.83 0.31 -1.26 -4.76 118.33 113.48 1th2 n VAL 322 Ca 0.10 -0.80 -0.21 0.00 -0.01 0.00 0.00 64.34 63.42 1th2 n VAL 322 Cb 0.51 -1.02 -0.16 0.00 -0.91 0.00 0.00 33.84 32.26 1th2 n VAL 322 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1th2 s ASN 323 N -6.07 1.54 0.16 4.52 3.84 -1.26 -5.06 114.94 112.60 1th2 s ASN 323 Ca -0.06 -0.19 -0.15 0.00 0.21 0.00 0.00 52.86 52.67 1th2 s ASN 323 Cb 0.08 0.09 0.04 0.00 -0.55 0.00 0.00 41.25 40.90 1th2 s ASN 323 CO 0.82 -0.31 1.81 0.22 -2.79 0.00 0.00 177.10 176.86 1th2 h TYR 324 N 8.38 0.51 0.84 0.43 5.03 -1.97 -1.73 116.97 128.46 1th2 h TYR 324 Ca -0.15 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.14 1th2 h TYR 324 Cb 1.14 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 39.25 1th2 h TYR 324 CO 0.25 0.31 -0.48 0.35 -1.32 0.00 0.00 178.16 177.27 1th2 h PHE 325 N 0.55 -1.26 -0.81 -3.82 3.57 -1.97 0.42 116.94 113.63 1th2 h PHE 325 Ca 0.17 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1th2 h PHE 325 Cb -0.03 0.44 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 1th2 h PHE 325 CO -0.06 -0.73 0.51 0.00 -2.23 0.00 0.00 178.31 175.80 1th2 h ALA 326 N -1.26 1.08 0.01 2.41 0.00 -1.97 -0.93 119.26 118.60 1th2 h ALA 326 Ca -0.11 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.46 1th2 h ALA 326 Cb 0.96 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1th2 h ALA 326 CO 0.14 0.30 -1.88 0.39 0.00 0.00 0.00 179.25 178.20 1th2 n GLU 327 N -4.61 0.66 -0.07 0.00 1.02 -0.65 -4.21 120.64 112.77 1th2 n GLU 327 Ca 0.10 0.24 -0.13 0.00 -0.02 0.00 0.00 57.16 57.35 1th2 n GLU 327 Cb 0.12 -1.73 -0.06 0.00 -0.02 0.00 0.00 31.44 29.75 1th2 n GLU 327 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1th2 n VAL 328 N -3.04 0.77 -0.24 2.62 0.31 0.14 -4.22 118.33 114.67 1th2 n VAL 328 Ca -0.22 -0.24 -0.06 0.00 -0.01 0.00 0.00 64.34 63.81 1th2 n VAL 328 Cb 1.07 -1.39 0.04 0.00 -0.91 0.00 0.00 33.84 32.65 1th2 n VAL 328 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1th2 h GLU 329 N -0.30 0.95 -0.00 5.55 4.57 -0.85 -2.53 114.58 121.98 1th2 h GLU 329 Ca -0.33 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1th2 h GLU 329 Cb 1.37 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1th2 h GLU 329 CO -0.15 0.75 -0.02 1.04 -1.18 0.00 0.00 179.01 179.45 1th2 n GLN 330 N -4.47 0.89 -1.79 1.92 6.02 -0.39 -4.89 117.38 114.67 1th2 n GLN 330 Ca 0.05 -0.16 -0.41 0.00 -0.01 0.00 0.00 57.00 56.46 1th2 n GLN 330 Cb 0.12 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.87 1th2 n GLN 330 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1th2 s LEU 331 N -2.22 4.34 -0.08 1.08 1.43 -0.96 -4.85 118.68 117.42 1th2 s LEU 331 Ca 0.39 2.95 -0.02 0.00 -1.03 0.00 0.00 54.13 56.43 1th2 s LEU 331 Cb 0.21 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.82 1th2 s LEU 331 CO 0.41 -0.90 0.01 0.00 0.23 0.00 0.00 176.35 176.10 1th2 s ALA 332 N -0.16 0.69 -0.15 4.21 0.00 -1.26 -5.05 121.76 120.04 1th2 s ALA 332 Ca 0.62 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.38 1th2 s ALA 332 Cb -0.47 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 1th2 s ALA 332 CO 0.50 -0.54 -0.06 -0.06 0.00 0.00 0.00 175.76 175.59 1th2 s PHE 333 N 1.98 2.97 -0.22 0.00 0.40 -1.26 -4.92 117.98 116.92 1th2 s PHE 333 Ca 0.04 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 55.99 1th2 s PHE 333 Cb -0.13 -1.94 0.04 0.00 0.51 0.00 0.00 43.02 41.51 1th2 s PHE 333 CO -0.05 -0.10 -0.14 -0.51 0.70 0.00 0.00 175.22 175.12 1th2 s ASP 334 N 0.40 3.84 0.55 1.36 1.01 -1.26 -4.86 116.67 117.70 1th2 s ASP 334 Ca -0.05 -1.07 0.27 0.00 0.71 0.00 0.00 52.55 52.40 1th2 s ASP 334 Cb -0.15 -1.46 1.45 0.00 1.01 0.00 0.00 42.92 43.77 1th2 s ASP 334 CO 0.03 -0.12 1.99 -0.65 0.21 0.00 0.00 175.17 176.63 1th2 h PRO 335 N 7.86 0.00 0.00 8.23 0.11 -1.83 0.34 132.00 146.71 1th2 h PRO 335 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1th2 h PRO 335 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1th2 h PRO 335 CO 0.52 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.97 1th2 h SER 336 N 0.00 0.00 -1.87 -2.05 4.64 -1.84 -3.39 113.55 109.04 1th2 h SER 336 Ca 0.23 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.03 1th2 h SER 336 Cb 1.01 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.02 1th2 h SER 336 CO -0.00 0.00 1.18 0.20 -0.87 0.00 0.00 176.83 177.34 1th2 s ASN 337 N -4.85 5.95 -0.12 4.97 0.02 0.12 -4.94 114.94 116.08 1th2 s ASN 337 Ca -0.01 -0.51 -0.02 0.00 -1.02 0.00 0.00 52.86 51.31 1th2 s ASN 337 Cb 0.10 -2.56 0.04 0.00 0.02 0.00 0.00 41.25 38.85 1th2 s ASN 337 CO 0.39 -1.97 -0.00 -0.04 0.02 0.00 0.00 177.10 175.50 1th2 s MET 338 N 5.98 0.83 0.97 -0.60 -1.94 -1.26 -1.99 119.30 121.29 1th2 s MET 338 Ca 0.47 -0.16 -0.12 0.00 -1.71 0.00 0.00 55.69 54.17 1th2 s MET 338 Cb -0.07 -1.50 0.17 0.00 2.01 0.00 0.00 34.83 35.44 1th2 s MET 338 CO 0.10 -0.41 1.09 -2.14 -0.01 0.00 0.00 175.02 173.64 1th2 s PRO 339 N 1.87 0.66 -0.11 2.03 0.02 -1.26 -4.85 135.00 133.36 1th2 s PRO 339 Ca 0.03 0.66 -0.29 0.00 0.02 0.00 0.00 61.00 61.42 1th2 s PRO 339 Cb -0.14 -1.75 -0.06 0.00 0.02 0.00 0.00 34.50 32.57 1th2 s PRO 339 CO -0.07 -2.61 1.99 -2.14 -0.33 0.00 0.00 177.00 173.85 1th2 s PRO 340 N -4.92 3.68 0.00 5.54 0.02 -1.26 -1.68 135.00 136.37 1th2 s PRO 340 Ca 0.65 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.86 1th2 s PRO 340 Cb -0.19 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 30.11 1th2 s PRO 340 CO 0.58 -1.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.19 1th2 n GLY 341 N 5.04 1.40 3.16 0.52 0.00 -1.26 -3.34 105.19 110.71 1th2 n GLY 341 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1th2 n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th2 s ILE 342 N -0.68 1.59 0.01 -0.61 1.01 -0.68 -1.56 121.20 120.27 1th2 s ILE 342 Ca 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.75 1th2 s ILE 342 Cb 0.00 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.12 1th2 s ILE 342 CO 0.00 0.45 0.20 -1.61 0.00 0.00 0.00 174.94 173.98 1th2 s GLU 343 N 0.03 0.59 1.37 2.79 2.02 -0.23 -4.56 118.70 120.70 1th2 s GLU 343 Ca -0.05 -0.40 -0.22 0.00 0.02 0.00 0.00 54.97 54.31 1th2 s GLU 343 Cb -0.12 0.25 0.35 0.00 0.10 0.00 0.00 34.13 34.70 1th2 s GLU 343 CO 0.03 -0.16 0.79 -0.35 0.02 0.00 0.00 175.26 175.59 1th2 n PRO 344 N 1.20 -4.51 -4.14 0.39 -0.04 -1.26 -0.57 135.00 126.07 1th2 n PRO 344 Ca -0.21 -1.33 -0.11 0.00 -0.04 0.00 0.00 63.50 61.81 1th2 n PRO 344 Cb 0.56 -1.77 -0.10 0.00 -0.04 0.00 0.00 33.50 32.15 1th2 n PRO 344 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1th2 s SER 345 N -2.96 1.00 0.00 3.54 1.04 -1.26 -3.96 113.70 111.11 1th2 s SER 345 Ca 0.61 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1th2 s SER 345 Cb -0.11 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.11 1th2 s SER 345 CO 0.51 -0.43 0.65 -2.65 0.98 0.00 0.00 173.24 172.30 1th2 n PRO 346 N 0.27 0.00 -1.69 4.02 -0.02 -1.26 -4.56 135.00 131.76 1th2 n PRO 346 Ca -0.14 0.18 -0.62 0.00 -2.02 0.00 0.00 63.50 60.90 1th2 n PRO 346 Cb 0.60 -1.76 -0.09 0.00 -0.02 0.00 0.00 33.50 32.23 1th2 n PRO 346 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1th2 n ASP 347 N -1.15 1.72 -0.01 2.55 -0.08 -1.26 -4.81 116.55 113.51 1th2 n ASP 347 Ca 0.00 1.07 -0.09 0.00 -1.51 0.00 0.00 54.79 54.26 1th2 n ASP 347 Cb 0.26 -1.01 -0.04 0.00 2.34 0.00 0.00 41.12 42.68 1th2 n ASP 347 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1th2 h LYS 348 N 6.53 -0.02 0.05 -0.67 1.57 -1.84 0.21 116.57 122.39 1th2 h LYS 348 Ca -0.42 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.37 1th2 h LYS 348 Cb 1.35 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.64 1th2 h LYS 348 CO 0.98 -0.02 -0.24 1.98 -0.57 0.00 0.00 179.45 181.58 1th2 h MET 349 N -0.03 -0.33 -0.25 3.15 4.05 -1.88 -1.25 114.93 118.40 1th2 h MET 349 Ca 0.07 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.55 1th2 h MET 349 Cb 0.13 0.08 -0.07 0.00 -0.80 0.00 0.00 31.60 30.94 1th2 h MET 349 CO -0.16 -0.22 -0.53 1.25 0.23 0.00 0.00 176.91 177.48 1th2 h LEU 350 N -0.35 -1.74 -0.99 3.39 5.85 -1.86 -0.58 115.31 119.04 1th2 h LEU 350 Ca -0.00 0.22 0.29 0.00 0.84 0.00 0.00 57.88 59.23 1th2 h LEU 350 Cb 0.35 0.69 -0.18 0.00 0.37 0.00 0.00 40.66 41.89 1th2 h LEU 350 CO -0.14 -0.44 0.10 0.00 -0.34 0.00 0.00 178.44 177.63 1th2 n GLN 351 N -5.31 -0.08 0.05 1.25 1.13 0.71 0.23 117.38 115.36 1th2 n GLN 351 Ca -0.05 1.46 -0.01 0.00 -1.94 0.00 0.00 57.00 56.46 1th2 n GLN 351 Cb 0.35 -2.36 0.26 0.00 0.11 0.00 0.00 30.24 28.60 1th2 n GLN 351 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1th2 h GLY 352 N 0.00 0.41 2.00 1.08 0.00 0.10 -2.07 103.07 104.59 1th2 h GLY 352 Ca 0.63 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 1th2 h GLY 352 CO -0.90 0.29 -0.11 3.21 0.00 0.00 0.00 176.54 179.03 1th2 h ARG 353 N 0.35 0.00 0.00 4.80 3.08 0.39 -2.68 114.38 120.32 1th2 h ARG 353 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1th2 h ARG 353 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1th2 h ARG 353 CO 0.04 0.11 0.00 -0.07 -1.07 0.00 0.00 179.97 178.98 1th2 h LEU 354 N 0.00 0.00 0.00 3.04 3.38 -0.48 -3.26 115.31 118.00 1th2 h LEU 354 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1th2 h LEU 354 Cb 0.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1th2 h LEU 354 CO 0.01 0.00 -1.60 0.33 0.09 0.00 0.00 178.44 177.28 1th2 n PHE 355 N -2.60 0.00 -0.24 1.13 -0.00 -1.02 -4.67 117.46 110.06 1th2 n PHE 355 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.45 57.39 1th2 n PHE 355 Cb 0.12 -0.59 0.00 0.00 -0.00 0.00 0.00 39.48 39.00 1th2 n PHE 355 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1th2 h ALA 356 N -0.73 -0.08 -0.11 3.13 0.00 -1.60 -2.35 119.26 117.52 1th2 h ALA 356 Ca -0.32 0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1th2 h ALA 356 Cb 1.18 0.89 -0.06 0.00 0.00 0.00 0.00 17.79 19.79 1th2 h ALA 356 CO -0.19 -0.71 -0.31 1.88 0.00 0.00 0.00 179.25 179.92 1th2 h TYR 357 N -0.14 -0.84 -0.56 0.00 -1.99 -1.85 0.50 116.97 112.08 1th2 h TYR 357 Ca 0.24 0.04 -0.11 0.00 2.00 0.00 0.00 58.73 60.90 1th2 h TYR 357 Cb 0.56 0.39 -0.02 0.00 2.00 0.00 0.00 36.73 39.66 1th2 h TYR 357 CO -0.71 -0.39 -0.06 -1.35 -0.00 0.00 0.00 178.16 175.65 1th2 h PRO 358 N -0.39 1.04 0.32 4.88 0.11 -1.81 -2.04 132.00 134.10 1th2 h PRO 358 Ca 0.09 -0.36 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 1th2 h PRO 358 Cb 0.53 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 1th2 h PRO 358 CO -0.33 1.05 -0.48 0.22 -0.21 0.00 0.00 178.00 178.26 1th2 h ASP 359 N 0.92 -1.36 -0.62 -2.05 3.58 -0.84 -1.49 116.42 114.56 1th2 h ASP 359 Ca 0.15 0.12 0.02 0.00 0.42 0.00 0.00 57.03 57.75 1th2 h ASP 359 Cb 0.62 0.47 -0.03 0.00 1.72 0.00 0.00 39.33 42.12 1th2 h ASP 359 CO 0.04 -0.58 0.41 0.00 -2.88 0.00 0.00 179.24 176.23 1th2 h THR 360 N -0.84 1.12 -0.63 2.25 1.03 -0.04 -2.19 112.91 113.61 1th2 h THR 360 Ca -0.04 -0.27 0.02 0.00 -0.01 0.00 0.00 66.41 66.11 1th2 h THR 360 Cb 0.77 0.27 -0.04 0.00 -1.07 0.00 0.00 68.15 68.07 1th2 h THR 360 CO -0.14 0.14 0.40 0.45 -0.01 0.00 0.00 175.52 176.36 1th2 h HIS 361 N 0.79 0.75 0.00 0.00 3.86 -0.89 0.33 115.15 119.99 1th2 h HIS 361 Ca 0.24 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1th2 h HIS 361 Cb -0.02 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.21 1th2 h HIS 361 CO -0.00 0.44 0.00 0.00 0.86 0.00 0.00 177.93 179.23 1th2 h ARG 362 N 0.79 0.00 0.00 2.45 3.08 -0.63 0.24 114.38 120.32 1th2 h ARG 362 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1th2 h ARG 362 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1th2 h ARG 362 CO -0.09 0.00 -0.27 1.58 -1.07 0.00 0.00 179.97 180.13 1th2 n HIS 363 N -2.58 0.31 -0.10 3.04 -0.00 0.17 -2.82 115.22 113.25 1th2 n HIS 363 Ca -0.01 0.13 0.06 0.00 0.46 0.00 0.00 57.72 58.36 1th2 n HIS 363 Cb 0.08 -0.41 0.40 0.00 -0.12 0.00 0.00 29.99 29.94 1th2 n HIS 363 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 1th2 h ARG 364 N -0.43 0.62 0.00 1.57 2.43 -0.36 -3.32 114.38 114.89 1th2 h ARG 364 Ca 0.00 -0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 1th2 h ARG 364 Cb 0.27 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1th2 h ARG 364 CO 0.00 0.41 -1.70 1.28 -1.51 0.00 0.00 179.97 178.45 1th2 n LEU 365 N -4.47 2.12 0.00 3.80 4.77 0.80 -4.46 117.00 119.56 1th2 n LEU 365 Ca 0.07 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1th2 n LEU 365 Cb 0.17 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1th2 n LEU 365 CO 0.35 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1th2 n GLY 366 N 2.75 3.69 0.40 -0.72 0.00 -0.87 -4.77 105.19 105.67 1th2 n GLY 366 Ca -0.20 -1.77 0.22 0.00 0.00 0.00 0.00 46.02 44.27 1th2 n GLY 366 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1th2 h PRO 367 N 0.00 0.39 -0.95 1.61 0.11 -1.86 -1.90 132.00 129.41 1th2 h PRO 367 Ca 0.00 -0.02 -0.60 0.00 0.11 0.00 0.00 66.00 65.48 1th2 h PRO 367 Cb 0.00 -0.09 -0.30 0.00 0.11 0.00 0.00 31.00 30.73 1th2 h PRO 367 CO 0.00 0.26 0.65 0.09 -0.21 0.00 0.00 178.00 178.79 1th2 n ASN 368 N -4.63 6.21 0.14 -2.05 3.02 -1.26 -4.71 115.26 111.97 1th2 n ASN 368 Ca 0.25 -3.74 0.11 0.00 -0.03 0.00 0.00 54.58 51.17 1th2 n ASN 368 Cb 0.86 -0.88 0.62 0.00 -0.61 0.00 0.00 39.78 39.78 1th2 n ASN 368 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1th2 h TYR 369 N 1.70 0.08 0.00 3.10 -0.00 -1.64 -0.36 116.97 119.84 1th2 h TYR 369 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.31 1th2 h TYR 369 Cb 1.45 -0.03 0.00 0.00 -0.00 0.00 0.00 36.73 38.16 1th2 h TYR 369 CO 1.42 0.05 0.00 1.28 -0.00 0.00 0.00 178.16 180.91 1th2 n LEU 370 N -4.48 0.00 -0.41 0.10 4.77 -1.26 -1.41 117.00 114.31 1th2 n LEU 370 Ca 0.02 0.40 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1th2 n LEU 370 Cb 0.25 -0.40 0.38 0.00 -2.33 0.00 0.00 43.42 41.32 1th2 n LEU 370 CO 0.35 -0.23 0.70 0.00 -1.33 0.00 0.00 177.39 176.88 1th2 n GLN 371 N -1.40 1.28 -2.73 3.23 6.02 -0.15 -2.64 117.38 121.00 1th2 n GLN 371 Ca 0.05 -0.82 -0.42 0.00 -0.01 0.00 0.00 57.00 55.80 1th2 n GLN 371 Cb 0.13 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 1th2 n GLN 371 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1th2 s ILE 372 N -2.28 4.83 0.00 5.09 1.01 -0.50 -4.85 121.20 124.50 1th2 s ILE 372 Ca 0.29 2.03 0.00 0.00 0.00 0.00 0.00 60.65 62.97 1th2 s ILE 372 Cb 0.20 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1th2 s ILE 372 CO 0.44 0.18 0.41 -2.65 0.00 0.00 0.00 174.94 173.32 1th2 n PRO 373 N 3.76 0.00 0.30 2.79 -0.02 -1.26 -0.93 135.00 139.63 1th2 n PRO 373 Ca 0.05 0.41 0.15 0.00 -2.02 0.00 0.00 63.50 62.09 1th2 n PRO 373 Cb 0.51 -0.66 0.74 0.00 -0.02 0.00 0.00 33.50 34.06 1th2 n PRO 373 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1th2 h VAL 374 N 0.00 0.05 0.00 -1.45 -1.51 -1.93 0.12 116.25 111.54 1th2 h VAL 374 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.36 1th2 h VAL 374 Cb 0.00 0.60 -0.02 0.00 -2.13 0.00 0.00 31.29 29.74 1th2 h VAL 374 CO 0.00 0.00 -1.73 0.59 -1.23 0.00 0.00 177.57 175.20 1th2 n ASN 375 N -2.97 0.38 -4.71 4.19 3.02 -0.10 -4.93 115.26 110.14 1th2 n ASN 375 Ca -0.00 0.16 -0.42 0.00 -0.03 0.00 0.00 54.58 54.28 1th2 n ASN 375 Cb 0.48 1.05 -0.01 0.00 -0.61 0.00 0.00 39.78 40.70 1th2 n ASN 375 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1th2 n PRO 377 N 0.53 3.55 0.25 0.00 -0.04 -1.26 -4.80 135.00 133.23 1th2 n PRO 377 Ca 0.04 -3.42 0.12 0.00 -0.04 0.00 0.00 63.50 60.20 1th2 n PRO 377 Cb 0.36 -2.96 0.64 0.00 -0.04 0.00 0.00 33.50 31.50 1th2 n PRO 377 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1th2 h TYR 378 N 5.75 0.00 -0.07 0.54 -0.00 -1.90 -2.32 116.97 118.97 1th2 h TYR 378 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.15 1th2 h TYR 378 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.35 1th2 h TYR 378 CO 1.28 0.16 0.00 0.54 -0.00 0.00 0.00 178.16 180.14 1th2 n ARG 379 N -3.55 1.30 -4.68 0.10 5.12 -1.26 -4.80 116.66 108.90 1th2 n ARG 379 Ca -0.01 -0.45 -0.30 0.00 -1.93 0.00 0.00 57.85 55.16 1th2 n ARG 379 Cb 0.30 -1.34 -0.09 0.00 -1.16 0.00 0.00 32.46 30.17 1th2 n ARG 379 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1th2 s ALA 380 N -1.92 3.57 -0.47 7.54 0.00 -0.87 -4.32 121.76 125.29 1th2 s ALA 380 Ca 0.30 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.93 1th2 s ALA 380 Cb 0.15 0.14 0.12 0.00 0.00 0.00 0.00 23.12 23.54 1th2 s ALA 380 CO 0.24 -0.09 0.22 0.50 0.00 0.00 0.00 175.76 176.63 1th2 s ARG 381 N -3.80 1.91 -0.00 0.00 6.06 -1.26 -4.95 118.95 116.91 1th2 s ARG 381 Ca 0.21 -2.32 -0.30 0.00 -2.50 0.00 0.00 55.73 50.81 1th2 s ARG 381 Cb 0.06 -3.37 -0.06 0.00 0.06 0.00 0.00 34.95 31.64 1th2 s ARG 381 CO 0.11 -1.06 1.49 0.08 -2.50 0.00 0.00 175.30 173.41 1th2 s VAL 382 N 0.22 3.58 -0.22 7.11 1.01 -1.26 -4.97 120.40 125.86 1th2 s VAL 382 Ca 0.14 0.92 -0.09 0.00 0.00 0.00 0.00 61.98 62.96 1th2 s VAL 382 Cb -0.23 -3.59 0.09 0.00 0.00 0.00 0.00 36.38 32.64 1th2 s VAL 382 CO -0.03 -0.02 0.49 0.00 0.00 0.00 0.00 175.10 175.53 1th2 s ALA 383 N 2.79 -1.36 0.00 5.51 0.00 -1.26 -5.08 121.76 122.36 1th2 s ALA 383 Ca 0.67 1.76 0.00 0.00 0.00 0.00 0.00 51.96 54.39 1th2 s ALA 383 Cb -0.33 -1.29 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1th2 s ALA 383 CO 0.27 -0.59 0.00 0.27 0.00 0.00 0.00 175.76 175.71 1th2 n ASN 384 N 4.93 0.00 -0.29 0.00 0.23 -1.26 -4.94 115.26 113.93 1th2 n ASN 384 Ca -0.15 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 53.99 1th2 n ASN 384 Cb 0.52 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.39 1th2 n ASN 384 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1th2 n TYR 385 N 0.00 0.19 -3.47 -2.53 4.01 -1.26 -4.86 117.16 109.24 1th2 n TYR 385 Ca 0.00 -1.05 -0.38 0.00 -0.16 0.00 0.00 57.90 56.32 1th2 n TYR 385 Cb 0.00 -0.20 -0.06 0.00 -0.31 0.00 0.00 39.34 38.77 1th2 n TYR 385 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1th2 s GLN 386 N -2.92 4.03 0.06 -0.72 -0.21 -1.26 -4.89 119.66 113.74 1th2 s GLN 386 Ca 0.35 0.40 -0.08 0.00 0.02 0.00 0.00 55.36 56.05 1th2 s GLN 386 Cb 0.30 -3.28 -0.00 0.00 1.00 0.00 0.00 33.01 31.03 1th2 s GLN 386 CO 0.03 0.56 0.17 1.03 -2.12 0.00 0.00 175.29 174.96 1th2 s ARG 387 N -0.65 0.74 4.91 2.91 1.81 -1.26 -4.95 118.95 122.46 1th2 s ARG 387 Ca 0.24 -0.82 0.00 0.00 -1.72 0.00 0.00 55.73 53.43 1th2 s ARG 387 Cb -0.16 0.30 0.00 0.00 -0.45 0.00 0.00 34.95 34.64 1th2 s ARG 387 CO 0.12 -0.22 0.00 -0.25 -0.68 0.00 0.00 175.30 174.27 1th2 n ASP 388 N 0.35 0.00 0.00 0.23 8.00 -1.26 -5.06 116.55 118.80 1th2 n ASP 388 Ca -0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.33 1th2 n ASP 388 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1th2 n ASP 388 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1th2 n GLY 389 N 0.00 0.12 3.73 0.44 0.00 -1.26 -4.75 105.19 103.48 1th2 n GLY 389 Ca 0.00 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 1th2 n GLY 389 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1th2 s PRO 390 N -3.49 2.57 -1.56 1.61 0.04 -1.26 -3.22 135.00 129.68 1th2 s PRO 390 Ca 0.00 1.93 -0.15 0.00 0.04 0.00 0.00 61.00 62.83 1th2 s PRO 390 Cb 0.00 -1.86 0.10 0.00 0.04 0.00 0.00 34.50 32.78 1th2 s PRO 390 CO 0.00 -1.55 0.94 -1.33 0.04 0.00 0.00 177.00 175.10 1th2 n MET 391 N -2.01 -5.06 -1.83 4.56 2.81 -1.26 -4.41 117.12 109.92 1th2 n MET 391 Ca 0.15 0.56 -0.41 0.00 -1.81 0.00 0.00 57.70 56.18 1th2 n MET 391 Cb 0.49 -5.42 -0.03 0.00 -0.71 0.00 0.00 33.22 27.55 1th2 n MET 391 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1th2 n MET 393 N 8.76 -0.81 0.00 0.00 2.81 -1.26 -4.91 117.12 121.71 1th2 n MET 393 Ca 0.27 -1.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.09 1th2 n MET 393 Cb 0.49 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 32.27 1th2 n MET 393 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1th2 n MET 394 N -2.55 0.00 -0.02 0.03 2.81 -1.26 -3.68 117.12 112.45 1th2 n MET 394 Ca 0.09 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 56.05 1th2 n MET 394 Cb 0.30 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 32.89 1th2 n MET 394 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1th2 n ASP 395 N -3.10 2.34 -1.52 7.83 4.64 -1.26 -4.96 116.55 120.52 1th2 n ASP 395 Ca 0.00 -1.66 -0.14 0.00 -1.38 0.00 0.00 54.79 51.61 1th2 n ASP 395 Cb 0.00 -0.03 -0.02 0.00 -1.04 0.00 0.00 41.12 40.04 1th2 n ASP 395 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1th2 n ASN 396 N 0.85 -4.38 -0.45 1.67 5.15 -1.24 -1.68 115.26 115.17 1th2 n ASN 396 Ca 0.09 0.04 -0.05 0.00 -0.60 0.00 0.00 54.58 54.06 1th2 n ASN 396 Cb 0.38 -3.48 -0.02 0.00 -0.53 0.00 0.00 39.78 36.14 1th2 n ASN 396 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1th2 n GLN 397 N -2.39 -0.39 0.00 1.20 6.02 -1.26 -4.83 117.38 115.73 1th2 n GLN 397 Ca -0.16 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 1th2 n GLN 397 Cb 0.60 -4.35 0.00 0.00 1.02 0.00 0.00 30.24 27.51 1th2 n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1th2 n GLY 398 N -2.08 1.78 0.40 1.08 0.00 -0.68 -2.80 105.19 102.90 1th2 n GLY 398 Ca -0.06 -0.32 0.02 0.00 0.00 0.00 0.00 46.02 45.66 1th2 n GLY 398 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th2 n GLY 399 N 0.00 0.24 3.72 -0.02 0.00 -1.26 -4.96 105.19 102.90 1th2 n GLY 399 Ca 0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1th2 n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th2 n ALA 400 N -0.02 1.22 -1.74 4.61 0.00 -1.12 -4.92 120.51 118.54 1th2 n ALA 400 Ca 0.05 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 1th2 n ALA 400 Cb 0.21 -2.31 -0.00 0.00 0.00 0.00 0.00 19.45 17.35 1th2 n ALA 400 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1th2 n PRO 401 N -1.25 2.42 -0.15 0.00 -0.02 -1.26 -4.93 135.00 129.80 1th2 n PRO 401 Ca 0.13 0.85 0.06 0.00 -2.02 0.00 0.00 63.50 62.51 1th2 n PRO 401 Cb 0.46 -2.51 0.14 0.00 -0.02 0.00 0.00 33.50 31.57 1th2 n PRO 401 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1th2 n ASN 402 N 0.64 2.80 -4.25 2.55 2.04 -1.26 -4.93 115.26 112.85 1th2 n ASN 402 Ca 0.03 -1.92 -0.29 0.00 -0.44 0.00 0.00 54.58 51.96 1th2 n ASN 402 Cb 0.37 -0.20 -0.16 0.00 -2.53 0.00 0.00 39.78 37.26 1th2 n ASN 402 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1th2 s TYR 403 N -0.99 2.06 -0.06 -2.53 1.13 -1.26 -4.84 117.35 110.86 1th2 s TYR 403 Ca 0.22 -0.44 0.04 0.00 -1.41 0.00 0.00 57.07 55.49 1th2 s TYR 403 Cb 0.12 -1.33 -0.00 0.00 -1.10 0.00 0.00 41.96 39.64 1th2 s TYR 403 CO 0.16 -0.07 -0.18 -0.47 -2.51 0.00 0.00 175.55 172.48 1th2 s TYR 404 N -0.44 1.84 0.66 -3.49 5.04 -1.26 -3.69 117.35 116.01 1th2 s TYR 404 Ca 0.06 -0.59 -0.12 0.00 -2.44 0.00 0.00 57.07 53.98 1th2 s TYR 404 Cb -0.10 -1.25 -0.01 0.00 0.35 0.00 0.00 41.96 40.96 1th2 s TYR 404 CO -0.00 -0.22 1.05 -1.25 -1.34 0.00 0.00 175.55 173.79 1th2 s PRO 405 N 0.17 3.12 0.18 4.97 0.04 -1.26 -5.21 135.00 137.02 1th2 s PRO 405 Ca -0.08 0.96 -0.07 0.00 0.04 0.00 0.00 61.00 61.86 1th2 s PRO 405 Cb -0.13 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 1th2 s PRO 405 CO 0.03 -0.96 0.25 0.54 0.04 0.00 0.00 177.00 176.91 1th2 s ASN 406 N -3.68 0.08 -0.48 6.66 2.20 -1.24 -5.07 114.94 113.41 1th2 s ASN 406 Ca 0.58 -1.06 0.04 0.00 -0.94 0.00 0.00 52.86 51.49 1th2 s ASN 406 Cb -0.14 0.43 0.42 0.00 -2.00 0.00 0.00 41.25 39.96 1th2 s ASN 406 CO 0.51 -0.91 1.28 -1.20 -2.94 0.00 0.00 177.10 173.85 1th2 n SER 407 N -0.24 5.22 -0.48 3.54 7.64 -1.26 -4.62 113.62 123.42 1th2 n SER 407 Ca -0.04 -3.74 0.01 0.00 1.01 0.00 0.00 58.87 56.11 1th2 n SER 407 Cb 0.64 -0.54 0.02 0.00 -1.01 0.00 0.00 64.21 63.31 1th2 n SER 407 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1th2 n PHE 408 N -0.54 0.00 -2.61 1.43 3.01 -1.26 -5.02 117.46 112.46 1th2 n PHE 408 Ca 0.43 -0.13 -0.13 0.00 1.01 0.00 0.00 57.45 58.63 1th2 n PHE 408 Cb 0.65 -0.06 0.02 0.00 -0.01 0.00 0.00 39.48 40.07 1th2 n PHE 408 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1th2 n SER 409 N -0.15 -4.14 -4.41 4.37 7.64 -1.26 -4.94 113.62 110.72 1th2 n SER 409 Ca 0.02 -0.14 -0.29 0.00 1.01 0.00 0.00 58.87 59.47 1th2 n SER 409 Cb 0.70 -3.09 0.16 0.00 -1.01 0.00 0.00 64.21 60.97 1th2 n SER 409 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1th2 s ALA 410 N -2.85 2.15 -0.32 -0.43 0.00 -1.26 -4.91 121.76 114.13 1th2 s ALA 410 Ca 0.14 -0.93 -0.44 0.00 0.00 0.00 0.00 51.96 50.73 1th2 s ALA 410 Cb -0.06 -2.87 -0.20 0.00 0.00 0.00 0.00 23.12 19.98 1th2 s ALA 410 CO 0.18 -2.30 1.42 -2.30 0.00 0.00 0.00 175.76 172.76 1th2 n PRO 411 N -3.73 0.03 -3.92 0.00 -0.02 -1.26 -4.97 135.00 121.14 1th2 n PRO 411 Ca 0.12 0.01 -0.23 0.00 -2.02 0.00 0.00 63.50 61.37 1th2 n PRO 411 Cb 0.60 -1.51 -0.02 0.00 -0.02 0.00 0.00 33.50 32.54 1th2 n PRO 411 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1th2 s GLU 412 N 1.96 3.45 0.61 -0.52 0.41 -1.26 -5.03 118.70 118.31 1th2 s GLU 412 Ca 1.00 -0.65 -0.02 0.00 -0.41 0.00 0.00 54.97 54.89 1th2 s GLU 412 Cb -1.41 -2.91 0.05 0.00 -1.78 0.00 0.00 34.13 28.08 1th2 s GLU 412 CO 0.73 0.45 0.87 -3.38 -0.49 0.00 0.00 175.26 173.44 1th2 s HIS 413 N -1.90 2.84 -0.33 1.61 -3.43 -1.26 -5.08 115.29 107.74 1th2 s HIS 413 Ca 0.35 0.15 0.01 0.00 -0.80 0.00 0.00 55.06 54.76 1th2 s HIS 413 Cb -0.10 -2.93 0.08 0.00 -1.43 0.00 0.00 32.58 28.20 1th2 s HIS 413 CO 0.29 -1.10 0.04 -1.14 -2.00 0.00 0.00 174.74 170.83 1th2 s GLN 414 N -4.95 2.02 0.64 -0.38 -0.44 -1.26 -4.96 119.66 110.33 1th2 s GLN 414 Ca 0.59 -1.59 0.38 0.00 -2.50 0.00 0.00 55.36 52.24 1th2 s GLN 414 Cb -0.10 -3.23 2.15 0.00 -1.64 0.00 0.00 33.01 30.19 1th2 s GLN 414 CO 0.41 -0.81 2.29 -1.00 0.50 0.00 0.00 175.29 176.68 1th2 h PRO 415 N 7.86 0.00 -0.50 1.67 0.13 -2.00 -1.01 132.00 138.14 1th2 h PRO 415 Ca -0.14 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.95 1th2 h PRO 415 Cb 1.04 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1th2 h PRO 415 CO 0.55 0.00 0.16 1.03 -0.23 0.00 0.00 178.00 179.52 1th2 h SER 416 N 0.00 0.68 -0.11 1.44 0.87 -2.04 -2.26 113.55 112.13 1th2 h SER 416 Ca 0.01 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1th2 h SER 416 Cb 0.08 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1th2 h SER 416 CO -0.00 0.64 0.00 0.00 -0.53 0.00 0.00 176.83 176.94 1th2 n ALA 417 N -2.46 2.49 -1.92 6.23 0.00 -0.38 -4.88 120.51 119.59 1th2 n ALA 417 Ca 0.04 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 1th2 n ALA 417 Cb 0.19 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 1th2 n ALA 417 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1th2 s LEU 418 N -1.06 4.37 0.84 0.00 0.20 -0.85 -4.93 118.68 117.24 1th2 s LEU 418 Ca 0.10 2.53 -0.13 0.00 0.69 0.00 0.00 54.13 57.31 1th2 s LEU 418 Cb 0.05 -3.57 0.06 0.00 -0.43 0.00 0.00 46.19 42.29 1th2 s LEU 418 CO 0.07 -0.87 0.88 -0.62 -0.29 0.00 0.00 176.35 175.52 1th2 n GLU 419 N 5.14 0.03 -2.42 1.98 1.02 -1.26 -4.93 120.64 120.20 1th2 n GLU 419 Ca 0.15 0.08 -0.42 0.00 -0.02 0.00 0.00 57.16 56.95 1th2 n GLU 419 Cb 0.40 -2.18 -0.03 0.00 -0.02 0.00 0.00 31.44 29.61 1th2 n GLU 419 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1th2 s HIS 420 N -2.20 3.39 -0.23 -0.32 5.65 -1.26 -5.00 115.29 115.33 1th2 s HIS 420 Ca 0.67 1.27 -0.19 0.00 0.25 0.00 0.00 55.06 57.06 1th2 s HIS 420 Cb -0.28 -3.43 -0.03 0.00 -1.18 0.00 0.00 32.58 27.66 1th2 s HIS 420 CO 0.57 -1.33 0.57 1.03 -0.65 0.00 0.00 174.74 174.93 1th2 s ARG 421 N 1.22 4.14 -0.16 2.88 0.52 -1.26 -5.05 118.95 121.24 1th2 s ARG 421 Ca 0.59 0.48 -0.01 0.00 -0.52 0.00 0.00 55.73 56.26 1th2 s ARG 421 Cb -0.29 -3.61 -0.01 0.00 0.52 0.00 0.00 34.95 31.56 1th2 s ARG 421 CO 0.28 -0.29 -0.11 0.99 0.02 0.00 0.00 175.30 176.20 1th2 s THR 422 N 2.11 3.12 0.15 0.02 2.01 -1.26 -5.10 115.64 116.69 1th2 s THR 422 Ca 0.25 -0.62 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 1th2 s THR 422 Cb -0.16 -2.35 -0.07 0.00 0.01 0.00 0.00 72.50 69.94 1th2 s THR 422 CO 0.09 0.50 0.95 -2.28 -0.69 0.00 0.00 174.62 173.19 1th2 s HIS 423 N 0.71 3.87 0.04 4.92 2.46 -1.26 -5.05 115.29 120.97 1th2 s HIS 423 Ca -0.05 1.83 0.04 0.00 0.47 0.00 0.00 55.06 57.36 1th2 s HIS 423 Cb -0.15 -3.02 -0.02 0.00 -0.13 0.00 0.00 32.58 29.25 1th2 s HIS 423 CO 0.02 0.29 -0.13 -0.06 -2.47 0.00 0.00 174.74 172.39 1th2 s PHE 424 N -0.40 1.12 0.02 3.88 0.08 -1.26 -5.15 117.98 116.28 1th2 s PHE 424 Ca 0.45 -0.36 -0.02 0.00 0.12 0.00 0.00 56.93 57.12 1th2 s PHE 424 Cb -0.24 -0.67 -0.02 0.00 -0.57 0.00 0.00 43.02 41.53 1th2 s PHE 424 CO 0.30 0.02 0.02 0.45 -0.10 0.00 0.00 175.22 175.91 1th2 s SER 425 N -1.15 0.20 0.00 1.36 0.15 -1.26 -5.14 113.70 107.87 1th2 s SER 425 Ca 0.00 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1th2 s SER 425 Cb -0.08 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1th2 s SER 425 CO 0.01 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1th2 n GLY 426 N 1.42 4.11 3.60 9.45 0.00 -1.26 -5.10 105.19 117.42 1th2 n GLY 426 Ca -0.23 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 1th2 n GLY 426 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1th2 n ASP 427 N 0.00 0.47 -4.43 1.61 2.03 -1.26 -4.95 116.55 110.02 1th2 n ASP 427 Ca 0.00 0.72 -0.44 0.00 0.52 0.00 0.00 54.79 55.60 1th2 n ASP 427 Cb 0.00 -1.38 -0.08 0.00 -0.72 0.00 0.00 41.12 38.94 1th2 n ASP 427 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1th2 s VAL 428 N -1.68 5.16 0.27 5.18 1.01 -1.26 -5.01 120.40 124.07 1th2 s VAL 428 Ca 0.74 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.79 1th2 s VAL 428 Cb -0.38 -4.09 0.07 0.00 0.00 0.00 0.00 36.38 31.98 1th2 s VAL 428 CO 0.49 -0.52 0.93 0.00 0.00 0.00 0.00 175.10 176.00 1th2 s GLN 429 N 1.90 1.70 -1.15 2.72 -2.07 -1.26 -5.09 119.66 116.41 1th2 s GLN 429 Ca 0.08 -1.09 -0.16 0.00 -1.82 0.00 0.00 55.36 52.36 1th2 s GLN 429 Cb -0.21 0.48 0.14 0.00 -1.09 0.00 0.00 33.01 32.33 1th2 s GLN 429 CO 0.10 -0.80 1.42 1.03 -1.32 0.00 0.00 175.29 175.72 1th2 s ARG 430 N -2.26 3.93 -0.04 9.60 0.52 -1.26 -4.99 118.95 124.45 1th2 s ARG 430 Ca 0.19 -2.20 -0.30 0.00 -0.52 0.00 0.00 55.73 52.90 1th2 s ARG 430 Cb -0.04 -5.13 -0.05 0.00 0.52 0.00 0.00 34.95 30.25 1th2 s ARG 430 CO 0.08 -1.88 1.56 -0.06 0.02 0.00 0.00 175.30 175.01 1th2 s PHE 431 N 2.51 2.31 0.06 -0.53 0.08 -1.26 -4.95 117.98 116.20 1th2 s PHE 431 Ca 0.43 0.43 -0.31 0.00 0.12 0.00 0.00 56.93 57.60 1th2 s PHE 431 Cb -0.02 -3.82 -0.08 0.00 -0.57 0.00 0.00 43.02 38.53 1th2 s PHE 431 CO -0.01 -3.33 1.59 1.21 -0.10 0.00 0.00 175.22 174.58 1th2 s ASN 432 N 2.78 6.66 -0.02 1.36 3.04 -1.26 -4.89 114.94 122.60 1th2 s ASN 432 Ca 0.69 2.41 0.05 0.00 0.04 0.00 0.00 52.86 56.06 1th2 s ASN 432 Cb -0.32 -2.56 0.13 0.00 -1.54 0.00 0.00 41.25 36.95 1th2 s ASN 432 CO 0.28 -0.84 1.10 -1.54 -3.04 0.00 0.00 177.10 173.05 1th2 n SER 433 N 5.42 2.36 0.00 -4.21 3.41 -1.26 -4.64 113.62 114.70 1th2 n SER 433 Ca 0.15 -2.16 0.04 0.00 -0.26 0.00 0.00 58.87 56.64 1th2 n SER 433 Cb 0.41 -0.13 0.18 0.00 -0.26 0.00 0.00 64.21 64.41 1th2 n SER 433 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th2 n ALA 434 N -0.33 1.44 -3.70 7.33 0.00 -1.26 -3.92 120.51 120.07 1th2 n ALA 434 Ca 0.06 -0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.17 1th2 n ALA 434 Cb 0.37 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.55 1th2 n ALA 434 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1th2 s ASN 435 N -2.81 3.66 -0.18 0.00 0.02 -1.26 -4.86 114.94 109.51 1th2 s ASN 435 Ca 0.05 -2.44 0.20 0.00 -1.02 0.00 0.00 52.86 49.66 1th2 s ASN 435 Cb 0.05 -0.96 0.42 0.00 0.02 0.00 0.00 41.25 40.78 1th2 s ASN 435 CO 0.13 -0.29 1.19 0.47 0.02 0.00 0.00 177.10 178.62 1th2 n ASP 436 N 3.79 0.68 -1.41 -1.22 9.92 -1.25 -5.06 116.55 121.99 1th2 n ASP 436 Ca 0.07 -2.04 0.00 0.00 -0.53 0.00 0.00 54.79 52.29 1th2 n ASP 436 Cb 0.36 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 1th2 n ASP 436 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1th2 n ASP 437 N -0.39 -4.51 -0.51 -2.24 -0.08 -1.26 -4.80 116.55 102.75 1th2 n ASP 437 Ca -0.01 0.61 0.07 0.00 -1.51 0.00 0.00 54.79 53.95 1th2 n ASP 437 Cb 0.90 -2.40 0.17 0.00 2.34 0.00 0.00 41.12 42.13 1th2 n ASP 437 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1th2 n ASN 438 N 0.61 1.78 0.00 1.67 4.13 -1.26 -4.80 115.26 117.40 1th2 n ASN 438 Ca 0.00 -3.49 0.00 0.00 1.68 0.00 0.00 54.58 52.77 1th2 n ASN 438 Cb 0.00 -0.48 0.00 0.00 -1.54 0.00 0.00 39.78 37.76 1th2 n ASN 438 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1th2 n VAL 439 N -1.06 0.00 0.00 2.41 0.24 -1.26 -4.66 118.33 114.00 1th2 n VAL 439 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.47 1th2 n VAL 439 Cb 0.71 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 1th2 n VAL 439 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1th2 n THR 440 N -1.38 0.00 -0.31 3.34 -1.04 -1.26 0.39 114.28 114.02 1th2 n THR 440 Ca 0.00 1.02 0.05 0.00 -2.04 0.00 0.00 64.05 63.08 1th2 n THR 440 Cb 0.00 -1.59 0.14 0.00 -1.82 0.00 0.00 70.33 67.05 1th2 n THR 440 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1th2 h GLN 441 N 0.00 0.01 -0.63 -2.82 4.20 -1.94 0.45 115.11 114.38 1th2 h GLN 441 Ca 0.00 -0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.83 1th2 h GLN 441 Cb 0.00 -0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.69 1th2 h GLN 441 CO 0.00 0.01 0.12 0.28 -0.67 0.00 0.00 178.83 178.57 1th2 h VAL 442 N 0.01 0.60 -0.65 -0.54 2.07 -1.68 0.43 116.25 116.49 1th2 h VAL 442 Ca 0.44 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.95 1th2 h VAL 442 Cb 0.71 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1th2 h VAL 442 CO -0.89 0.04 0.43 -0.09 0.02 0.00 0.00 177.57 177.09 1th2 h ARG 443 N 0.25 0.59 0.00 1.57 2.43 0.47 -0.67 114.38 119.01 1th2 h ARG 443 Ca 0.33 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1th2 h ARG 443 Cb 0.52 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1th2 h ARG 443 CO -0.44 0.39 0.00 2.41 -1.51 0.00 0.00 179.97 180.82 1th2 n THR 444 N -4.48 0.44 -0.01 0.20 -1.04 0.12 -2.28 114.28 107.24 1th2 n THR 444 Ca 0.10 0.11 -0.01 0.00 -2.04 0.00 0.00 64.05 62.21 1th2 n THR 444 Cb 0.27 -0.79 -0.00 0.00 -1.82 0.00 0.00 70.33 67.99 1th2 n THR 444 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1th2 n PHE 445 N -1.31 0.08 -0.37 -1.42 7.35 -0.28 -1.13 117.46 120.38 1th2 n PHE 445 Ca 0.09 0.03 0.31 0.00 -0.76 0.00 0.00 57.45 57.12 1th2 n PHE 445 Cb 0.16 -0.22 0.57 0.00 0.35 0.00 0.00 39.48 40.35 1th2 n PHE 445 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 1th2 h TYR 446 N -0.14 0.75 0.00 -5.13 3.20 -1.55 0.90 116.97 115.01 1th2 h TYR 446 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1th2 h TYR 446 Cb 0.10 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.18 1th2 h TYR 446 CO -0.04 -0.26 -0.31 1.28 -1.64 0.00 0.00 178.16 177.19 1th2 n LEU 447 N -4.96 0.74 0.00 2.82 4.77 -0.96 -4.43 117.00 114.97 1th2 n LEU 447 Ca 0.35 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1th2 n LEU 447 Cb 1.22 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1th2 n LEU 447 CO 0.12 -0.44 0.24 1.17 -1.33 0.00 0.00 177.39 177.14 1th2 n LYS 448 N -3.24 0.00 -0.36 3.23 3.00 -1.08 -4.10 118.16 115.62 1th2 n LYS 448 Ca -0.04 0.44 0.08 0.00 -0.00 0.00 0.00 58.31 58.78 1th2 n LYS 448 Cb 0.16 -1.19 0.25 0.00 0.00 0.00 0.00 35.03 34.26 1th2 n LYS 448 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1th2 h VAL 449 N 0.00 0.89 -3.15 3.15 2.07 -0.74 -3.41 116.25 115.06 1th2 h VAL 449 Ca 0.00 -0.33 -0.59 0.00 0.82 0.00 0.00 66.70 66.60 1th2 h VAL 449 Cb 0.00 -0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 29.56 1th2 h VAL 449 CO 0.00 0.18 -0.13 -0.22 0.02 0.00 0.00 177.57 177.42 1th2 s LEU 450 N -10.23 4.47 0.59 2.57 2.96 0.31 -5.02 118.68 114.33 1th2 s LEU 450 Ca -0.12 1.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.87 1th2 s LEU 450 Cb 0.23 -2.73 0.06 0.00 0.50 0.00 0.00 46.19 44.25 1th2 s LEU 450 CO 0.81 0.26 0.82 0.54 -1.32 0.00 0.00 176.35 177.46 1th2 s ASN 451 N -0.83 5.05 0.19 3.68 4.22 -1.26 -4.48 114.94 121.51 1th2 s ASN 451 Ca 0.26 -0.15 -0.12 0.00 -2.14 0.00 0.00 52.86 50.71 1th2 s ASN 451 Cb -0.18 -0.60 0.20 0.00 1.28 0.00 0.00 41.25 41.96 1th2 s ASN 451 CO 0.15 -1.32 1.74 -0.08 -2.04 0.00 0.00 177.10 175.55 1th2 h GLU 452 N -0.05 0.32 0.12 3.55 4.57 -1.93 -1.34 114.58 119.82 1th2 h GLU 452 Ca -0.40 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1th2 h GLU 452 Cb 1.29 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1th2 h GLU 452 CO 0.49 0.21 -0.12 0.93 -1.18 0.00 0.00 179.01 179.34 1th2 h GLU 453 N 0.33 -0.22 -0.52 1.92 3.07 -2.00 -1.01 114.58 116.14 1th2 h GLU 453 Ca 0.26 0.02 0.10 0.00 -0.50 0.00 0.00 59.36 59.24 1th2 h GLU 453 Cb 0.31 0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 28.18 1th2 h GLU 453 CO -0.28 -0.15 0.01 1.96 -1.40 0.00 0.00 179.01 179.15 1th2 h GLN 454 N -0.23 0.13 -1.02 2.33 4.20 -1.96 0.31 115.11 118.86 1th2 h GLN 454 Ca -0.02 -0.01 0.28 0.00 0.06 0.00 0.00 58.65 58.97 1th2 h GLN 454 Cb 0.20 -0.03 -0.13 0.00 0.30 0.00 0.00 27.48 27.82 1th2 h GLN 454 CO -0.01 0.08 0.61 -0.09 -0.67 0.00 0.00 178.83 178.75 1th2 h ARG 455 N 0.13 0.45 -0.54 1.46 2.43 -1.10 0.13 114.38 117.33 1th2 h ARG 455 Ca 0.27 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1th2 h ARG 455 Cb 0.40 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1th2 h ARG 455 CO -0.43 0.30 0.35 -0.22 -1.51 0.00 0.00 179.97 178.46 1th2 h LYS 456 N 0.46 0.72 0.05 0.20 3.64 0.46 -2.89 116.57 119.22 1th2 h LYS 456 Ca 0.67 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.77 1th2 h LYS 456 Cb 1.45 -0.16 0.02 0.00 -0.41 0.00 0.00 32.23 33.13 1th2 h LYS 456 CO -0.49 0.49 -0.93 0.00 -2.27 0.00 0.00 179.45 176.25 1th2 h ARG 457 N 0.74 0.54 -0.80 1.90 3.08 -0.80 -2.69 114.38 116.35 1th2 h ARG 457 Ca 0.20 -0.65 0.13 0.00 0.07 0.00 0.00 59.98 59.73 1th2 h ARG 457 Cb -0.06 0.20 -0.14 0.00 0.08 0.00 0.00 29.97 30.05 1th2 h ARG 457 CO -0.04 1.26 -0.37 1.25 -1.07 0.00 0.00 179.97 181.00 1th2 h LEU 458 N 0.11 -1.34 0.15 3.04 5.85 -0.79 2.34 115.31 124.65 1th2 h LEU 458 Ca -0.13 0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1th2 h LEU 458 Cb 1.63 0.68 0.00 0.00 0.37 0.00 0.00 40.66 43.35 1th2 h LEU 458 CO 0.18 -0.30 -0.07 0.00 -0.34 0.00 0.00 178.44 177.91 1th2 h GLU 460 N -0.21 0.79 -0.62 0.00 5.08 -0.15 -0.14 114.58 119.33 1th2 h GLU 460 Ca -0.02 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1th2 h GLU 460 Cb 0.16 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1th2 h GLU 460 CO 0.03 0.52 0.06 -0.91 -1.00 0.00 0.00 179.01 177.71 1th2 h ASN 461 N 0.81 1.02 0.43 1.42 -0.26 0.41 -0.65 115.58 118.76 1th2 h ASN 461 Ca 0.45 -0.28 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 1th2 h ASN 461 Cb 0.48 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1th2 h ASN 461 CO -0.28 1.04 -0.21 0.40 -1.06 0.00 0.00 177.43 177.33 1th2 h ILE 462 N 0.96 0.38 -0.57 2.81 2.04 -0.43 -3.10 117.51 119.58 1th2 h ILE 462 Ca 0.18 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.57 1th2 h ILE 462 Cb 0.49 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 37.05 1th2 h ILE 462 CO 0.02 0.07 0.13 0.00 0.00 0.00 0.00 178.15 178.37 1th2 h ALA 463 N -0.71 0.68 -0.99 1.87 0.00 -1.09 0.27 119.26 119.29 1th2 h ALA 463 Ca -0.06 0.12 0.25 0.00 0.00 0.00 0.00 54.91 55.22 1th2 h ALA 463 Cb 0.56 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1th2 h ALA 463 CO 0.10 -0.29 0.67 0.78 0.00 0.00 0.00 179.25 180.50 1th2 h GLY 464 N 0.27 0.74 0.00 0.00 0.00 -1.14 0.21 103.07 103.15 1th2 h GLY 464 Ca 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1th2 h GLY 464 CO -0.37 -0.05 -0.34 0.84 0.00 0.00 0.00 176.54 176.61 1th2 h HIS 465 N 0.28 0.00 0.00 5.60 6.17 -0.96 -3.37 115.15 122.87 1th2 h HIS 465 Ca 0.52 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.60 1th2 h HIS 465 Cb 1.53 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.46 1th2 h HIS 465 CO -0.00 0.00 0.26 -0.11 0.71 0.00 0.00 177.93 178.79 1th2 n LEU 466 N -4.30 0.32 0.00 0.26 7.94 0.78 -2.17 117.00 119.83 1th2 n LEU 466 Ca -0.05 0.55 0.05 0.00 -1.11 0.00 0.00 56.01 55.45 1th2 n LEU 466 Cb 0.18 -0.51 0.32 0.00 0.53 0.00 0.00 43.42 43.94 1th2 n LEU 466 CO 0.07 -0.66 0.53 2.29 -1.11 0.00 0.00 177.39 178.51 1th2 n LYS 467 N -1.99 0.40 -0.03 1.96 -0.00 0.72 -2.23 118.16 116.98 1th2 n LYS 467 Ca -0.01 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.36 1th2 n LYS 467 Cb 0.28 -1.42 0.07 0.00 -0.00 0.00 0.00 35.03 33.96 1th2 n LYS 467 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1th2 n ASP 468 N -0.92 2.16 -4.91 -5.58 8.00 -0.92 -4.86 116.55 109.51 1th2 n ASP 468 Ca 0.08 -1.58 -0.32 0.00 0.71 0.00 0.00 54.79 53.68 1th2 n ASP 468 Cb 0.04 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 1th2 n ASP 468 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th2 s ALA 469 N -0.99 3.94 0.06 2.24 0.00 -0.95 -4.72 121.76 121.34 1th2 s ALA 469 Ca 0.16 -0.74 -0.38 0.00 0.00 0.00 0.00 51.96 51.00 1th2 s ALA 469 Cb 0.10 -1.92 -0.18 0.00 0.00 0.00 0.00 23.12 21.12 1th2 s ALA 469 CO 0.15 0.76 1.16 1.04 0.00 0.00 0.00 175.76 178.87 1th2 n GLN 470 N 0.52 0.54 -0.33 0.00 6.02 -1.26 -4.47 117.38 118.39 1th2 n GLN 470 Ca -0.07 0.19 0.20 0.00 -0.01 0.00 0.00 57.00 57.31 1th2 n GLN 470 Cb 0.52 -1.72 0.38 0.00 1.02 0.00 0.00 30.24 30.43 1th2 n GLN 470 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1th2 h LEU 471 N 3.53 -0.19 -2.65 1.08 4.07 -1.96 1.74 115.31 120.93 1th2 h LEU 471 Ca -0.48 0.27 -0.00 0.00 0.08 0.00 0.00 57.88 57.74 1th2 h LEU 471 Cb 1.39 0.40 -0.00 0.00 1.08 0.00 0.00 40.66 43.53 1th2 h LEU 471 CO 0.70 -0.36 -0.00 2.19 -1.08 0.00 0.00 178.44 179.89 1th2 h PHE 472 N 0.03 0.00 0.00 1.13 -5.15 -2.01 -0.45 116.94 110.49 1th2 h PHE 472 Ca 0.67 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 58.39 1th2 h PHE 472 Cb 1.52 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.68 1th2 h PHE 472 CO -0.33 0.00 -0.30 0.82 -2.00 0.00 0.00 178.31 176.51 1th2 h ILE 473 N 0.00 1.34 -0.48 0.88 2.04 0.23 -3.30 117.51 118.22 1th2 h ILE 473 Ca -0.00 -2.12 0.10 0.00 1.00 0.00 0.00 64.86 63.84 1th2 h ILE 473 Cb 0.02 2.65 -0.10 0.00 -0.74 0.00 0.00 36.82 38.64 1th2 h ILE 473 CO 0.00 0.46 -0.23 1.56 0.00 0.00 0.00 178.15 179.94 1th2 h GLN 474 N -1.00 -0.12 -0.62 2.37 4.20 -0.62 -1.38 115.11 117.94 1th2 h GLN 474 Ca -0.08 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.71 1th2 h GLN 474 Cb 0.94 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.65 1th2 h GLN 474 CO -0.05 -0.08 -0.52 0.87 -0.67 0.00 0.00 178.83 178.38 1th2 h LYS 475 N -0.13 -0.23 -0.37 1.46 1.57 -1.25 0.43 116.57 118.05 1th2 h LYS 475 Ca 0.22 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.10 1th2 h LYS 475 Cb 0.47 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.76 1th2 h LYS 475 CO -0.56 -0.15 -0.12 0.87 -0.57 0.00 0.00 179.45 178.91 1th2 h LYS 476 N -0.24 -0.04 -0.11 3.15 1.57 -1.39 -0.08 116.57 119.43 1th2 h LYS 476 Ca 0.13 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1th2 h LYS 476 Cb 0.54 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 1th2 h LYS 476 CO -0.72 -0.03 -0.41 0.00 -0.57 0.00 0.00 179.45 177.73 1th2 h ALA 477 N 1.30 -0.57 -0.70 3.86 0.00 -0.00 -1.34 119.26 121.79 1th2 h ALA 477 Ca 0.18 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1th2 h ALA 477 Cb 0.32 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1th2 h ALA 477 CO -0.41 -0.91 0.35 0.28 0.00 0.00 0.00 179.25 178.56 1th2 h VAL 478 N -0.49 0.86 -0.63 0.00 2.07 -0.39 -1.76 116.25 115.91 1th2 h VAL 478 Ca 0.07 -0.21 0.11 0.00 0.82 0.00 0.00 66.70 67.50 1th2 h VAL 478 Cb 0.62 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 1th2 h VAL 478 CO -0.38 0.11 0.18 0.50 0.02 0.00 0.00 177.57 178.01 1th2 h LYS 479 N 0.60 0.32 -0.19 1.57 1.63 0.01 0.26 116.57 120.77 1th2 h LYS 479 Ca 0.34 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.99 1th2 h LYS 479 Cb 0.35 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1th2 h LYS 479 CO -0.26 0.21 -0.44 -0.91 -3.45 0.00 0.00 179.45 174.60 1th2 h ASN 480 N 0.33 0.49 -0.52 4.20 4.21 -0.51 -1.12 115.58 122.65 1th2 h ASN 480 Ca 0.33 -0.22 -0.10 0.00 1.21 0.00 0.00 56.30 57.52 1th2 h ASN 480 Cb 0.48 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.52 1th2 h ASN 480 CO -0.38 0.86 -0.08 -0.26 -1.29 0.00 0.00 177.43 176.29 1th2 h PHE 481 N 0.37 1.07 -0.26 1.19 0.05 -0.31 -2.45 116.94 116.60 1th2 h PHE 481 Ca 0.03 -0.21 -0.11 0.00 3.82 0.00 0.00 57.97 61.50 1th2 h PHE 481 Cb 0.92 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 38.59 1th2 h PHE 481 CO 0.03 1.00 -0.29 0.77 -0.18 0.00 0.00 178.31 179.65 1th2 h SER 482 N 0.83 0.53 0.03 2.17 0.02 -0.41 -0.10 113.55 116.62 1th2 h SER 482 Ca 0.14 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1th2 h SER 482 Cb 0.63 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1th2 h SER 482 CO 0.04 0.80 0.00 0.44 -1.14 0.00 0.00 176.83 176.97 1th2 h ASP 483 N 0.45 0.00 0.06 3.07 3.45 -0.76 0.42 116.42 123.10 1th2 h ASP 483 Ca 0.06 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.43 1th2 h ASP 483 Cb 0.73 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.51 1th2 h ASP 483 CO 0.06 0.00 -0.37 0.58 -1.57 0.00 0.00 179.24 177.93 1th2 h VAL 484 N 0.00 1.65 -0.90 -1.35 2.07 -0.61 -3.48 116.25 113.63 1th2 h VAL 484 Ca 0.00 -2.39 0.20 0.00 0.82 0.00 0.00 66.70 65.33 1th2 h VAL 484 Cb 0.02 3.25 -0.30 0.00 -1.52 0.00 0.00 31.29 32.74 1th2 h VAL 484 CO 0.00 0.65 0.57 -2.28 0.02 0.00 0.00 177.57 176.53 1th2 s HIS 485 N -2.41 -0.24 0.09 1.57 2.46 0.14 -4.64 115.29 112.26 1th2 s HIS 485 Ca -0.16 0.44 -0.13 0.00 0.47 0.00 0.00 55.06 55.68 1th2 s HIS 485 Cb -0.01 0.14 0.02 0.00 -0.13 0.00 0.00 32.58 32.60 1th2 s HIS 485 CO 0.76 -0.12 0.75 -2.30 -2.47 0.00 0.00 174.74 171.36 1th2 n PRO 486 N 3.79 -0.18 0.11 2.88 -0.01 -1.03 0.40 135.00 140.96 1th2 n PRO 486 Ca -0.14 0.74 0.01 0.00 -0.01 0.00 0.00 63.50 64.10 1th2 n PRO 486 Cb 0.56 -1.09 0.32 0.00 -0.01 0.00 0.00 33.50 33.28 1th2 n PRO 486 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1th2 h GLU 487 N 0.00 0.23 0.22 -0.52 4.81 -1.94 -0.53 114.58 116.85 1th2 h GLU 487 Ca 0.11 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1th2 h GLU 487 Cb 0.23 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1th2 h GLU 487 CO -0.47 0.47 -0.33 -0.92 -0.73 0.00 0.00 179.01 177.04 1th2 h TYR 488 N 0.21 -0.93 0.15 0.92 5.03 -0.33 1.55 116.97 123.57 1th2 h TYR 488 Ca 0.03 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 1th2 h TYR 488 Cb 0.56 0.38 0.00 0.00 1.55 0.00 0.00 36.73 39.22 1th2 h TYR 488 CO 0.01 -0.41 -0.07 0.78 -1.32 0.00 0.00 178.16 177.15 1th2 h GLY 489 N -0.57 -0.21 -0.33 1.82 0.00 -1.53 -1.44 103.07 100.81 1th2 h GLY 489 Ca -0.03 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.46 1th2 h GLY 489 CO -0.10 -0.08 -0.42 0.23 0.00 0.00 0.00 176.54 176.17 1th2 h SER 490 N -0.30 -1.42 -0.09 0.19 0.87 -0.92 0.58 113.55 112.45 1th2 h SER 490 Ca -0.02 0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.80 1th2 h SER 490 Cb 0.24 0.63 -0.06 0.00 -0.44 0.00 0.00 62.40 62.77 1th2 h SER 490 CO 0.03 -0.36 -0.37 -0.09 -0.53 0.00 0.00 176.83 175.52 1th2 h ARG 491 N -0.30 -0.45 -0.01 2.24 2.43 0.24 -0.88 114.38 117.65 1th2 h ARG 491 Ca 0.15 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1th2 h ARG 491 Cb 0.58 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1th2 h ARG 491 CO -0.60 -0.30 -0.12 0.82 -1.51 0.00 0.00 179.97 178.26 1th2 h ILE 492 N -0.47 0.00 -0.80 1.20 1.08 -0.12 -1.91 117.51 116.49 1th2 h ILE 492 Ca 0.08 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.82 1th2 h ILE 492 Cb 0.59 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.20 1th2 h ILE 492 CO -0.35 0.00 0.20 1.67 -0.69 0.00 0.00 178.15 178.98 1th2 n GLN 493 N -3.20 -0.06 0.26 2.37 -0.06 0.19 0.61 117.38 117.49 1th2 n GLN 493 Ca -0.02 1.16 -0.16 0.00 -2.00 0.00 0.00 57.00 55.98 1th2 n GLN 493 Cb 0.09 -1.95 -0.09 0.00 -4.06 0.00 0.00 30.24 24.23 1th2 n GLN 493 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1th2 h ALA 494 N 1.61 -1.11 -0.46 1.69 0.00 -0.35 -2.62 119.26 118.01 1th2 h ALA 494 Ca 0.57 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.41 1th2 h ALA 494 Cb 1.35 0.69 -0.09 0.00 0.00 0.00 0.00 17.79 19.74 1th2 h ALA 494 CO -0.70 -1.14 -0.19 -0.07 0.00 0.00 0.00 179.25 177.16 1th2 h LEU 495 N -0.89 -0.66 -0.90 0.00 3.38 0.43 -2.40 115.31 114.27 1th2 h LEU 495 Ca -0.06 0.16 0.18 0.00 0.09 0.00 0.00 57.88 58.25 1th2 h LEU 495 Cb 0.78 0.37 -0.17 0.00 0.09 0.00 0.00 40.66 41.73 1th2 h LEU 495 CO -0.06 -0.22 -0.24 0.18 0.09 0.00 0.00 178.44 178.19 1th2 n LEU 496 N -5.39 -0.35 -0.04 1.67 7.99 -0.36 -1.41 117.00 119.11 1th2 n LEU 496 Ca 0.03 1.55 -0.09 0.00 -0.01 0.00 0.00 56.01 57.49 1th2 n LEU 496 Cb 0.29 -0.46 -0.03 0.00 -0.11 0.00 0.00 43.42 43.12 1th2 n LEU 496 CO 0.09 -1.48 0.91 0.44 -1.51 0.00 0.00 177.39 175.85 1th2 h ASP 497 N 0.00 0.07 -0.70 -1.43 3.45 -1.23 -0.51 116.42 116.08 1th2 h ASP 497 Ca 0.42 0.02 0.12 0.00 0.43 0.00 0.00 57.03 58.02 1th2 h ASP 497 Cb 0.64 0.02 -0.08 0.00 -0.56 0.00 0.00 39.33 39.35 1th2 h ASP 497 CO -0.92 0.07 0.28 0.11 -1.57 0.00 0.00 179.24 177.20 1th2 h LYS 498 N 0.16 0.43 -0.44 3.56 1.57 -1.29 -0.86 116.57 119.71 1th2 h LYS 498 Ca 0.09 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1th2 h LYS 498 Cb 0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1th2 h LYS 498 CO -0.09 0.29 0.05 1.88 -0.57 0.00 0.00 179.45 181.00 1th2 h TYR 499 N 0.45 0.79 0.00 -1.35 0.05 -1.29 -1.69 116.97 113.93 1th2 h TYR 499 Ca 0.37 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 59.03 1th2 h TYR 499 Cb 0.50 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.03 1th2 h TYR 499 CO -0.16 0.76 0.00 0.09 -1.05 0.00 0.00 178.16 177.80 1th2 n ASN 500 N -4.45 0.00 0.00 3.88 3.02 -0.23 -5.13 115.26 112.34 1th2 n ASN 500 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1th2 n ASN 500 Cb 0.26 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1th2 n ASN 500 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85