#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 0.88 -0.77 3.52 1.74 -1.26 -5.12 116.66 115.66 1th2 n ARG 4 Ca 0.00 -2.93 -0.33 0.00 -0.77 0.00 0.00 57.85 53.83 1th2 n ARG 4 Cb 0.00 0.51 0.13 0.00 -1.02 0.00 0.00 32.46 32.08 1th2 n ARG 4 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1th2 n ASP 5 N -1.62 -1.68 0.08 0.55 5.75 -1.26 -4.75 116.55 113.62 1th2 n ASP 5 Ca -0.08 0.33 0.03 0.00 -0.01 0.00 0.00 54.79 55.05 1th2 n ASP 5 Cb 0.52 -1.25 0.40 0.00 -1.03 0.00 0.00 41.12 39.77 1th2 n ASP 5 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1th2 h PRO 6 N -1.65 0.35 0.54 0.11 0.11 -1.95 -2.07 132.00 127.44 1th2 h PRO 6 Ca -0.44 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1th2 h PRO 6 Cb 1.28 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1th2 h PRO 6 CO 0.36 0.37 -0.26 0.00 -0.21 0.00 0.00 178.00 178.26 1th2 h ALA 7 N 1.67 -0.73 -0.03 -0.75 0.00 -1.92 -2.83 119.26 114.67 1th2 h ALA 7 Ca 0.08 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1th2 h ALA 7 Cb 0.23 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1th2 h ALA 7 CO 0.00 -0.81 0.05 0.66 0.00 0.00 0.00 179.25 179.16 1th2 h SER 8 N -0.94 0.00 -0.58 0.00 4.64 -1.87 -1.59 113.55 113.22 1th2 h SER 8 Ca -0.07 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.94 1th2 h SER 8 Cb 0.63 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.54 1th2 h SER 8 CO 0.12 0.00 0.38 0.47 -0.87 0.00 0.00 176.83 176.93 1th2 n ASP 9 N -3.54 3.48 0.44 4.97 8.00 -0.80 -4.62 116.55 124.48 1th2 n ASP 9 Ca -0.02 -2.93 -0.17 0.00 0.71 0.00 0.00 54.79 52.37 1th2 n ASP 9 Cb 0.13 -0.70 -0.08 0.00 -0.02 0.00 0.00 41.12 40.45 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 0.59 -1.07 0.08 -1.24 -0.00 -1.32 -2.73 115.11 109.42 1th2 h GLN 10 Ca 0.37 0.07 0.01 0.00 -0.00 0.00 0.00 58.65 59.10 1th2 h GLN 10 Cb 2.07 0.24 -0.02 0.00 0.00 0.00 0.00 27.48 29.77 1th2 h GLN 10 CO 0.64 -0.71 -0.13 0.52 0.00 0.00 0.00 178.83 179.15 1th2 h MET 11 N -1.12 -0.26 0.00 1.69 2.86 -1.87 -2.60 114.93 113.64 1th2 h MET 11 Ca -0.11 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1th2 h MET 11 Cb 0.85 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.57 1th2 h MET 11 CO 0.19 -0.17 0.00 1.17 1.06 0.00 0.00 176.91 179.16 1th2 n LYS 12 N -5.26 0.00 -0.39 1.72 4.81 -1.23 -1.09 118.16 116.71 1th2 n LYS 12 Ca -0.07 0.59 0.36 0.00 -0.87 0.00 0.00 58.31 58.33 1th2 n LYS 12 Cb 0.18 -1.15 0.63 0.00 0.02 0.00 0.00 35.03 34.71 1th2 n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1th2 n HIS 13 N -1.53 0.95 -0.15 5.64 8.25 -1.03 0.33 115.22 127.68 1th2 n HIS 13 Ca 0.00 0.95 -0.09 0.00 -0.26 0.00 0.00 57.72 58.32 1th2 n HIS 13 Cb 0.00 -1.37 -0.00 0.00 1.12 0.00 0.00 29.99 29.73 1th2 n HIS 13 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 1th2 h TRP 14 N 0.00 0.70 -0.20 4.41 7.01 -0.69 -1.08 115.95 126.09 1th2 h TRP 14 Ca 0.87 -0.07 -0.09 0.00 2.11 0.00 0.00 58.89 61.71 1th2 h TRP 14 Cb 2.53 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 29.38 1th2 h TRP 14 CO -0.01 0.63 -0.25 -0.22 -2.79 0.00 0.00 178.44 175.81 1th2 h LYS 15 N 0.56 0.37 -0.04 2.65 3.64 0.12 -2.43 116.57 121.45 1th2 h LYS 15 Ca 0.14 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 1th2 h LYS 15 Cb 0.26 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1th2 h LYS 15 CO -0.00 0.60 -0.47 0.93 -2.27 0.00 0.00 179.45 178.23 1th2 h GLU 16 N 0.34 0.39 0.00 1.90 5.08 -1.24 -2.07 114.58 118.97 1th2 h GLU 16 Ca 0.05 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1th2 h GLU 16 Cb 0.62 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1th2 h GLU 16 CO 0.04 1.03 0.00 1.96 -1.00 0.00 0.00 179.01 181.04 1th2 h GLN 17 N -0.12 0.00 0.02 2.33 4.20 -1.11 -1.74 115.11 118.69 1th2 h GLN 17 Ca -0.05 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1th2 h GLN 17 Cb 1.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 1th2 h GLN 17 CO 0.10 0.00 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.15 1th2 h ARG 18 N 0.00 -0.03 0.00 1.46 9.65 -1.05 -3.50 114.38 120.91 1th2 h ARG 18 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1th2 h ARG 18 Cb 0.01 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1th2 h ARG 18 CO 0.00 -0.02 0.00 0.00 2.80 0.00 0.00 179.97 182.75 1th2 n ALA 19 N -2.11 0.00 0.29 2.80 0.00 -0.66 -4.03 120.51 116.81 1th2 n ALA 19 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.58 1th2 n ALA 19 Cb 0.01 0.00 0.88 0.00 0.00 0.00 0.00 19.45 20.34 1th2 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1th2 h ALA 20 N 0.00 1.42 -0.79 0.00 0.00 -1.91 -3.44 119.26 114.53 1th2 h ALA 20 Ca 0.00 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 54.28 1th2 h ALA 20 Cb 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 17.79 17.84 1th2 h ALA 20 CO 0.00 0.04 -0.07 0.94 0.00 0.00 0.00 179.25 180.16 1th2 n GLN 21 N -3.74 0.00 -2.68 0.00 7.27 -1.26 -4.85 117.38 112.12 1th2 n GLN 21 Ca -0.03 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.66 1th2 n GLN 21 Cb 0.13 -1.09 -0.06 0.00 2.41 0.00 0.00 30.24 31.63 1th2 n GLN 21 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1th2 s LYS 22 N -0.20 4.57 0.07 3.69 -0.14 -1.26 -4.97 119.74 121.51 1th2 s LYS 22 Ca 0.67 1.48 -0.33 0.00 -1.36 0.00 0.00 55.97 56.42 1th2 s LYS 22 Cb -0.94 -2.92 -0.13 0.00 -1.68 0.00 0.00 37.83 32.16 1th2 s LYS 22 CO 0.45 0.24 1.73 -2.30 -0.76 0.00 0.00 175.35 174.71 1th2 n PRO 23 N 0.75 2.29 -1.00 -1.68 -0.02 -1.26 -4.92 135.00 129.15 1th2 n PRO 23 Ca 0.01 0.83 -0.35 0.00 -2.02 0.00 0.00 63.50 61.97 1th2 n PRO 23 Cb 0.48 -2.65 0.07 0.00 -0.02 0.00 0.00 33.50 31.39 1th2 n PRO 23 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1th2 n ASP 24 N 4.88 -3.27 -4.72 2.55 8.00 -1.26 -4.86 116.55 117.86 1th2 n ASP 24 Ca 0.19 0.37 -0.41 0.00 0.71 0.00 0.00 54.79 55.64 1th2 n ASP 24 Cb 0.31 -1.04 -0.04 0.00 -0.02 0.00 0.00 41.12 40.33 1th2 n ASP 24 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1th2 s VAL 25 N -2.13 4.57 -0.47 2.53 1.01 -1.26 -4.96 120.40 119.69 1th2 s VAL 25 Ca 0.53 2.03 -0.28 0.00 0.00 0.00 0.00 61.98 64.27 1th2 s VAL 25 Cb -0.26 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 1th2 s VAL 25 CO 0.70 0.26 1.67 -0.22 0.00 0.00 0.00 175.10 177.51 1th2 s LEU 26 N 0.32 3.44 0.40 3.92 0.20 -1.26 -4.98 118.68 120.72 1th2 s LEU 26 Ca 0.49 0.75 0.08 0.00 0.69 0.00 0.00 54.13 56.14 1th2 s LEU 26 Cb -0.23 -3.16 -0.01 0.00 -0.43 0.00 0.00 46.19 42.36 1th2 s LEU 26 CO 0.29 -1.84 0.46 0.42 -0.29 0.00 0.00 176.35 175.40 1th2 s THR 27 N 7.04 3.00 0.70 3.68 -4.23 -1.26 -1.27 115.64 123.30 1th2 s THR 27 Ca 0.67 -1.17 -0.06 0.00 -1.18 0.00 0.00 61.69 59.95 1th2 s THR 27 Cb -0.16 -3.05 0.07 0.00 1.34 0.00 0.00 72.50 70.70 1th2 s THR 27 CO 0.28 -0.03 1.01 0.42 -0.54 0.00 0.00 174.62 175.76 1th2 s THR 28 N -2.38 2.28 0.49 3.99 -4.23 0.64 -4.83 115.64 111.60 1th2 s THR 28 Ca 0.50 -0.30 0.23 0.00 -1.18 0.00 0.00 61.69 60.94 1th2 s THR 28 Cb -0.07 -2.98 0.41 0.00 1.34 0.00 0.00 72.50 71.20 1th2 s THR 28 CO 0.30 0.00 1.93 1.23 -0.54 0.00 0.00 174.62 177.54 1th2 h GLY 29 N -0.59 0.31 2.00 3.99 0.00 -1.91 0.34 103.07 107.21 1th2 h GLY 29 Ca -0.44 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1th2 h GLY 29 CO 0.58 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.74 1th2 n GLY 30 N -1.61 -1.46 0.00 4.60 0.00 -1.26 -4.93 105.19 100.53 1th2 n GLY 30 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.22 2.35 3.74 -0.02 0.00 0.12 -5.06 105.19 107.54 1th2 n GLY 31 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.40 6.48 0.84 1.61 0.02 -1.26 -4.46 114.94 116.77 1th2 s ASN 32 Ca 0.00 2.82 -0.11 0.00 -1.02 0.00 0.00 52.86 54.56 1th2 s ASN 32 Cb 0.00 -2.62 0.10 0.00 0.02 0.00 0.00 41.25 38.75 1th2 s ASN 32 CO 0.00 -0.85 1.11 -2.84 0.02 0.00 0.00 177.10 174.53 1th2 s PRO 33 N -0.08 1.67 -0.20 -0.60 0.02 -1.26 -0.26 135.00 134.28 1th2 s PRO 33 Ca 0.64 1.23 0.01 0.00 0.02 0.00 0.00 61.00 62.91 1th2 s PRO 33 Cb -0.46 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.28 1th2 s PRO 33 CO 0.43 -2.08 -0.12 0.14 -0.33 0.00 0.00 177.00 175.04 1th2 s VAL 34 N -2.82 1.75 -0.07 3.83 -7.23 -0.40 -4.78 120.40 110.69 1th2 s VAL 34 Ca 0.63 -1.03 0.31 0.00 -1.81 0.00 0.00 61.98 60.08 1th2 s VAL 34 Cb -0.19 -1.78 0.36 0.00 0.56 0.00 0.00 36.38 35.33 1th2 s VAL 34 CO 0.57 0.23 1.90 1.23 -0.31 0.00 0.00 175.10 178.71 1th2 h GLY 35 N 7.95 0.00 -6.00 2.32 0.00 -1.96 -3.42 103.07 101.97 1th2 h GLY 35 Ca -0.30 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.18 1th2 h GLY 35 CO 0.50 0.00 -0.11 -0.35 0.00 0.00 0.00 176.54 176.59 1th2 s ASP 36 N -5.48 -1.00 -0.35 0.19 2.15 -1.26 -5.05 116.67 105.88 1th2 s ASP 36 Ca 0.02 0.61 0.07 0.00 0.43 0.00 0.00 52.55 53.69 1th2 s ASP 36 Cb 0.09 1.84 0.53 0.00 -0.30 0.00 0.00 42.92 45.08 1th2 s ASP 36 CO 0.53 -0.19 1.57 1.17 -0.17 0.00 0.00 175.17 178.09 1th2 n LYS 37 N 5.44 2.05 0.00 4.34 4.81 -1.26 -4.51 118.16 129.03 1th2 n LYS 37 Ca -0.03 -3.22 0.00 0.00 -0.87 0.00 0.00 58.31 54.19 1th2 n LYS 37 Cb 0.52 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.63 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 -1.10 0.00 -4.12 3.14 4.77 -1.26 -5.02 117.00 113.40 1th2 n LEU 38 Ca 0.41 -0.19 -0.26 0.00 -0.03 0.00 0.00 56.01 55.93 1th2 n LEU 38 Cb 1.14 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 42.07 1th2 n LEU 38 CO 0.32 0.00 -0.50 0.20 -1.33 0.00 0.00 177.39 176.08 1th2 s ASN 39 N -1.49 2.16 0.21 -1.43 0.01 -1.26 -5.13 114.94 108.01 1th2 s ASN 39 Ca 0.00 -0.36 -0.26 0.00 -0.71 0.00 0.00 52.86 51.53 1th2 s ASN 39 Cb 0.00 -0.68 -0.09 0.00 0.41 0.00 0.00 41.25 40.90 1th2 s ASN 39 CO 0.00 0.14 0.84 -0.44 -1.51 0.00 0.00 177.10 176.12 1th2 s SER 40 N 0.14 7.43 -0.16 -1.22 0.01 -1.26 -4.98 113.70 113.66 1th2 s SER 40 Ca -0.06 1.73 -0.29 0.00 1.31 0.00 0.00 55.95 58.65 1th2 s SER 40 Cb -0.12 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 1th2 s SER 40 CO 0.03 0.15 1.97 -0.22 0.41 0.00 0.00 173.24 175.57 1th2 s LEU 41 N -1.34 3.81 0.11 2.44 2.96 -1.26 -4.95 118.68 120.45 1th2 s LEU 41 Ca 0.40 1.97 0.04 0.00 -0.22 0.00 0.00 54.13 56.31 1th2 s LEU 41 Cb -0.23 -3.52 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1th2 s LEU 41 CO 0.27 -1.54 -0.10 0.42 -1.32 0.00 0.00 176.35 174.08 1th2 s THR 42 N 6.45 1.03 -0.82 3.68 -4.23 -1.26 -1.69 115.64 118.80 1th2 s THR 42 Ca 0.88 -1.76 -0.19 0.00 -1.18 0.00 0.00 61.69 59.44 1th2 s THR 42 Cb -0.32 -1.51 0.12 0.00 1.34 0.00 0.00 72.50 72.13 1th2 s THR 42 CO 0.35 -0.60 1.01 0.54 -0.54 0.00 0.00 174.62 175.39 1th2 s VAL 43 N -2.66 4.71 0.00 2.29 0.11 -0.84 -4.83 120.40 119.19 1th2 s VAL 43 Ca 0.09 -1.29 0.00 0.00 -2.93 0.00 0.00 61.98 57.85 1th2 s VAL 43 Cb -0.02 -4.70 0.00 0.00 -1.53 0.00 0.00 36.38 30.13 1th2 s VAL 43 CO 0.00 -1.42 0.00 0.61 -3.33 0.00 0.00 175.10 170.97 1th2 n GLY 44 N 5.33 1.80 0.00 6.54 0.00 -1.26 -3.29 105.19 114.31 1th2 n GLY 44 Ca 0.13 -1.81 0.10 0.00 0.00 0.00 0.00 46.02 44.43 1th2 n GLY 44 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1th2 n PRO 45 N 1.66 0.57 -1.23 1.61 -0.04 -1.26 -2.61 135.00 133.71 1th2 n PRO 45 Ca 0.00 0.01 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1th2 n PRO 45 Cb 0.00 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.96 1th2 n PRO 45 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1th2 n ARG 46 N -1.02 0.00 -3.64 0.54 1.74 -1.26 -5.11 116.66 107.90 1th2 n ARG 46 Ca 0.14 -1.58 -0.25 0.00 -0.77 0.00 0.00 57.85 55.40 1th2 n ARG 46 Cb 0.07 0.05 0.02 0.00 -1.02 0.00 0.00 32.46 31.57 1th2 n ARG 46 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1th2 s GLY 47 N -1.58 2.19 0.82 -0.13 0.00 -1.07 -5.06 107.32 102.48 1th2 s GLY 47 Ca 0.21 -1.49 -0.13 0.00 0.00 0.00 0.00 44.72 43.31 1th2 s GLY 47 CO -0.11 -1.88 1.20 -4.14 0.00 0.00 0.00 173.10 168.18 1th2 s PRO 48 N -4.41 1.57 0.11 2.90 0.02 -1.26 -4.44 135.00 129.50 1th2 s PRO 48 Ca 0.42 1.74 -0.27 0.00 0.02 0.00 0.00 61.00 62.91 1th2 s PRO 48 Cb -0.03 -1.77 -0.06 0.00 0.02 0.00 0.00 34.50 32.65 1th2 s PRO 48 CO 0.26 -2.26 0.84 -1.17 -0.33 0.00 0.00 177.00 174.35 1th2 s LEU 49 N -5.79 4.52 -0.06 -5.54 2.96 -1.26 -1.99 118.68 111.52 1th2 s LEU 49 Ca 0.73 1.65 -0.13 0.00 -0.22 0.00 0.00 54.13 56.15 1th2 s LEU 49 Cb -0.28 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 1th2 s LEU 49 CO 0.51 0.05 0.34 -0.76 -1.32 0.00 0.00 176.35 175.17 1th2 s LEU 50 N -0.40 4.41 0.44 -0.68 1.43 -0.68 -4.94 118.68 118.26 1th2 s LEU 50 Ca 0.41 0.78 0.18 0.00 -1.03 0.00 0.00 54.13 54.47 1th2 s LEU 50 Cb -0.22 -2.45 1.12 0.00 0.03 0.00 0.00 46.19 44.66 1th2 s LEU 50 CO 0.27 0.29 1.90 0.58 0.23 0.00 0.00 176.35 179.61 1th2 h VAL 51 N 3.97 0.73 -0.38 -1.59 2.07 -1.96 0.30 116.25 119.39 1th2 h VAL 51 Ca -0.50 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.01 1th2 h VAL 51 Cb 1.21 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1th2 h VAL 51 CO 0.64 0.07 0.38 -0.61 0.02 0.00 0.00 177.57 178.07 1th2 h GLN 52 N 0.36 0.00 -5.83 1.57 4.15 -1.95 -3.37 115.11 110.03 1th2 h GLN 52 Ca 0.41 0.00 -0.39 0.00 0.77 0.00 0.00 58.65 59.44 1th2 h GLN 52 Cb 1.05 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.68 1th2 h GLN 52 CO -0.13 0.00 0.97 0.34 -1.93 0.00 0.00 178.83 178.08 1th2 s ASP 53 N -5.51 5.56 0.00 -0.69 -1.08 0.09 -4.72 116.67 110.32 1th2 s ASP 53 Ca -0.04 -0.92 0.28 0.00 -0.52 0.00 0.00 52.55 51.35 1th2 s ASP 53 Cb 0.16 -2.56 1.04 0.00 -1.46 0.00 0.00 42.92 40.10 1th2 s ASP 53 CO 0.57 -2.37 1.78 1.33 0.52 0.00 0.00 175.17 177.00 1th2 n VAL 54 N 7.58 0.00 -0.05 1.11 0.24 -1.26 -2.96 118.33 122.99 1th2 n VAL 54 Ca 0.38 -0.01 -0.14 0.00 -2.04 0.00 0.00 64.34 62.53 1th2 n VAL 54 Cb 0.48 -0.22 -0.07 0.00 -1.47 0.00 0.00 33.84 32.55 1th2 n VAL 54 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1th2 h VAL 55 N 0.09 1.36 0.41 3.34 2.07 -1.95 0.96 116.25 122.52 1th2 h VAL 55 Ca 0.00 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 1th2 h VAL 55 Cb 0.47 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1th2 h VAL 55 CO 0.00 0.44 -0.20 0.15 0.02 0.00 0.00 177.57 177.98 1th2 h PHE 56 N 0.03 -0.51 -0.90 1.57 3.57 -1.95 -1.36 116.94 117.40 1th2 h PHE 56 Ca 0.01 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.68 1th2 h PHE 56 Cb 0.82 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.66 1th2 h PHE 56 CO 0.10 -0.31 0.59 1.15 -2.23 0.00 0.00 178.31 177.60 1th2 h THR 57 N -0.58 0.73 0.67 4.41 2.02 -1.62 0.37 112.91 118.91 1th2 h THR 57 Ca -0.06 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1th2 h THR 57 Cb 0.42 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1th2 h THR 57 CO 0.09 0.09 -0.32 -0.78 0.37 0.00 0.00 175.52 174.97 1th2 h ASP 58 N 0.52 -0.77 0.50 4.18 3.58 -0.71 -1.67 116.42 122.06 1th2 h ASP 58 Ca 0.47 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.89 1th2 h ASP 58 Cb 1.00 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 42.24 1th2 h ASP 58 CO -0.20 -0.45 -0.33 -0.08 -2.88 0.00 0.00 179.24 175.30 1th2 h GLU 59 N -1.07 -0.76 -0.54 0.28 4.81 -0.13 -3.04 114.58 114.13 1th2 h GLU 59 Ca -0.09 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1th2 h GLU 59 Cb 0.73 0.17 -0.09 0.00 0.63 0.00 0.00 28.75 30.19 1th2 h GLU 59 CO 0.15 -0.50 -0.55 1.98 -0.73 0.00 0.00 179.01 179.35 1th2 h MET 60 N -0.78 -0.28 -1.40 1.92 4.05 -0.42 0.82 114.93 118.82 1th2 h MET 60 Ca -0.07 0.02 0.41 0.00 -0.28 0.00 0.00 59.70 59.78 1th2 h MET 60 Cb 0.64 0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 31.44 1th2 h MET 60 CO 0.05 -0.19 1.00 0.00 0.23 0.00 0.00 176.91 178.01 1th2 h ALA 61 N 0.05 3.27 0.07 0.39 0.00 -1.31 0.69 119.26 122.42 1th2 h ALA 61 Ca 0.09 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 1th2 h ALA 61 Cb 0.54 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1th2 h ALA 61 CO -0.66 -1.69 -1.13 1.25 0.00 0.00 0.00 179.25 177.02 1th2 h HIS 62 N 0.02 0.26 -0.25 0.00 6.17 -0.73 -3.16 115.15 117.46 1th2 h HIS 62 Ca 0.68 -0.19 -0.06 0.00 0.71 0.00 0.00 60.37 61.51 1th2 h HIS 62 Cb 2.66 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 32.56 1th2 h HIS 62 CO -0.00 1.15 -0.10 0.35 0.71 0.00 0.00 177.93 180.04 1th2 h PHE 63 N 0.04 0.43 0.00 5.26 3.57 0.75 -2.45 116.94 124.54 1th2 h PHE 63 Ca -0.08 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.37 1th2 h PHE 63 Cb 1.88 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.50 1th2 h PHE 63 CO 0.03 0.50 0.00 -0.44 -2.23 0.00 0.00 178.31 176.18 1th2 h ASP 64 N 0.38 0.00 -0.15 0.41 5.19 -1.26 -2.77 116.42 118.23 1th2 h ASP 64 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1th2 h ASP 64 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1th2 h ASP 64 CO 0.02 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 176.68 1th2 n ARG 65 N -2.91 2.64 -0.09 3.56 1.74 -0.95 -4.73 116.66 115.93 1th2 n ARG 65 Ca -0.01 -1.67 0.23 0.00 -0.77 0.00 0.00 57.85 55.63 1th2 n ARG 65 Cb 0.20 -1.12 0.67 0.00 -1.02 0.00 0.00 32.46 31.19 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 0.96 0.06 -5.70 5.56 5.08 -1.19 -3.42 114.58 115.93 1th2 h GLU 66 Ca 0.00 -0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 1th2 h GLU 66 Cb 0.57 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 1th2 h GLU 66 CO 0.00 0.04 -0.26 1.03 -1.00 0.00 0.00 179.01 178.82 1th2 s ARG 67 N -5.07 4.13 0.25 2.33 1.81 -1.26 -5.09 118.95 116.05 1th2 s ARG 67 Ca -0.05 0.25 0.09 0.00 -1.72 0.00 0.00 55.73 54.30 1th2 s ARG 67 Cb 0.21 -3.36 -0.04 0.00 -0.45 0.00 0.00 34.95 31.31 1th2 s ARG 67 CO 0.75 0.38 -0.01 0.96 -0.68 0.00 0.00 175.30 176.70 1th2 s ILE 68 N -0.01 3.45 0.35 1.52 -4.36 -1.26 -5.08 121.20 115.80 1th2 s ILE 68 Ca 0.21 -1.83 -0.29 0.00 -0.26 0.00 0.00 60.65 58.48 1th2 s ILE 68 Cb -0.14 -2.82 -0.11 0.00 1.25 0.00 0.00 42.46 40.64 1th2 s ILE 68 CO 0.08 -0.31 1.49 -2.84 0.24 0.00 0.00 174.94 173.60 1th2 s PRO 69 N -3.49 4.14 0.75 0.37 0.02 -1.26 -4.97 135.00 130.56 1th2 s PRO 69 Ca 0.30 2.53 -0.11 0.00 0.02 0.00 0.00 61.00 63.74 1th2 s PRO 69 Cb -0.07 -3.00 0.04 0.00 0.02 0.00 0.00 34.50 31.49 1th2 s PRO 69 CO 0.19 -0.52 1.08 -1.83 -0.33 0.00 0.00 177.00 175.59 1th2 s GLU 70 N -1.62 2.48 0.43 5.54 -1.05 -1.26 -4.90 118.70 118.31 1th2 s GLU 70 Ca 0.55 0.89 -0.26 0.00 -0.15 0.00 0.00 54.97 56.01 1th2 s GLU 70 Cb -0.46 -1.94 -0.09 0.00 -0.44 0.00 0.00 34.13 31.20 1th2 s GLU 70 CO 0.58 -1.41 1.38 0.54 0.95 0.00 0.00 175.26 177.30 1th2 n ARG 71 N -3.33 2.18 0.29 -4.83 1.74 -1.26 -4.87 116.66 106.58 1th2 n ARG 71 Ca 0.08 0.77 0.16 0.00 -0.77 0.00 0.00 57.85 58.09 1th2 n ARG 71 Cb 0.54 -2.55 0.87 0.00 -1.02 0.00 0.00 32.46 30.30 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 2.29 0.36 -3.24 1.55 3.04 -1.99 -3.37 116.25 114.88 1th2 h VAL 72 Ca -0.50 -0.33 -0.11 0.00 -1.01 0.00 0.00 66.70 64.76 1th2 h VAL 72 Cb 1.28 1.23 -0.19 0.00 -2.01 0.00 0.00 31.29 31.60 1th2 h VAL 72 CO 0.61 0.06 -0.31 0.68 -1.01 0.00 0.00 177.57 177.60 1th2 s VAL 73 N -4.18 0.08 -1.30 1.51 -7.23 -1.26 -4.87 120.40 103.14 1th2 s VAL 73 Ca -0.03 -0.62 -0.04 0.00 -1.81 0.00 0.00 61.98 59.48 1th2 s VAL 73 Cb 0.13 -0.74 0.00 0.00 0.56 0.00 0.00 36.38 36.33 1th2 s VAL 73 CO 0.53 -0.34 0.47 1.41 -0.31 0.00 0.00 175.10 176.86 1th2 n HIS 74 N 0.99 -1.56 -0.10 2.82 -0.00 -0.12 -4.91 115.22 112.35 1th2 n HIS 74 Ca -0.20 0.40 -0.00 0.00 -0.00 0.00 0.00 57.72 57.91 1th2 n HIS 74 Cb 0.57 -3.86 0.27 0.00 -0.00 0.00 0.00 29.99 26.97 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 0.83 1.39 -2.61 -1.41 0.00 -1.73 -3.42 119.26 112.31 1th2 h ALA 75 Ca -0.44 -0.14 -0.60 0.00 0.00 0.00 0.00 54.91 53.73 1th2 h ALA 75 Cb 1.30 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 1th2 h ALA 75 CO 0.47 0.46 0.04 0.21 0.00 0.00 0.00 179.25 180.43 1th2 s LYS 76 N -5.35 4.16 0.07 0.00 2.47 -1.25 -4.60 119.74 115.24 1th2 s LYS 76 Ca -0.09 0.47 -0.27 0.00 -1.56 0.00 0.00 55.97 54.52 1th2 s LYS 76 Cb 0.16 -3.60 0.09 0.00 -1.46 0.00 0.00 37.83 33.03 1th2 s LYS 76 CO 0.78 -0.26 1.16 0.20 0.16 0.00 0.00 175.35 177.38 1th2 s GLY 77 N 1.30 -0.16 0.05 5.54 0.00 -1.26 -1.92 107.32 110.87 1th2 s GLY 77 Ca 0.25 0.14 0.02 0.00 0.00 0.00 0.00 44.72 45.13 1th2 s GLY 77 CO 0.09 2.03 -0.07 0.00 0.00 0.00 0.00 173.10 175.16 1th2 s ALA 78 N -2.42 0.57 0.14 3.20 0.00 -0.47 -4.97 121.76 117.80 1th2 s ALA 78 Ca 0.20 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.39 1th2 s ALA 78 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1th2 s ALA 78 CO 0.01 -0.06 -0.10 0.20 0.00 0.00 0.00 175.76 175.81 1th2 s GLY 79 N -1.72 1.02 0.15 0.00 0.00 -1.26 -0.54 107.32 104.97 1th2 s GLY 79 Ca -0.08 -1.45 -0.08 0.00 0.00 0.00 0.00 44.72 43.11 1th2 s GLY 79 CO -0.00 -1.55 0.24 0.00 0.00 0.00 0.00 173.10 171.79 1th2 s ALA 80 N -3.29 0.12 -0.05 3.20 0.00 -0.10 -4.33 121.76 117.31 1th2 s ALA 80 Ca 0.15 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.19 1th2 s ALA 80 Cb 0.02 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 23.97 1th2 s ALA 80 CO -0.00 -0.61 -0.16 -0.06 0.00 0.00 0.00 175.76 174.93 1th2 s PHE 81 N -3.97 1.62 0.00 0.00 0.08 0.69 -1.09 117.98 115.31 1th2 s PHE 81 Ca 0.17 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.74 1th2 s PHE 81 Cb 0.04 -1.11 0.00 0.00 -0.57 0.00 0.00 43.02 41.38 1th2 s PHE 81 CO -0.01 -0.18 0.00 0.41 -0.10 0.00 0.00 175.22 175.34 1th2 n GLY 82 N 3.26 3.77 3.69 4.36 0.00 -0.62 0.16 105.19 119.81 1th2 n GLY 82 Ca -0.19 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 1.60 0.26 -0.09 1.61 -0.85 0.56 -2.01 117.35 118.42 1th2 s TYR 83 Ca 0.00 -0.69 0.01 0.00 -0.52 0.00 0.00 57.07 55.87 1th2 s TYR 83 Cb 0.00 0.42 0.02 0.00 0.38 0.00 0.00 41.96 42.78 1th2 s TYR 83 CO 0.00 -1.19 -0.11 0.12 -1.52 0.00 0.00 175.55 172.85 1th2 s PHE 84 N -3.54 1.56 -0.15 -3.49 5.36 -0.10 -1.06 117.98 116.56 1th2 s PHE 84 Ca 0.19 -0.68 0.01 0.00 -0.96 0.00 0.00 56.93 55.48 1th2 s PHE 84 Cb -0.03 -1.19 -0.00 0.00 -0.34 0.00 0.00 43.02 41.46 1th2 s PHE 84 CO 0.10 -0.40 -0.16 -2.00 -1.46 0.00 0.00 175.22 171.31 1th2 s GLU 85 N 1.08 3.20 -0.04 10.12 2.12 0.50 0.12 118.70 135.80 1th2 s GLU 85 Ca -0.06 -0.76 -0.30 0.00 0.36 0.00 0.00 54.97 54.20 1th2 s GLU 85 Cb -0.14 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.62 1th2 s GLU 85 CO -0.01 0.03 1.23 0.08 -0.54 0.00 0.00 175.26 176.05 1th2 s VAL 86 N 0.77 4.16 -0.58 3.70 1.01 -1.07 0.43 120.40 128.82 1th2 s VAL 86 Ca -0.06 1.49 0.07 0.00 0.00 0.00 0.00 61.98 63.48 1th2 s VAL 86 Cb -0.15 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 1th2 s VAL 86 CO 0.00 0.00 0.48 0.35 0.00 0.00 0.00 175.10 175.94 1th2 n THR 87 N 4.60 0.00 -4.08 3.92 -2.24 -0.94 0.82 114.28 116.37 1th2 n THR 87 Ca 0.11 -0.42 -0.10 0.00 -2.27 0.00 0.00 64.05 61.37 1th2 n THR 87 Cb 0.46 1.07 -0.08 0.00 -2.10 0.00 0.00 70.33 69.68 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 -1.12 0.72 -0.45 4.78 3.76 -0.73 -4.95 115.29 117.31 1th2 s HIS 88 Ca 0.05 -1.04 -0.13 0.00 -0.15 0.00 0.00 55.06 53.80 1th2 s HIS 88 Cb 0.05 -0.24 0.07 0.00 1.11 0.00 0.00 32.58 33.57 1th2 s HIS 88 CO 0.18 -0.72 0.33 0.34 -0.85 0.00 0.00 174.74 174.02 1th2 s ASP 89 N -3.06 5.92 0.00 1.40 -1.08 -1.26 -4.32 116.67 114.28 1th2 s ASP 89 Ca 0.27 -1.38 0.13 0.00 -0.52 0.00 0.00 52.55 51.05 1th2 s ASP 89 Cb 0.04 -2.10 -0.08 0.00 -1.46 0.00 0.00 42.92 39.33 1th2 s ASP 89 CO 0.06 -0.59 0.64 2.30 0.52 0.00 0.00 175.17 178.11 1th2 n ILE 90 N 5.08 0.00 -0.00 4.11 -5.35 -1.26 -4.62 119.36 117.31 1th2 n ILE 90 Ca -0.11 -0.27 0.18 0.00 -0.27 0.00 0.00 62.75 62.27 1th2 n ILE 90 Cb 0.43 1.07 0.30 0.00 -1.74 0.00 0.00 39.64 39.71 1th2 n ILE 90 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1th2 h THR 91 N 0.68 0.01 0.00 7.28 1.35 -1.79 0.46 112.91 120.90 1th2 h THR 91 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1th2 h THR 91 Cb 0.38 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.83 1th2 h THR 91 CO 0.00 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.16 1th2 n ARG 92 N -2.99 0.40 0.03 4.72 1.85 -1.26 -3.51 116.66 115.89 1th2 n ARG 92 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 1th2 n ARG 92 Cb 1.29 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 31.24 1th2 n ARG 92 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1th2 n TYR 93 N -0.96 -0.27 -5.23 2.89 4.01 0.16 -4.91 117.16 112.85 1th2 n TYR 93 Ca 0.09 0.05 -0.31 0.00 -0.16 0.00 0.00 57.90 57.56 1th2 n TYR 93 Cb 0.04 0.15 -0.16 0.00 -0.31 0.00 0.00 39.34 39.06 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 -5.27 3.20 -0.06 7.72 0.15 -1.22 -1.30 113.70 116.93 1th2 s SER 94 Ca 0.00 -0.43 0.18 0.00 0.70 0.00 0.00 55.95 56.40 1th2 s SER 94 Cb 0.00 -0.41 0.63 0.00 -1.71 0.00 0.00 66.02 64.52 1th2 s SER 94 CO 0.00 0.32 1.52 2.29 1.20 0.00 0.00 173.24 178.58 1th2 n LYS 95 N 2.40 3.10 -1.68 5.44 2.85 0.36 -4.06 118.16 126.56 1th2 n LYS 95 Ca -0.16 -2.50 -0.47 0.00 -1.05 0.00 0.00 58.31 54.12 1th2 n LYS 95 Cb 0.51 -1.71 -0.04 0.00 -0.65 0.00 0.00 35.03 33.14 1th2 n LYS 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1th2 n ALA 96 N 1.18 1.02 0.00 0.58 0.00 -1.25 -4.76 120.51 117.28 1th2 n ALA 96 Ca 0.23 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1th2 n ALA 96 Cb 0.71 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1th2 n ALA 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1th2 n LYS 97 N 6.64 0.00 0.00 0.00 5.02 -1.26 0.69 118.16 129.24 1th2 n LYS 97 Ca 0.22 0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.66 1th2 n LYS 97 Cb 0.31 -1.51 0.24 0.00 -0.02 0.00 0.00 35.03 34.05 1th2 n LYS 97 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1th2 n VAL 98 N -0.89 0.00 -0.01 -0.18 3.14 -1.26 -3.57 118.33 115.56 1th2 n VAL 98 Ca 0.00 -0.01 0.01 0.00 -2.96 0.00 0.00 64.34 61.38 1th2 n VAL 98 Cb 0.01 0.31 0.02 0.00 -1.06 0.00 0.00 33.84 33.12 1th2 n VAL 98 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1th2 n PHE 99 N -1.43 0.05 -0.34 1.45 3.72 0.22 -4.83 117.46 116.30 1th2 n PHE 99 Ca 0.06 -0.41 0.08 0.00 -0.05 0.00 0.00 57.45 57.13 1th2 n PHE 99 Cb 0.34 -0.04 0.18 0.00 -0.94 0.00 0.00 39.48 39.02 1th2 n PHE 99 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1th2 n GLU 100 N -0.29 -0.08 -3.58 -1.08 1.02 -1.17 -4.52 120.64 110.94 1th2 n GLU 100 Ca 0.01 1.47 -0.14 0.00 -0.02 0.00 0.00 57.16 58.48 1th2 n GLU 100 Cb 0.23 -2.24 -0.06 0.00 -0.02 0.00 0.00 31.44 29.35 1th2 n GLU 100 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1th2 s HIS 101 N -6.12 -0.59 0.17 -0.32 -3.43 -1.26 -4.96 115.29 98.77 1th2 s HIS 101 Ca -0.14 1.22 -0.33 0.00 -0.80 0.00 0.00 55.06 55.00 1th2 s HIS 101 Cb 0.26 0.38 -0.15 0.00 -1.43 0.00 0.00 32.58 31.64 1th2 s HIS 101 CO 0.74 -0.43 1.33 -0.89 -2.00 0.00 0.00 174.74 173.50 1th2 n ILE 102 N 1.53 0.55 0.00 -5.38 -0.00 -1.26 -1.28 119.36 113.52 1th2 n ILE 102 Ca -0.15 -0.14 0.00 0.00 -0.00 0.00 0.00 62.75 62.47 1th2 n ILE 102 Cb 0.57 -1.11 0.00 0.00 -0.00 0.00 0.00 39.64 39.09 1th2 n ILE 102 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1th2 n GLY 103 N 2.40 2.31 3.61 7.39 0.00 0.24 -4.97 105.19 116.18 1th2 n GLY 103 Ca 0.15 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.40 -0.02 1.61 2.20 -0.41 -4.63 119.74 121.90 1th2 s LYS 104 Ca 0.00 1.92 -0.14 0.00 -0.36 0.00 0.00 55.97 57.39 1th2 s LYS 104 Cb 0.00 -4.26 -0.05 0.00 -1.51 0.00 0.00 37.83 32.01 1th2 s LYS 104 CO 0.00 -1.79 0.38 1.03 -0.36 0.00 0.00 175.35 174.61 1th2 s ARG 105 N 5.72 3.88 -0.16 4.03 0.52 -1.26 -2.60 118.95 129.08 1th2 s ARG 105 Ca 0.90 0.35 -0.00 0.00 -0.52 0.00 0.00 55.73 56.46 1th2 s ARG 105 Cb -0.31 -3.23 0.04 0.00 0.52 0.00 0.00 34.95 31.97 1th2 s ARG 105 CO 0.35 0.68 -0.08 0.99 0.02 0.00 0.00 175.30 177.27 1th2 s THR 106 N -1.01 1.23 0.23 0.02 2.01 0.12 -4.94 115.64 113.30 1th2 s THR 106 Ca 0.23 -0.62 -0.31 0.00 0.31 0.00 0.00 61.69 61.29 1th2 s THR 106 Cb -0.16 -1.33 -0.14 0.00 0.01 0.00 0.00 72.50 70.88 1th2 s THR 106 CO 0.12 0.22 1.35 -0.81 -0.69 0.00 0.00 174.62 174.81 1th2 n PRO 107 N 4.85 1.84 -4.26 4.92 -0.04 -1.26 -0.93 135.00 140.12 1th2 n PRO 107 Ca -0.13 0.66 -0.17 0.00 -0.04 0.00 0.00 63.50 63.82 1th2 n PRO 107 Cb 0.48 -2.27 -0.11 0.00 -0.04 0.00 0.00 33.50 31.56 1th2 n PRO 107 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1th2 s ILE 108 N -0.11 1.34 -0.01 0.52 -4.36 -0.85 -1.32 121.20 116.41 1th2 s ILE 108 Ca 0.69 -1.92 0.05 0.00 -0.26 0.00 0.00 60.65 59.21 1th2 s ILE 108 Cb -0.69 -1.72 -0.01 0.00 1.25 0.00 0.00 42.46 41.28 1th2 s ILE 108 CO 0.50 -0.56 -0.15 0.00 0.24 0.00 0.00 174.94 174.98 1th2 s ALA 109 N -2.69 1.22 0.01 2.27 0.00 -0.32 -1.59 121.76 120.66 1th2 s ALA 109 Ca 0.14 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1th2 s ALA 109 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 1th2 s ALA 109 CO 0.03 0.29 -0.03 0.08 0.00 0.00 0.00 175.76 176.13 1th2 s VAL 110 N -0.38 0.17 -0.08 0.00 1.01 -0.25 -0.09 120.40 120.78 1th2 s VAL 110 Ca 0.05 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 1th2 s VAL 110 Cb -0.06 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.12 1th2 s VAL 110 CO -0.00 -0.21 0.00 -0.60 0.00 0.00 0.00 175.10 174.29 1th2 s ARG 111 N -0.74 0.61 0.23 2.72 3.52 -0.98 -0.92 118.95 123.39 1th2 s ARG 111 Ca -0.07 0.08 -0.04 0.00 -0.13 0.00 0.00 55.73 55.58 1th2 s ARG 111 Cb -0.05 -1.03 -0.05 0.00 -1.56 0.00 0.00 34.95 32.26 1th2 s ARG 111 CO -0.00 -0.32 0.47 -0.06 -0.81 0.00 0.00 175.30 174.57 1th2 s PHE 112 N 1.97 3.48 0.12 5.12 0.08 0.30 -2.58 117.98 126.47 1th2 s PHE 112 Ca 0.05 0.53 -0.25 0.00 0.12 0.00 0.00 56.93 57.37 1th2 s PHE 112 Cb -0.12 -2.00 0.08 0.00 -0.57 0.00 0.00 43.02 40.40 1th2 s PHE 112 CO -0.05 0.29 1.07 -1.54 -0.10 0.00 0.00 175.22 174.88 1th2 s SER 113 N -3.02 -0.09 0.00 1.36 1.04 -0.49 -1.37 113.70 111.13 1th2 s SER 113 Ca 0.42 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1th2 s SER 113 Cb -0.11 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1th2 s SER 113 CO 0.28 -0.78 0.00 0.35 0.98 0.00 0.00 173.24 174.08 1th2 n THR 114 N -0.56 0.00 0.08 2.02 -2.24 -0.81 0.15 114.28 112.92 1th2 n THR 114 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1th2 n THR 114 Cb 0.61 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 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 0.00 0.53 0.10 2.28 0.31 -1.26 -3.81 118.33 116.48 1th2 n VAL 115 Ca 0.00 0.17 -0.05 0.00 -0.01 0.00 0.00 64.34 64.46 1th2 n VAL 115 Cb 0.00 -1.07 -0.02 0.00 -0.91 0.00 0.00 33.84 31.83 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 0.00 -0.42 -1.88 3.52 0.00 -1.93 -0.29 119.26 118.26 1th2 h ALA 116 Ca 0.00 -0.07 -0.61 0.00 0.00 0.00 0.00 54.91 54.23 1th2 h ALA 116 Cb 0.11 0.12 0.17 0.00 0.00 0.00 0.00 17.79 18.18 1th2 h ALA 116 CO 0.00 -0.40 -0.93 0.41 0.00 0.00 0.00 179.25 178.33 1th2 n GLY 117 N 0.73 -2.70 3.98 0.00 0.00 -1.26 -4.80 105.19 101.14 1th2 n GLY 117 Ca -0.04 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 1th2 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1th2 s GLU 118 N -1.13 1.39 0.40 1.61 8.01 -1.26 -3.96 118.70 123.76 1th2 s GLU 118 Ca 0.60 -1.00 0.28 0.00 0.01 0.00 0.00 54.97 54.85 1th2 s GLU 118 Cb -0.57 -2.22 1.37 0.00 -4.31 0.00 0.00 34.13 28.40 1th2 s GLU 118 CO 0.63 -1.70 1.47 0.43 0.01 0.00 0.00 175.26 176.10 1th2 n SER 119 N -3.06 0.23 -1.64 -0.19 7.64 -1.26 -1.02 113.62 114.32 1th2 n SER 119 Ca 0.16 1.37 0.07 0.00 1.01 0.00 0.00 58.87 61.48 1th2 n SER 119 Cb 0.60 -0.67 0.37 0.00 -1.01 0.00 0.00 64.21 63.50 1th2 n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1th2 n GLY 120 N -1.43 3.29 3.96 0.23 0.00 -1.26 -4.82 105.19 105.16 1th2 n GLY 120 Ca 0.37 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 1th2 n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1th2 s SER 121 N -1.10 3.51 0.08 1.61 1.04 -0.19 -5.08 113.70 113.58 1th2 s SER 121 Ca 0.52 -0.10 -0.13 0.00 0.48 0.00 0.00 55.95 56.71 1th2 s SER 121 Cb 0.40 -0.02 -0.06 0.00 0.10 0.00 0.00 66.02 66.44 1th2 s SER 121 CO 0.14 -2.45 0.47 0.00 0.98 0.00 0.00 173.24 172.38 1th2 s ALA 122 N -3.59 3.66 -0.03 5.32 0.00 -1.26 -4.80 121.76 121.05 1th2 s ALA 122 Ca 0.72 -0.22 -0.25 0.00 0.00 0.00 0.00 51.96 52.21 1th2 s ALA 122 Cb -0.03 -2.42 -0.20 0.00 0.00 0.00 0.00 23.12 20.47 1th2 s ALA 122 CO 0.50 0.49 1.19 -0.44 0.00 0.00 0.00 175.76 177.50 1th2 h ASP 123 N 4.00 -0.06 0.00 0.00 3.32 -1.24 -3.37 116.42 119.07 1th2 h ASP 123 Ca -0.50 -0.46 -0.33 0.00 0.02 0.00 0.00 57.03 55.77 1th2 h ASP 123 Cb 1.20 0.02 0.02 0.00 0.22 0.00 0.00 39.33 40.78 1th2 h ASP 123 CO 0.65 0.44 2.33 0.35 -1.72 0.00 0.00 179.24 181.29 1th2 n THR 124 N -4.88 2.00 -4.31 0.35 -2.24 -1.26 -4.81 114.28 99.12 1th2 n THR 124 Ca -0.09 -1.21 -0.17 0.00 -2.27 0.00 0.00 64.05 60.32 1th2 n THR 124 Cb 0.26 -2.04 -0.10 0.00 -2.10 0.00 0.00 70.33 66.35 1th2 n THR 124 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1th2 s VAL 125 N 3.77 1.42 -0.11 2.28 -7.23 -1.26 -4.38 120.40 114.89 1th2 s VAL 125 Ca 0.34 -2.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.09 1th2 s VAL 125 Cb 0.09 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 1th2 s VAL 125 CO -0.02 -0.63 1.18 -0.60 -0.31 0.00 0.00 175.10 174.72 1th2 s ARG 126 N -3.71 4.32 0.00 4.82 3.52 -1.26 -4.60 118.95 122.03 1th2 s ARG 126 Ca 0.21 1.60 0.00 0.00 -0.13 0.00 0.00 55.73 57.41 1th2 s ARG 126 Cb 0.01 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.78 1th2 s ARG 126 CO 0.04 -0.52 0.00 -3.47 -0.81 0.00 0.00 175.30 170.54 1th2 n ASP 127 N 5.69 0.00 -4.14 -2.12 2.03 -0.49 -5.02 116.55 112.50 1th2 n ASP 127 Ca 0.12 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.13 1th2 n ASP 127 Cb 0.46 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 41.11 1th2 n ASP 127 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1th2 s PRO 128 N -2.00 -1.26 -0.05 -0.67 0.02 -1.26 -4.71 135.00 125.08 1th2 s PRO 128 Ca 0.00 0.39 0.03 0.00 0.02 0.00 0.00 61.00 61.44 1th2 s PRO 128 Cb 0.00 -1.55 0.01 0.00 0.02 0.00 0.00 34.50 32.98 1th2 s PRO 128 CO 0.00 -3.84 -0.12 1.03 -0.33 0.00 0.00 177.00 173.74 1th2 s ARG 129 N -4.91 1.46 0.02 5.54 1.81 -1.26 -4.07 118.95 117.54 1th2 s ARG 129 Ca 0.68 -0.41 -0.30 0.00 -1.72 0.00 0.00 55.73 53.98 1th2 s ARG 129 Cb -0.18 -1.26 -0.03 0.00 -0.45 0.00 0.00 34.95 33.03 1th2 s ARG 129 CO 0.60 0.10 0.99 0.20 -0.68 0.00 0.00 175.30 176.50 1th2 s GLY 130 N 0.39 2.91 -0.44 -3.53 0.00 0.40 -1.30 107.32 105.75 1th2 s GLY 130 Ca -0.08 0.56 0.06 0.00 0.00 0.00 0.00 44.72 45.25 1th2 s GLY 130 CO 0.02 1.67 0.46 0.33 0.00 0.00 0.00 173.10 175.59 1th2 n PHE 131 N 3.76 -0.07 -3.18 1.90 -0.00 0.68 -1.40 117.46 119.15 1th2 n PHE 131 Ca 0.06 -3.55 -0.39 0.00 -0.00 0.00 0.00 57.45 53.57 1th2 n PHE 131 Cb 0.51 -0.13 -0.05 0.00 -0.00 0.00 0.00 39.48 39.80 1th2 n PHE 131 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1th2 s ALA 132 N -0.80 3.42 -0.11 3.13 0.00 -1.06 -2.50 121.76 123.84 1th2 s ALA 132 Ca 0.34 -0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.33 1th2 s ALA 132 Cb 0.10 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1th2 s ALA 132 CO -0.14 0.00 -0.23 0.08 0.00 0.00 0.00 175.76 175.47 1th2 s VAL 133 N 0.49 2.08 -0.29 0.00 1.01 0.67 -2.32 120.40 122.04 1th2 s VAL 133 Ca 0.32 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 1th2 s VAL 133 Cb -0.17 -1.80 0.04 0.00 0.00 0.00 0.00 36.38 34.45 1th2 s VAL 133 CO 0.15 0.56 -0.00 -0.75 0.00 0.00 0.00 175.10 175.05 1th2 s LYS 134 N 0.50 2.55 -0.30 2.72 2.20 0.88 0.35 119.74 128.64 1th2 s LYS 134 Ca -0.15 -1.18 -0.19 0.00 -0.36 0.00 0.00 55.97 54.09 1th2 s LYS 134 Cb -0.17 -3.17 -0.01 0.00 -1.51 0.00 0.00 37.83 32.97 1th2 s LYS 134 CO 0.05 -0.57 0.57 -0.06 -0.36 0.00 0.00 175.35 174.98 1th2 s PHE 135 N 1.29 3.22 -1.32 4.03 0.40 0.18 -1.17 117.98 124.61 1th2 s PHE 135 Ca -0.04 0.51 -0.13 0.00 -0.60 0.00 0.00 56.93 56.68 1th2 s PHE 135 Cb -0.19 -2.90 0.12 0.00 0.51 0.00 0.00 43.02 40.56 1th2 s PHE 135 CO -0.01 -0.44 1.86 0.66 0.70 0.00 0.00 175.22 177.99 1th2 n TYR 136 N 5.76 3.77 -1.72 0.36 4.01 -0.43 -0.94 117.16 127.96 1th2 n TYR 136 Ca -0.03 -2.96 -0.30 0.00 -0.16 0.00 0.00 57.90 54.45 1th2 n TYR 136 Cb 0.49 -2.26 0.19 0.00 -0.31 0.00 0.00 39.34 37.45 1th2 n TYR 136 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1th2 s THR 137 N 1.95 1.91 -1.28 -0.72 -4.23 -0.47 -4.56 115.64 108.23 1th2 s THR 137 Ca 0.44 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.21 1th2 s THR 137 Cb 0.07 -2.87 0.14 0.00 1.34 0.00 0.00 72.50 71.18 1th2 s THR 137 CO -0.01 0.00 1.54 -0.62 -0.54 0.00 0.00 174.62 174.99 1th2 n GLU 138 N -3.97 0.31 -0.92 3.99 1.02 -1.23 -3.24 120.64 116.60 1th2 n GLU 138 Ca 0.14 -0.17 -0.08 0.00 -0.02 0.00 0.00 57.16 57.03 1th2 n GLU 138 Cb 0.60 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.75 1th2 n GLU 138 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1th2 n ASP 139 N -1.20 3.68 0.00 1.62 9.92 -1.26 -4.60 116.55 124.70 1th2 n ASP 139 Ca 0.08 -3.47 0.00 0.00 -0.53 0.00 0.00 54.79 50.88 1th2 n ASP 139 Cb 0.33 -0.71 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 1th2 n ASP 139 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1th2 n GLY 140 N -0.77 -0.98 3.65 0.44 0.00 -1.20 -4.69 105.19 101.64 1th2 n GLY 140 Ca 0.40 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 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 -4.00 5.04 -0.24 1.61 -0.87 -1.26 -1.37 114.94 113.85 1th2 s ASN 141 Ca 0.00 0.08 -0.04 0.00 -1.57 0.00 0.00 52.86 51.33 1th2 s ASN 141 Cb 0.00 -1.36 0.01 0.00 -0.02 0.00 0.00 41.25 39.87 1th2 s ASN 141 CO 0.00 0.37 -0.03 0.86 -2.57 0.00 0.00 177.10 175.73 1th2 s TRP 142 N -0.88 3.03 -0.32 2.20 -0.00 -0.12 -4.01 118.94 118.84 1th2 s TRP 142 Ca 0.13 -1.15 -0.07 0.00 -0.00 0.00 0.00 56.10 55.01 1th2 s TRP 142 Cb -0.11 -2.12 0.02 0.00 -0.00 0.00 0.00 33.47 31.26 1th2 s TRP 142 CO 0.03 -0.62 0.11 -0.51 -0.00 0.00 0.00 176.95 175.96 1th2 s ASP 143 N 1.43 5.28 -0.68 5.86 1.01 -0.43 0.47 116.67 129.61 1th2 s ASP 143 Ca 0.03 -0.90 -0.11 0.00 0.71 0.00 0.00 52.55 52.29 1th2 s ASP 143 Cb -0.16 -1.90 0.18 0.00 1.01 0.00 0.00 42.92 42.05 1th2 s ASP 143 CO -0.03 -0.26 0.58 -0.22 0.21 0.00 0.00 175.17 175.45 1th2 s LEU 144 N 1.47 6.14 -1.15 1.23 2.96 0.15 -4.52 118.68 124.97 1th2 s LEU 144 Ca 0.01 -2.47 -0.17 0.00 -0.22 0.00 0.00 54.13 51.28 1th2 s LEU 144 Cb -0.18 -2.09 0.12 0.00 0.50 0.00 0.00 46.19 44.54 1th2 s LEU 144 CO 0.03 -0.58 1.45 -0.69 -1.32 0.00 0.00 176.35 175.24 1th2 s VAL 145 N 0.51 4.59 0.53 1.68 1.01 -1.26 -0.24 120.40 127.22 1th2 s VAL 145 Ca 0.14 -2.00 0.08 0.00 0.00 0.00 0.00 61.98 60.19 1th2 s VAL 145 Cb -0.18 -4.98 0.04 0.00 0.00 0.00 0.00 36.38 31.27 1th2 s VAL 145 CO -0.05 -1.75 0.56 -0.83 0.00 0.00 0.00 175.10 173.04 1th2 s GLY 146 N 3.63 2.06 0.15 4.51 0.00 -1.04 -4.92 107.32 111.71 1th2 s GLY 146 Ca 0.44 -1.73 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1th2 s GLY 146 CO -0.01 -1.77 0.02 0.70 0.00 0.00 0.00 173.10 172.03 1th2 n ASN 147 N -1.91 1.96 -1.01 1.64 5.03 -0.25 -0.23 115.26 120.48 1th2 n ASN 147 Ca 0.06 -1.69 0.11 0.00 0.87 0.00 0.00 54.58 53.94 1th2 n ASN 147 Cb 0.62 0.18 0.25 0.00 -1.02 0.00 0.00 39.78 39.82 1th2 n ASN 147 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1th2 n ASN 148 N -1.37 3.01 -4.38 6.41 2.04 -0.42 0.66 115.26 121.21 1th2 n ASN 148 Ca -0.05 -1.93 -0.28 0.00 -0.44 0.00 0.00 54.58 51.88 1th2 n ASN 148 Cb 0.20 -0.22 -0.13 0.00 -2.53 0.00 0.00 39.78 37.09 1th2 n ASN 148 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1th2 s THR 149 N -1.55 2.20 -1.23 5.53 -1.32 -1.26 -4.68 115.64 113.33 1th2 s THR 149 Ca 0.37 -1.76 0.25 0.00 -1.21 0.00 0.00 61.69 59.34 1th2 s THR 149 Cb 0.21 -1.96 0.04 0.00 -1.51 0.00 0.00 72.50 69.28 1th2 s THR 149 CO 0.30 0.05 1.37 -0.81 -2.21 0.00 0.00 174.62 173.32 1th2 n PRO 150 N 0.87 0.26 -4.52 7.08 -0.04 -1.26 -4.50 135.00 132.89 1th2 n PRO 150 Ca -0.18 -0.16 -0.25 0.00 -0.04 0.00 0.00 63.50 62.87 1th2 n PRO 150 Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1th2 n PRO 150 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1th2 s ILE 151 N -2.86 1.03 0.28 0.52 -4.36 -1.26 -4.17 121.20 110.39 1th2 s ILE 151 Ca 0.14 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.56 1th2 s ILE 151 Cb 0.18 -2.57 -0.04 0.00 1.25 0.00 0.00 42.46 41.28 1th2 s ILE 151 CO 0.67 0.00 0.19 0.12 0.24 0.00 0.00 174.94 176.17 1th2 s PHE 152 N -3.18 1.52 -0.10 1.37 5.36 -1.10 -4.95 117.98 116.89 1th2 s PHE 152 Ca 0.28 -1.48 0.28 0.00 -0.96 0.00 0.00 56.93 55.06 1th2 s PHE 152 Cb 0.06 -0.72 0.91 0.00 -0.34 0.00 0.00 43.02 42.93 1th2 s PHE 152 CO 0.14 -0.68 1.82 0.74 -1.46 0.00 0.00 175.22 175.78 1th2 h PHE 153 N 2.31 0.00 -4.11 10.12 -1.00 -1.88 -3.40 116.94 118.98 1th2 h PHE 153 Ca -0.31 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.34 1th2 h PHE 153 Cb 1.24 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.66 1th2 h PHE 153 CO 1.06 0.03 -0.53 0.96 -1.61 0.00 0.00 178.31 178.22 1th2 s ILE 154 N -3.48 0.15 -0.31 -0.55 -4.36 -1.26 -2.74 121.20 108.65 1th2 s ILE 154 Ca 0.03 -1.60 0.03 0.00 -0.26 0.00 0.00 60.65 58.86 1th2 s ILE 154 Cb 0.08 -1.64 0.01 0.00 1.25 0.00 0.00 42.46 42.15 1th2 s ILE 154 CO 0.60 -0.67 0.44 -2.11 0.24 0.00 0.00 174.94 173.44 1th2 n ARG 155 N -0.03 1.63 -4.06 0.37 1.85 -1.26 -4.60 116.66 110.56 1th2 n ARG 155 Ca -0.11 -0.46 -0.32 0.00 -1.00 0.00 0.00 57.85 55.96 1th2 n ARG 155 Cb 0.62 -0.92 -0.15 0.00 -1.05 0.00 0.00 32.46 30.96 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 -0.60 4.17 0.56 2.89 -1.08 -1.26 -3.21 116.67 118.14 1th2 s ASP 156 Ca 0.03 -1.25 0.46 0.00 -0.52 0.00 0.00 52.55 51.27 1th2 s ASP 156 Cb 0.02 -1.49 1.64 0.00 -1.46 0.00 0.00 42.92 41.63 1th2 s ASP 156 CO 0.07 -0.17 1.58 0.00 0.52 0.00 0.00 175.17 177.17 1th2 h ALA 157 N 7.82 3.68 0.00 3.66 0.00 -1.86 0.44 119.26 133.00 1th2 h ALA 157 Ca -0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1th2 h ALA 157 Cb 1.06 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1th2 h ALA 157 CO 0.48 -2.24 0.00 -0.07 0.00 0.00 0.00 179.25 177.43 1th2 h LEU 158 N 0.00 0.00 -2.14 0.00 3.38 -1.94 -1.18 115.31 113.43 1th2 h LEU 158 Ca 0.84 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.81 1th2 h LEU 158 Cb 3.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 44.23 1th2 h LEU 158 CO -0.01 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.70 1th2 n LEU 159 N -2.38 2.86 0.18 1.67 4.32 0.16 -4.62 117.00 119.20 1th2 n LEU 159 Ca -0.01 -1.41 -0.12 0.00 -0.02 0.00 0.00 56.01 54.45 1th2 n LEU 159 Cb 0.08 -0.15 -0.07 0.00 -1.62 0.00 0.00 43.42 41.66 1th2 n LEU 159 CO 0.13 0.61 0.41 0.15 -1.22 0.00 0.00 177.39 177.46 1th2 h PHE 160 N 3.33 -0.47 -0.57 -1.77 3.57 -1.34 0.34 116.94 120.03 1th2 h PHE 160 Ca 0.00 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.60 1th2 h PHE 160 Cb 0.78 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 39.60 1th2 h PHE 160 CO 0.15 -0.15 0.10 -1.35 -2.23 0.00 0.00 178.31 174.83 1th2 h PRO 161 N -0.97 0.23 -0.61 6.41 0.11 -1.82 -0.05 132.00 135.30 1th2 h PRO 161 Ca -0.05 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.08 1th2 h PRO 161 Cb 0.53 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.55 1th2 h PRO 161 CO 0.09 0.15 0.36 0.77 -0.21 0.00 0.00 178.00 179.15 1th2 h SER 162 N 0.23 0.56 0.81 -2.05 0.02 -1.83 -1.25 113.55 110.05 1th2 h SER 162 Ca 0.30 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1th2 h SER 162 Cb 0.44 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.88 1th2 h SER 162 CO -0.40 0.38 -0.39 0.15 -1.14 0.00 0.00 176.83 175.43 1th2 h PHE 163 N 0.69 -1.01 -0.88 3.45 3.57 0.39 -1.74 116.94 121.42 1th2 h PHE 163 Ca 0.26 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.93 1th2 h PHE 163 Cb 0.08 0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 1th2 h PHE 163 CO -0.07 -0.63 0.58 0.82 -2.23 0.00 0.00 178.31 176.79 1th2 h ILE 164 N -1.09 0.69 -0.09 1.41 1.08 -0.93 0.81 117.51 119.39 1th2 h ILE 164 Ca -0.11 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 1th2 h ILE 164 Cb 0.84 0.26 -0.00 0.00 -3.07 0.00 0.00 36.82 34.85 1th2 h ILE 164 CO 0.18 0.07 0.01 0.45 -0.69 0.00 0.00 178.15 178.18 1th2 h HIS 165 N 0.39 0.15 -0.07 1.37 3.86 -0.86 -2.15 115.15 117.86 1th2 h HIS 165 Ca 0.45 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.66 1th2 h HIS 165 Cb 1.14 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.56 1th2 h HIS 165 CO -0.00 0.35 0.09 0.66 0.86 0.00 0.00 177.93 179.89 1th2 h SER 166 N -0.09 0.00 0.16 2.45 4.64 0.02 -0.93 113.55 119.80 1th2 h SER 166 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1th2 h SER 166 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1th2 h SER 166 CO 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 176.83 175.80 1th2 n GLN 167 N -3.67 1.09 0.00 4.77 1.13 -0.57 -2.67 117.38 117.47 1th2 n GLN 167 Ca -0.01 -0.62 0.00 0.00 -1.94 0.00 0.00 57.00 54.42 1th2 n GLN 167 Cb 0.18 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1th2 n GLN 167 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1th2 n LYS 168 N -0.41 3.92 -2.48 -1.09 5.02 -0.35 -4.86 118.16 117.91 1th2 n LYS 168 Ca 0.15 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.07 1th2 n LYS 168 Cb 0.34 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.32 1th2 n LYS 168 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1th2 s ARG 169 N 1.37 4.08 0.30 1.97 0.52 -1.26 -4.19 118.95 121.74 1th2 s ARG 169 Ca 0.00 1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 56.49 1th2 s ARG 169 Cb 0.00 -2.53 -0.11 0.00 0.52 0.00 0.00 34.95 32.83 1th2 s ARG 169 CO 0.00 -0.23 1.60 -1.71 0.02 0.00 0.00 175.30 174.99 1th2 n ASN 170 N -0.14 3.92 0.28 0.23 5.15 0.64 -4.85 115.26 120.49 1th2 n ASN 170 Ca 0.05 1.15 0.16 0.00 -0.60 0.00 0.00 54.58 55.34 1th2 n ASN 170 Cb 0.49 -1.60 0.77 0.00 -0.53 0.00 0.00 39.78 38.91 1th2 n ASN 170 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1th2 h PRO 171 N 4.72 0.00 0.00 1.20 0.13 -1.94 -1.33 132.00 134.77 1th2 h PRO 171 Ca -0.47 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 1th2 h PRO 171 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1th2 h PRO 171 CO 0.79 0.00 -1.52 0.94 -0.23 0.00 0.00 178.00 177.98 1th2 n GLN 172 N -3.06 1.20 0.04 0.86 7.27 -1.26 -4.71 117.38 117.73 1th2 n GLN 172 Ca 0.00 0.03 0.05 0.00 0.07 0.00 0.00 57.00 57.15 1th2 n GLN 172 Cb 0.46 -1.19 -0.07 0.00 2.41 0.00 0.00 30.24 31.85 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 -2.58 0.83 -0.98 1.69 -2.24 -1.22 -4.96 114.28 104.81 1th2 n THR 173 Ca -0.15 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1th2 n THR 173 Cb 0.70 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.71 0.00 -3.28 4.78 -0.00 -0.50 -4.96 115.22 108.54 1th2 n HIS 174 Ca -0.07 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.90 1th2 n HIS 174 Cb 0.72 -0.55 0.00 0.00 -0.12 0.00 0.00 29.99 30.04 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 0.00 3.84 0.07 0.27 1.43 -1.26 -4.59 118.68 118.45 1th2 s LEU 175 Ca 0.00 -0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 52.78 1th2 s LEU 175 Cb 0.00 -2.90 -0.06 0.00 0.03 0.00 0.00 46.19 43.25 1th2 s LEU 175 CO 0.00 -0.54 1.25 -0.54 0.23 0.00 0.00 176.35 176.75 1th2 s LYS 176 N -4.32 4.40 -0.31 1.70 -0.14 -1.26 -0.26 119.74 119.54 1th2 s LYS 176 Ca 0.46 1.86 -0.04 0.00 -1.36 0.00 0.00 55.97 56.89 1th2 s LYS 176 Cb -0.10 -3.32 0.04 0.00 -1.68 0.00 0.00 37.83 32.77 1th2 s LYS 176 CO 0.34 -0.31 0.04 0.34 -0.76 0.00 0.00 175.35 175.00 1th2 s ASP 177 N 1.09 5.04 0.45 2.83 -1.08 -1.26 -4.91 116.67 118.82 1th2 s ASP 177 Ca 0.60 -1.14 0.20 0.00 -0.52 0.00 0.00 52.55 51.69 1th2 s ASP 177 Cb -0.31 -1.79 1.09 0.00 -1.46 0.00 0.00 42.92 40.45 1th2 s ASP 177 CO 0.29 -0.27 1.96 1.55 0.52 0.00 0.00 175.17 179.23 1th2 h PRO 178 N 8.11 0.00 -0.27 4.34 0.13 -1.93 -1.37 132.00 141.00 1th2 h PRO 178 Ca -0.24 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.76 1th2 h PRO 178 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1th2 h PRO 178 CO 0.57 0.22 -0.39 -0.44 -0.23 0.00 0.00 178.00 177.72 1th2 h ASP 179 N 0.00 0.68 0.08 1.44 3.32 -1.93 -0.79 116.42 119.22 1th2 h ASP 179 Ca -0.00 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 1th2 h ASP 179 Cb 0.46 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1th2 h ASP 179 CO 0.03 1.00 -0.04 0.24 -1.72 0.00 0.00 179.24 178.75 1th2 h MET 180 N 0.53 -0.10 -0.17 3.56 2.86 -1.70 -0.51 114.93 119.40 1th2 h MET 180 Ca 0.05 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1th2 h MET 180 Cb 0.91 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.53 1th2 h MET 180 CO 0.08 0.36 -0.29 0.28 1.06 0.00 0.00 176.91 178.40 1th2 h VAL 181 N -0.61 0.33 0.13 -2.22 2.07 -1.04 -2.79 116.25 112.12 1th2 h VAL 181 Ca -0.01 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.25 1th2 h VAL 181 Cb 0.51 0.33 0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1th2 h VAL 181 CO 0.02 0.00 -1.08 -0.50 0.02 0.00 0.00 177.57 176.03 1th2 h TRP 182 N -0.34 0.84 -0.71 1.57 4.06 -1.23 -2.73 115.95 117.41 1th2 h TRP 182 Ca 0.11 -0.55 0.16 0.00 2.06 0.00 0.00 58.89 60.67 1th2 h TRP 182 Cb 0.51 -0.06 -0.04 0.00 -1.00 0.00 0.00 29.16 28.57 1th2 h TRP 182 CO -0.39 1.40 0.48 0.22 -3.56 0.00 0.00 178.44 176.59 1th2 h ASP 183 N 0.04 0.27 0.18 -3.49 3.58 -1.13 0.18 116.42 116.05 1th2 h ASP 183 Ca -0.17 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.29 1th2 h ASP 183 Cb 1.80 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.82 1th2 h ASP 183 CO 0.21 0.14 -0.09 0.15 -2.88 0.00 0.00 179.24 176.77 1th2 h PHE 184 N 0.29 -0.22 -1.00 0.28 3.57 -1.51 -2.94 116.94 115.41 1th2 h PHE 184 Ca 0.35 -0.01 0.28 0.00 3.53 0.00 0.00 57.97 62.12 1th2 h PHE 184 Cb 0.95 0.07 -0.13 0.00 2.79 0.00 0.00 35.95 39.63 1th2 h PHE 184 CO -0.00 -0.14 0.58 -1.49 -2.23 0.00 0.00 178.31 175.03 1th2 h TRP 185 N -0.51 0.98 -0.17 0.41 6.55 -1.21 0.51 115.95 122.51 1th2 h TRP 185 Ca -0.02 0.04 -0.03 0.00 0.95 0.00 0.00 58.89 59.82 1th2 h TRP 185 Cb 0.18 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.20 1th2 h TRP 185 CO 0.05 -0.04 -0.04 0.66 -1.05 0.00 0.00 178.44 178.03 1th2 h SER 186 N 0.47 0.23 0.60 -3.49 4.64 -0.72 -1.63 113.55 113.64 1th2 h SER 186 Ca 0.68 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 1th2 h SER 186 Cb 1.41 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1th2 h SER 186 CO -0.53 0.31 -0.25 0.18 -0.87 0.00 0.00 176.83 175.67 1th2 n LEU 187 N -4.36 0.38 -3.52 5.97 4.77 0.17 -4.42 117.00 115.99 1th2 n LEU 187 Ca -0.00 0.13 -0.27 0.00 -0.03 0.00 0.00 56.01 55.84 1th2 n LEU 187 Cb 0.20 -0.30 -0.10 0.00 -2.33 0.00 0.00 43.42 40.89 1th2 n LEU 187 CO 0.37 0.08 -0.22 0.54 -1.33 0.00 0.00 177.39 176.83 1th2 n ARG 188 N -1.32 0.81 0.06 3.23 5.12 -0.61 -4.96 116.66 118.98 1th2 n ARG 188 Ca 0.08 -3.62 0.20 0.00 -1.93 0.00 0.00 57.85 52.58 1th2 n ARG 188 Cb 0.32 -1.83 0.73 0.00 -1.16 0.00 0.00 32.46 30.52 1th2 n ARG 188 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1th2 h PRO 189 N 5.35 0.00 0.00 5.56 0.11 -1.77 -1.48 132.00 139.77 1th2 h PRO 189 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1th2 h PRO 189 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1th2 h PRO 189 CO 0.50 0.00 0.20 -0.85 -0.21 0.00 0.00 178.00 177.64 1th2 n GLU 190 N -4.11 0.00 0.03 1.05 0.00 -1.26 0.87 120.64 117.23 1th2 n GLU 190 Ca 0.08 0.29 -0.11 0.00 0.00 0.00 0.00 57.16 57.42 1th2 n GLU 190 Cb 0.57 -1.70 -0.13 0.00 0.00 0.00 0.00 31.44 30.18 1th2 n GLU 190 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1th2 h SER 191 N 0.00 0.12 -0.44 -1.84 4.64 -1.07 -3.40 113.55 111.57 1th2 h SER 191 Ca 0.00 -0.17 0.13 0.00 -0.47 0.00 0.00 61.79 61.27 1th2 h SER 191 Cb 0.39 -0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 62.36 1th2 h SER 191 CO 0.00 1.14 0.03 0.18 -0.87 0.00 0.00 176.83 177.31 1th2 n LEU 192 N -3.29 -0.03 0.39 5.97 4.77 0.25 -1.01 117.00 124.06 1th2 n LEU 192 Ca -0.11 0.74 -0.19 0.00 -0.03 0.00 0.00 56.01 56.42 1th2 n LEU 192 Cb 1.01 -0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 41.72 1th2 n LEU 192 CO 0.47 -0.76 0.53 -0.74 -1.33 0.00 0.00 177.39 175.57 1th2 h HIS 193 N 0.00 -1.35 0.00 -1.77 2.76 -1.78 -1.50 115.15 111.51 1th2 h HIS 193 Ca 0.27 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.36 1th2 h HIS 193 Cb 0.58 0.49 -0.01 0.00 1.55 0.00 0.00 27.41 30.03 1th2 h HIS 193 CO -0.20 -0.72 -0.39 0.37 -1.30 0.00 0.00 177.93 175.69 1th2 h GLN 194 N -1.16 0.00 -0.72 5.26 5.75 -1.29 -2.25 115.11 120.71 1th2 h GLN 194 Ca -0.09 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 1th2 h GLN 194 Cb 0.95 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.46 1th2 h GLN 194 CO 0.06 0.39 0.35 0.28 -2.65 0.00 0.00 178.83 177.26 1th2 h VAL 195 N 0.00 1.23 0.64 2.39 2.07 -1.12 0.10 116.25 121.56 1th2 h VAL 195 Ca -0.00 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1th2 h VAL 195 Cb 0.72 0.34 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1th2 h VAL 195 CO 0.05 0.27 -0.31 0.28 0.02 0.00 0.00 177.57 177.89 1th2 h SER 196 N 1.00 -0.72 -1.22 0.57 0.02 -0.86 -0.77 113.55 111.58 1th2 h SER 196 Ca 0.25 0.02 0.37 0.00 -0.84 0.00 0.00 61.79 61.59 1th2 h SER 196 Cb 0.11 0.19 -0.11 0.00 0.14 0.00 0.00 62.40 62.72 1th2 h SER 196 CO -0.03 -0.47 0.79 0.15 -1.14 0.00 0.00 176.83 176.13 1th2 h PHE 197 N -0.95 0.54 0.11 3.45 3.04 -1.30 -1.68 116.94 120.15 1th2 h PHE 197 Ca -0.09 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.88 1th2 h PHE 197 Cb 0.65 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.02 1th2 h PHE 197 CO 0.06 -0.09 -0.06 1.25 -2.02 0.00 0.00 178.31 177.45 1th2 h LEU 198 N 0.19 -0.13 -0.38 0.59 5.85 -0.29 -3.14 115.31 118.01 1th2 h LEU 198 Ca 0.72 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1th2 h LEU 198 Cb 2.17 0.03 0.00 0.00 0.37 0.00 0.00 40.66 43.24 1th2 h LEU 198 CO -0.34 0.39 0.00 0.49 -0.34 0.00 0.00 178.44 178.64 1th2 n PHE 199 N -4.91 0.00 -2.99 1.25 3.01 -0.34 -3.14 117.46 110.34 1th2 n PHE 199 Ca -0.08 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.23 1th2 n PHE 199 Cb 0.27 -0.02 0.05 0.00 -0.01 0.00 0.00 39.48 39.77 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 -0.24 1.50 0.00 4.37 3.41 -1.06 -4.31 113.62 117.29 1th2 n SER 200 Ca 0.00 -2.10 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 1th2 n SER 200 Cb 0.06 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1th2 n SER 200 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1th2 n ASP 201 N -2.54 0.00 -0.57 4.04 8.00 -1.26 -0.81 116.55 123.41 1th2 n ASP 201 Ca 0.12 0.45 0.13 0.00 0.71 0.00 0.00 54.79 56.20 1th2 n ASP 201 Cb 0.44 -0.45 0.36 0.00 -0.02 0.00 0.00 41.12 41.44 1th2 n ASP 201 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1th2 n ARG 202 N -1.45 1.69 0.24 -1.24 5.12 -1.26 -4.06 116.66 115.70 1th2 n ARG 202 Ca 0.00 -1.15 0.13 0.00 -1.93 0.00 0.00 57.85 54.89 1th2 n ARG 202 Cb 0.01 -1.48 0.51 0.00 -1.16 0.00 0.00 32.46 30.35 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 4.83 0.00 -6.56 -0.13 0.00 -0.91 -3.38 103.07 96.91 1th2 h GLY 203 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1th2 h GLY 203 CO 0.00 0.00 -0.87 -0.42 0.00 0.00 0.00 176.54 175.25 1th2 s ILE 204 N -3.60 0.31 0.31 2.60 1.01 -1.26 -1.40 121.20 119.16 1th2 s ILE 204 Ca 0.01 -2.04 -0.27 0.00 0.00 0.00 0.00 60.65 58.35 1th2 s ILE 204 Cb 0.09 -1.23 -0.10 0.00 0.01 0.00 0.00 42.46 41.24 1th2 s ILE 204 CO 0.61 -1.05 0.98 -2.16 0.00 0.00 0.00 174.94 173.31 1th2 s PRO 205 N 0.73 4.59 -0.95 2.79 0.04 -1.26 -0.09 135.00 140.85 1th2 s PRO 205 Ca 0.22 1.45 -0.24 0.00 0.04 0.00 0.00 61.00 62.47 1th2 s PRO 205 Cb -0.16 -2.92 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 1th2 s PRO 205 CO -0.05 0.26 1.81 0.34 0.04 0.00 0.00 177.00 179.41 1th2 s ASP 206 N -1.42 5.52 0.00 6.66 2.15 0.29 -4.58 116.67 125.28 1th2 s ASP 206 Ca 0.49 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 52.52 1th2 s ASP 206 Cb -0.22 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 1th2 s ASP 206 CO 0.28 -2.41 0.00 0.61 -0.17 0.00 0.00 175.17 173.48 1th2 n GLY 207 N 6.80 -1.96 0.09 2.66 0.00 -1.26 -4.21 105.19 107.31 1th2 n GLY 207 Ca 0.39 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 1th2 n GLY 207 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1th2 h HIS 208 N 0.00 0.34 0.00 1.61 3.86 -1.85 -3.29 115.15 115.82 1th2 h HIS 208 Ca 0.00 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1th2 h HIS 208 Cb 0.00 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1th2 h HIS 208 CO 0.00 1.20 0.00 0.54 0.86 0.00 0.00 177.93 180.53 1th2 n ARG 209 N -3.46 0.11 -1.52 2.45 1.74 -1.26 -2.92 116.66 111.80 1th2 n ARG 209 Ca -0.07 0.52 -0.26 0.00 -0.77 0.00 0.00 57.85 57.27 1th2 n ARG 209 Cb 1.00 -1.80 0.08 0.00 -1.02 0.00 0.00 32.46 30.72 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 -2.02 2.73 -4.07 -1.55 8.25 -1.24 -4.33 115.22 112.98 1th2 n HIS 210 Ca 0.00 -2.45 -0.10 0.00 -0.26 0.00 0.00 57.72 54.91 1th2 n HIS 210 Cb 0.09 -0.86 -0.08 0.00 1.12 0.00 0.00 29.99 30.27 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 -3.63 1.28 0.36 -0.41 0.23 -1.15 -1.50 119.30 114.49 1th2 s MET 211 Ca 0.56 -1.38 0.04 0.00 -1.03 0.00 0.00 55.69 53.89 1th2 s MET 211 Cb 0.45 0.36 -0.01 0.00 -1.53 0.00 0.00 34.83 34.11 1th2 s MET 211 CO 0.02 -0.47 0.53 -0.51 -2.03 0.00 0.00 175.02 172.55 1th2 s ASP 212 N -3.06 5.96 -0.05 -1.18 1.01 -1.26 -4.12 116.67 113.97 1th2 s ASP 212 Ca 0.27 -0.00 0.06 0.00 0.71 0.00 0.00 52.55 53.58 1th2 s ASP 212 Cb 0.04 -1.40 -0.01 0.00 1.01 0.00 0.00 42.92 42.56 1th2 s ASP 212 CO 0.07 -0.48 -0.23 -0.83 0.21 0.00 0.00 175.17 173.91 1th2 s GLY 213 N -4.17 1.18 0.07 0.21 0.00 -0.40 -4.12 107.32 100.10 1th2 s GLY 213 Ca 0.45 -0.94 0.04 0.00 0.00 0.00 0.00 44.72 44.28 1th2 s GLY 213 CO 0.33 -0.55 -0.12 -0.19 0.00 0.00 0.00 173.10 172.57 1th2 s TYR 214 N -0.09 1.09 -1.77 1.90 1.51 0.21 -1.29 117.35 118.91 1th2 s TYR 214 Ca -0.04 -0.52 0.25 0.00 -1.01 0.00 0.00 57.07 55.76 1th2 s TYR 214 Cb -0.13 -0.61 0.56 0.00 -0.11 0.00 0.00 41.96 41.67 1th2 s TYR 214 CO 0.03 0.02 1.44 0.41 -1.11 0.00 0.00 175.55 176.35 1th2 n GLY 215 N 1.11 -0.51 5.09 0.71 0.00 -1.06 -1.09 105.19 109.43 1th2 n GLY 215 Ca -0.20 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.57 0.00 -4.56 1.61 7.64 -1.26 -4.79 113.62 111.70 1th2 n SER 216 Ca 0.11 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.61 1th2 n SER 216 Cb 0.37 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.62 1th2 n SER 216 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1th2 n HIS 217 N 0.00 0.20 -2.75 1.43 8.25 -1.26 -4.89 115.22 116.19 1th2 n HIS 217 Ca 0.00 0.44 -0.41 0.00 -0.26 0.00 0.00 57.72 57.48 1th2 n HIS 217 Cb 0.00 -2.06 -0.04 0.00 1.12 0.00 0.00 29.99 29.01 1th2 n HIS 217 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1th2 s THR 218 N -1.60 4.72 0.00 1.59 2.01 -1.26 -4.69 115.64 116.41 1th2 s THR 218 Ca 0.73 2.00 0.00 0.00 0.31 0.00 0.00 61.69 64.74 1th2 s THR 218 Cb -0.43 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 67.79 1th2 s THR 218 CO 0.50 0.24 0.00 0.49 -0.69 0.00 0.00 174.62 175.16 1th2 n PHE 219 N 3.36 -0.46 -3.78 4.92 3.72 0.12 -3.96 117.46 121.38 1th2 n PHE 219 Ca 0.04 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.30 1th2 n PHE 219 Cb 0.50 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.90 1th2 n PHE 219 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1th2 s LYS 220 N 0.09 0.09 0.03 -1.08 2.20 -0.29 -1.78 119.74 119.00 1th2 s LYS 220 Ca 0.00 0.28 0.09 0.00 -0.36 0.00 0.00 55.97 55.98 1th2 s LYS 220 Cb 0.00 -0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.18 1th2 s LYS 220 CO 0.00 -0.12 -0.25 -0.51 -0.36 0.00 0.00 175.35 174.11 1th2 s LEU 221 N 0.81 2.14 -0.06 5.43 1.43 0.62 -0.34 118.68 128.71 1th2 s LEU 221 Ca -0.06 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1th2 s LEU 221 Cb -0.08 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.91 1th2 s LEU 221 CO -0.04 0.26 -0.12 -0.69 0.23 0.00 0.00 176.35 175.99 1th2 s VAL 222 N -0.75 1.11 0.00 -1.59 1.01 -0.04 -1.05 120.40 119.08 1th2 s VAL 222 Ca 0.11 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1th2 s VAL 222 Cb -0.10 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.27 1th2 s VAL 222 CO 0.01 0.35 0.00 -0.46 0.00 0.00 0.00 175.10 175.00 1th2 n ASN 223 N 3.74 0.00 -0.04 3.32 0.23 -0.42 0.13 115.26 122.22 1th2 n ASN 223 Ca -0.22 -0.08 -0.13 0.00 -0.53 0.00 0.00 54.58 53.61 1th2 n ASN 223 Cb 0.52 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.14 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 -1.42 0.15 0.00 -2.53 0.00 -1.88 -3.07 119.26 110.51 1th2 h ALA 224 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1th2 h ALA 224 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1th2 h ALA 224 CO 0.00 0.05 0.00 -0.44 0.00 0.00 0.00 179.25 178.86 1th2 h ASP 225 N -0.16 0.00 0.00 0.00 3.32 -1.97 -3.45 116.42 114.16 1th2 h ASP 225 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1th2 h ASP 225 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1th2 h ASP 225 CO 0.03 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 1th2 n GLY 226 N -0.32 0.92 3.75 2.75 0.00 -1.16 -5.07 105.19 106.06 1th2 n GLY 226 Ca 0.01 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 1th2 n GLY 226 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1th2 s GLU 227 N -0.31 4.37 0.22 1.61 2.12 -1.26 -4.81 118.70 120.63 1th2 s GLU 227 Ca 0.00 0.79 0.08 0.00 0.36 0.00 0.00 54.97 56.20 1th2 s GLU 227 Cb 0.00 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 1th2 s GLU 227 CO 0.00 0.29 0.05 0.00 -0.54 0.00 0.00 175.26 175.06 1th2 s ALA 228 N 0.05 3.29 0.10 6.30 0.00 -1.26 -1.48 121.76 128.76 1th2 s ALA 228 Ca 0.33 -1.46 -0.16 0.00 0.00 0.00 0.00 51.96 50.67 1th2 s ALA 228 Cb -0.18 -1.01 0.03 0.00 0.00 0.00 0.00 23.12 21.96 1th2 s ALA 228 CO 0.18 0.37 0.38 0.14 0.00 0.00 0.00 175.76 176.83 1th2 s VAL 229 N -2.00 0.07 0.03 0.00 -7.23 -0.22 -4.82 120.40 106.24 1th2 s VAL 229 Ca 0.30 -0.60 -0.07 0.00 -1.81 0.00 0.00 61.98 59.81 1th2 s VAL 229 Cb -0.08 -1.11 -0.05 0.00 0.56 0.00 0.00 36.38 35.70 1th2 s VAL 229 CO 0.21 -0.33 0.30 -0.31 -0.31 0.00 0.00 175.10 174.66 1th2 s TYR 230 N -3.38 3.57 0.30 2.82 2.02 -0.79 -0.28 117.35 121.61 1th2 s TYR 230 Ca 0.00 0.59 -0.01 0.00 -0.37 0.00 0.00 57.07 57.28 1th2 s TYR 230 Cb 0.01 -2.01 -0.01 0.00 -0.40 0.00 0.00 41.96 39.55 1th2 s TYR 230 CO -0.09 0.58 0.36 0.00 -1.57 0.00 0.00 175.55 174.83 1th2 s LYS 232 N -3.51 0.27 -0.07 0.00 -0.14 -1.13 0.12 119.74 115.28 1th2 s LYS 232 Ca 0.33 0.10 -0.16 0.00 -1.36 0.00 0.00 55.97 54.88 1th2 s LYS 232 Cb 0.02 -0.49 -0.05 0.00 -1.68 0.00 0.00 37.83 35.63 1th2 s LYS 232 CO 0.19 -0.15 0.43 -0.06 -0.76 0.00 0.00 175.35 174.99 1th2 s PHE 233 N 1.12 3.61 -0.07 3.18 0.08 -1.26 -1.27 117.98 123.37 1th2 s PHE 233 Ca -0.08 0.91 -0.01 0.00 0.12 0.00 0.00 56.93 57.87 1th2 s PHE 233 Cb -0.13 -2.41 0.03 0.00 -0.57 0.00 0.00 43.02 39.93 1th2 s PHE 233 CO -0.02 0.40 -0.01 -1.01 -0.10 0.00 0.00 175.22 174.47 1th2 s HIS 234 N -0.19 0.74 -0.37 0.36 3.76 -0.72 -2.58 115.29 116.29 1th2 s HIS 234 Ca 0.24 -0.21 0.03 0.00 -0.15 0.00 0.00 55.06 54.96 1th2 s HIS 234 Cb -0.16 -0.79 0.11 0.00 1.11 0.00 0.00 32.58 32.85 1th2 s HIS 234 CO 0.11 -0.31 0.11 1.52 -0.85 0.00 0.00 174.74 175.33 1th2 s TYR 235 N 1.69 3.09 0.31 1.40 1.13 -0.41 0.23 117.35 124.79 1th2 s TYR 235 Ca 0.01 -2.73 -0.27 0.00 -1.41 0.00 0.00 57.07 52.67 1th2 s TYR 235 Cb -0.13 -2.57 -0.10 0.00 -1.10 0.00 0.00 41.96 38.06 1th2 s TYR 235 CO -0.04 -0.89 0.96 0.15 -2.51 0.00 0.00 175.55 173.22 1th2 s LYS 236 N 0.80 4.62 0.32 -3.49 -0.14 0.99 -1.27 119.74 121.56 1th2 s LYS 236 Ca 0.12 1.41 -0.28 0.00 -1.36 0.00 0.00 55.97 55.86 1th2 s LYS 236 Cb -0.20 -2.91 -0.09 0.00 -1.68 0.00 0.00 37.83 32.95 1th2 s LYS 236 CO -0.09 0.30 1.07 -0.08 -0.76 0.00 0.00 175.35 175.78 1th2 s THR 237 N -1.50 3.61 -2.49 2.17 -1.32 -1.26 0.46 115.64 115.31 1th2 s THR 237 Ca 0.48 1.49 0.23 0.00 -1.21 0.00 0.00 61.69 62.68 1th2 s THR 237 Cb -0.21 -3.89 0.42 0.00 -1.51 0.00 0.00 72.50 67.30 1th2 s THR 237 CO 0.27 0.25 1.48 0.47 -2.21 0.00 0.00 174.62 174.89 1th2 n ASP 238 N 0.80 2.42 -1.00 8.08 8.00 0.15 -3.70 116.55 131.30 1th2 n ASP 238 Ca 0.01 -1.82 0.12 0.00 0.71 0.00 0.00 54.79 53.81 1th2 n ASP 238 Cb 0.47 -0.12 0.12 0.00 -0.02 0.00 0.00 41.12 41.57 1th2 n ASP 238 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th2 n GLN 239 N 0.83 2.36 -0.53 -1.24 3.00 -1.26 -4.93 117.38 115.62 1th2 n GLN 239 Ca 0.17 -2.00 0.00 0.00 -0.01 0.00 0.00 57.00 55.16 1th2 n GLN 239 Cb 0.46 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 29.23 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 1.38 -3.58 3.65 1.08 0.00 -1.24 -4.84 105.19 101.64 1th2 n GLY 240 Ca 0.15 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.82 0.71 -3.73 -0.61 2.08 -1.26 -4.59 119.36 111.14 1th2 n ILE 241 Ca 0.00 -0.19 -0.24 0.00 0.56 0.00 0.00 62.75 62.88 1th2 n ILE 241 Cb 0.00 -2.36 -0.17 0.00 -0.75 0.00 0.00 39.64 36.35 1th2 n ILE 241 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1th2 s LYS 242 N 4.76 0.46 0.13 0.38 2.20 -0.56 -5.03 119.74 122.08 1th2 s LYS 242 Ca 0.91 -0.02 0.08 0.00 -0.36 0.00 0.00 55.97 56.57 1th2 s LYS 242 Cb -0.42 -1.33 -0.04 0.00 -1.51 0.00 0.00 37.83 34.53 1th2 s LYS 242 CO 0.41 -0.44 -0.12 -0.80 -0.36 0.00 0.00 175.35 174.04 1th2 s ASN 243 N 1.99 4.25 0.59 1.43 0.01 -1.26 -0.55 114.94 121.40 1th2 s ASN 243 Ca 0.03 -0.47 -0.02 0.00 -0.71 0.00 0.00 52.86 51.69 1th2 s ASN 243 Cb -0.14 -0.74 0.04 0.00 0.41 0.00 0.00 41.25 40.81 1th2 s ASN 243 CO -0.06 0.16 0.85 -0.76 -1.51 0.00 0.00 177.10 175.78 1th2 s LEU 244 N -2.36 3.16 0.27 0.60 1.43 0.87 -4.55 118.68 118.10 1th2 s LEU 244 Ca 0.22 0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.60 1th2 s LEU 244 Cb -0.10 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.06 1th2 s LEU 244 CO 0.13 -1.24 0.36 -0.94 0.23 0.00 0.00 176.35 174.89 1th2 s SER 245 N -4.42 6.10 0.25 2.29 1.04 -1.26 -4.80 113.70 112.89 1th2 s SER 245 Ca 0.57 -0.05 -0.03 0.00 0.48 0.00 0.00 55.95 56.91 1th2 s SER 245 Cb -0.10 -1.63 0.42 0.00 0.10 0.00 0.00 66.02 64.81 1th2 s SER 245 CO 0.41 -0.15 1.81 -0.37 0.98 0.00 0.00 173.24 175.91 1th2 h VAL 246 N 1.16 0.89 0.02 5.02 -1.51 -1.98 0.12 116.25 119.96 1th2 h VAL 246 Ca -0.50 -0.27 -0.25 0.00 -1.23 0.00 0.00 66.70 64.45 1th2 h VAL 246 Cb 1.24 0.03 0.01 0.00 -2.13 0.00 0.00 31.29 30.44 1th2 h VAL 246 CO 0.59 0.14 -1.03 -0.33 -1.23 0.00 0.00 177.57 175.71 1th2 h GLU 247 N 0.79 0.57 -0.21 5.19 3.07 -1.97 -0.46 114.58 121.56 1th2 h GLU 247 Ca 0.41 -0.64 -0.12 0.00 -0.50 0.00 0.00 59.36 58.52 1th2 h GLU 247 Cb 0.40 0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 1th2 h GLU 247 CO -0.26 1.25 -0.38 -0.44 -1.40 0.00 0.00 179.01 177.77 1th2 h ASP 248 N 0.31 0.49 0.07 1.42 3.32 -1.83 -0.11 116.42 120.10 1th2 h ASP 248 Ca -0.12 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 56.58 1th2 h ASP 248 Cb 1.68 -0.14 0.02 0.00 0.22 0.00 0.00 39.33 41.11 1th2 h ASP 248 CO 0.19 0.83 -0.61 0.00 -1.72 0.00 0.00 179.24 177.93 1th2 h ALA 249 N 1.20 -0.02 -0.67 3.45 0.00 -0.83 -1.81 119.26 120.58 1th2 h ALA 249 Ca 0.04 -0.61 0.15 0.00 0.00 0.00 0.00 54.91 54.49 1th2 h ALA 249 Cb 0.84 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1th2 h ALA 249 CO 0.07 0.30 0.46 0.00 0.00 0.00 0.00 179.25 180.08 1th2 h ALA 250 N 0.16 2.29 0.10 0.00 0.00 -0.96 0.54 119.26 121.40 1th2 h ALA 250 Ca -0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1th2 h ALA 250 Cb 1.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1th2 h ALA 250 CO 0.12 -0.47 -0.05 -0.09 0.00 0.00 0.00 179.25 178.75 1th2 h ARG 251 N 0.24 -0.13 0.00 0.00 2.43 -1.02 -3.25 114.38 112.65 1th2 h ARG 251 Ca 0.32 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1th2 h ARG 251 Cb 0.94 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1th2 h ARG 251 CO -0.07 0.28 0.17 -0.07 -1.51 0.00 0.00 179.97 178.77 1th2 h LEU 252 N -0.95 0.00 -0.87 3.80 3.38 -0.43 0.39 115.31 120.63 1th2 h LEU 252 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1th2 h LEU 252 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1th2 h LEU 252 CO 0.02 0.00 0.15 0.00 0.09 0.00 0.00 178.44 178.70 1th2 h ALA 253 N 1.67 1.08 0.00 1.53 0.00 0.01 -1.29 119.26 122.26 1th2 h ALA 253 Ca 0.00 -0.23 -0.36 0.00 0.00 0.00 0.00 54.91 54.32 1th2 h ALA 253 Cb 0.33 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1th2 h ALA 253 CO 0.00 0.61 -2.36 -2.39 0.00 0.00 0.00 179.25 175.11 1th2 n HIS 254 N -4.25 0.00 -0.20 0.00 1.44 0.72 -3.57 115.22 109.36 1th2 n HIS 254 Ca 0.05 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.69 1th2 n HIS 254 Cb 0.25 -0.93 0.03 0.00 0.12 0.00 0.00 29.99 29.45 1th2 n HIS 254 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1th2 h GLU 255 N 0.00 0.78 -1.62 -1.40 5.08 -0.50 -3.39 114.58 113.53 1th2 h GLU 255 Ca -0.54 -0.09 -0.31 0.00 -1.00 0.00 0.00 59.36 57.43 1th2 h GLU 255 Cb 1.89 -0.16 -0.26 0.00 0.50 0.00 0.00 28.75 30.72 1th2 h GLU 255 CO -0.07 0.60 -0.66 0.34 -1.00 0.00 0.00 179.01 178.22 1th2 s ASP 256 N -5.86 0.03 0.19 1.42 2.15 -0.50 -5.00 116.67 109.11 1th2 s ASP 256 Ca -0.13 -1.86 0.13 0.00 0.43 0.00 0.00 52.55 51.12 1th2 s ASP 256 Cb 0.12 0.95 0.68 0.00 -0.30 0.00 0.00 42.92 44.38 1th2 s ASP 256 CO 0.77 -0.16 1.37 -0.81 -0.17 0.00 0.00 175.17 176.16 1th2 n PRO 257 N 3.55 0.08 -0.72 4.34 -0.04 -1.10 -1.59 135.00 139.51 1th2 n PRO 257 Ca 0.18 0.57 -0.02 0.00 -0.04 0.00 0.00 63.50 64.19 1th2 n PRO 257 Cb 0.51 -1.80 0.22 0.00 -0.04 0.00 0.00 33.50 32.39 1th2 n PRO 257 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1th2 n ASP 258 N -1.94 3.13 -0.40 3.54 8.00 -1.26 -0.73 116.55 126.89 1th2 n ASP 258 Ca -0.01 -3.49 -0.07 0.00 0.71 0.00 0.00 54.79 51.93 1th2 n ASP 258 Cb 0.05 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 40.48 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 1.32 -1.57 -0.55 1.24 3.20 -1.61 -0.89 116.97 118.11 1th2 h TYR 259 Ca 0.18 0.12 0.03 0.00 3.14 0.00 0.00 58.73 62.20 1th2 h TYR 259 Cb 1.71 0.82 -0.04 0.00 1.54 0.00 0.00 36.73 40.76 1th2 h TYR 259 CO 0.90 -0.39 0.33 0.78 -1.64 0.00 0.00 178.16 178.14 1th2 h GLY 260 N -0.01 0.79 0.61 1.82 0.00 -1.88 0.26 103.07 104.66 1th2 h GLY 260 Ca 0.23 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1th2 h GLY 260 CO -0.95 0.20 -0.22 1.41 0.00 0.00 0.00 176.54 176.98 1th2 h LEU 261 N 0.64 -0.61 -0.55 3.11 3.38 -1.60 0.11 115.31 119.79 1th2 h LEU 261 Ca 0.23 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.20 1th2 h LEU 261 Cb 0.04 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1th2 h LEU 261 CO -0.11 -0.30 0.06 -0.09 0.09 0.00 0.00 178.44 178.09 1th2 h ARG 262 N -0.40 0.93 -0.24 1.13 2.43 -0.92 -0.55 114.38 116.75 1th2 h ARG 262 Ca 0.03 -0.27 0.01 0.00 -0.81 0.00 0.00 59.98 58.94 1th2 h ARG 262 Cb 0.43 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 1th2 h ARG 262 CO -0.13 0.92 0.15 0.22 -1.51 0.00 0.00 179.97 179.61 1th2 h ASP 263 N 0.82 0.24 -0.31 -3.80 3.58 -0.20 -1.37 116.42 115.38 1th2 h ASP 263 Ca 0.16 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 1th2 h ASP 263 Cb 0.46 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1th2 h ASP 263 CO 0.02 0.18 0.09 0.25 -2.88 0.00 0.00 179.24 176.89 1th2 h LEU 264 N 0.30 0.46 0.18 2.28 5.85 -0.65 -1.48 115.31 122.25 1th2 h LEU 264 Ca 0.09 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1th2 h LEU 264 Cb -0.01 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1th2 h LEU 264 CO -0.04 0.56 -0.12 0.15 -0.34 0.00 0.00 178.44 178.64 1th2 h PHE 265 N 0.34 -0.32 -0.53 1.25 3.57 -0.94 -2.81 116.94 117.51 1th2 h PHE 265 Ca 0.10 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.62 1th2 h PHE 265 Cb 0.27 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 1th2 h PHE 265 CO 0.01 -0.19 0.31 -0.91 -2.23 0.00 0.00 178.31 175.30 1th2 h ASN 266 N -0.30 0.50 -0.17 0.41 2.35 -1.23 0.26 115.58 117.39 1th2 h ASN 266 Ca -0.01 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1th2 h ASN 266 Cb 0.26 -0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.47 1th2 h ASN 266 CO 0.00 0.35 -0.27 0.00 -1.65 0.00 0.00 177.43 175.87 1th2 h ALA 267 N 1.24 -0.24 -0.23 -0.83 0.00 -1.15 -0.59 119.26 117.47 1th2 h ALA 267 Ca 0.22 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1th2 h ALA 267 Cb 0.04 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1th2 h ALA 267 CO -0.11 -0.72 -0.42 0.82 0.00 0.00 0.00 179.25 178.82 1th2 h ILE 268 N -0.31 1.30 0.00 0.00 2.04 -1.28 0.23 117.51 119.48 1th2 h ILE 268 Ca 0.11 -1.60 -0.01 0.00 1.00 0.00 0.00 64.86 64.36 1th2 h ILE 268 Cb 0.49 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1th2 h ILE 268 CO -0.35 0.50 -0.04 0.00 0.00 0.00 0.00 178.15 178.26 1th2 h ALA 269 N 1.08 1.18 -0.47 1.87 0.00 0.42 -1.28 119.26 122.06 1th2 h ALA 269 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1th2 h ALA 269 Cb 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1th2 h ALA 269 CO 0.08 0.05 0.00 0.25 0.00 0.00 0.00 179.25 179.64 1th2 n THR 270 N -3.39 0.79 -0.90 0.00 -2.24 -0.31 -4.94 114.28 103.29 1th2 n THR 270 Ca -0.02 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1th2 n THR 270 Cb 0.17 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 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 1.20 0.85 2.21 3.38 0.00 -0.48 -4.92 105.19 107.43 1th2 n GLY 271 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 6.15 -4.67 1.61 5.15 0.78 -4.95 115.26 119.33 1th2 n ASN 272 Ca 0.00 -2.76 -0.59 0.00 -0.60 0.00 0.00 54.58 50.64 1th2 n ASN 272 Cb 0.00 -1.37 -0.08 0.00 -0.53 0.00 0.00 39.78 37.80 1th2 n ASN 272 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1th2 n TYR 273 N 2.05 1.71 -1.76 1.20 4.01 -1.25 -4.41 117.16 118.71 1th2 n TYR 273 Ca 0.50 0.75 -0.31 0.00 -0.16 0.00 0.00 57.90 58.67 1th2 n TYR 273 Cb 0.69 -2.34 0.03 0.00 -0.31 0.00 0.00 39.34 37.41 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 2.35 3.22 0.15 -0.72 0.04 -1.24 -4.88 135.00 133.92 1th2 s PRO 274 Ca 0.96 0.93 -0.08 0.00 0.04 0.00 0.00 61.00 62.84 1th2 s PRO 274 Cb -1.16 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 31.34 1th2 s PRO 274 CO 0.64 -0.87 0.25 0.45 0.04 0.00 0.00 177.00 177.51 1th2 s SER 275 N -3.75 0.07 -0.07 6.66 0.15 -1.26 -2.60 113.70 112.90 1th2 s SER 275 Ca 0.58 -0.84 -0.08 0.00 0.70 0.00 0.00 55.95 56.31 1th2 s SER 275 Cb -0.13 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.61 1th2 s SER 275 CO 0.51 -0.85 0.22 0.26 1.20 0.00 0.00 173.24 174.58 1th2 s TRP 276 N -3.95 -0.22 0.10 3.44 0.51 0.09 -0.68 118.94 118.23 1th2 s TRP 276 Ca 0.15 0.53 -0.04 0.00 -2.12 0.00 0.00 56.10 54.62 1th2 s TRP 276 Cb 0.04 0.07 -0.05 0.00 -0.81 0.00 0.00 33.47 32.72 1th2 s TRP 276 CO -0.02 -0.13 0.32 0.99 -0.51 0.00 0.00 176.95 177.59 1th2 s THR 277 N -0.02 5.24 -0.13 2.01 2.01 0.17 0.47 115.64 125.38 1th2 s THR 277 Ca -0.01 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1th2 s THR 277 Cb -0.02 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 1th2 s THR 277 CO 0.00 0.13 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.68 1th2 s LEU 278 N -2.44 2.47 0.00 4.42 2.96 -0.62 -0.00 118.68 125.47 1th2 s LEU 278 Ca 0.37 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1th2 s LEU 278 Cb -0.13 -1.54 -0.00 0.00 0.50 0.00 0.00 46.19 45.02 1th2 s LEU 278 CO 0.24 0.14 0.02 -1.22 -1.32 0.00 0.00 176.35 174.21 1th2 n TYR 279 N 3.70 0.21 -3.98 5.38 4.02 0.63 0.86 117.16 127.97 1th2 n TYR 279 Ca -0.19 -0.77 -0.13 0.00 -0.01 0.00 0.00 57.90 56.81 1th2 n TYR 279 Cb 0.52 -0.05 -0.02 0.00 -0.02 0.00 0.00 39.34 39.77 1th2 n TYR 279 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1th2 s ILE 280 N -1.76 0.00 -0.31 -0.72 -0.00 -0.75 -1.75 121.20 115.92 1th2 s ILE 280 Ca 0.03 -1.38 -0.02 0.00 -0.00 0.00 0.00 60.65 59.29 1th2 s ILE 280 Cb 0.00 -2.73 0.12 0.00 -0.00 0.00 0.00 42.46 39.86 1th2 s ILE 280 CO 0.02 0.00 0.22 -1.10 -0.00 0.00 0.00 174.94 174.08 1th2 s GLN 281 N -2.78 0.32 0.28 0.37 -0.21 -0.40 -2.48 119.66 114.76 1th2 s GLN 281 Ca 0.25 -0.53 -0.29 0.00 0.02 0.00 0.00 55.36 54.81 1th2 s GLN 281 Cb -0.02 -0.96 -0.09 0.00 1.00 0.00 0.00 33.01 32.93 1th2 s GLN 281 CO 0.17 -1.06 1.07 0.08 -2.12 0.00 0.00 175.29 173.42 1th2 s VAL 282 N 2.00 3.61 -0.16 1.09 1.01 -1.26 -2.86 120.40 123.83 1th2 s VAL 282 Ca 0.11 1.61 -0.06 0.00 0.00 0.00 0.00 61.98 63.63 1th2 s VAL 282 Cb -0.16 -4.02 0.07 0.00 0.00 0.00 0.00 36.38 32.28 1th2 s VAL 282 CO -0.28 0.37 0.35 -0.32 0.00 0.00 0.00 175.10 175.22 1th2 s MET 283 N -1.44 0.26 0.53 2.72 0.00 0.17 -4.95 119.30 116.59 1th2 s MET 283 Ca 0.44 0.85 -0.19 0.00 0.00 0.00 0.00 55.69 56.79 1th2 s MET 283 Cb -0.30 0.11 -0.06 0.00 0.00 0.00 0.00 34.83 34.57 1th2 s MET 283 CO 0.39 -0.24 1.10 0.95 0.00 0.00 0.00 175.02 177.22 1th2 s THR 284 N 2.23 3.37 0.47 10.11 -4.23 -1.26 -1.88 115.64 124.45 1th2 s THR 284 Ca -0.03 0.84 0.13 0.00 -1.18 0.00 0.00 61.69 61.45 1th2 s THR 284 Cb -0.11 -3.33 0.28 0.00 1.34 0.00 0.00 72.50 70.67 1th2 s THR 284 CO -0.11 -0.20 2.10 -0.26 -0.54 0.00 0.00 174.62 175.61 1th2 h PHE 285 N 1.25 0.24 -0.26 3.99 -1.00 -1.97 0.66 116.94 119.85 1th2 h PHE 285 Ca -0.50 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.28 1th2 h PHE 285 Cb 1.25 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.72 1th2 h PHE 285 CO 0.53 0.15 0.11 0.77 -1.61 0.00 0.00 178.31 178.26 1th2 h SER 286 N 0.25 0.35 0.01 2.17 0.02 -1.99 0.12 113.55 114.48 1th2 h SER 286 Ca 0.09 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1th2 h SER 286 Cb 0.04 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1th2 h SER 286 CO -0.02 0.40 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.74 1th2 h GLU 287 N 0.27 -0.02 -0.65 3.45 5.08 -1.14 -1.22 114.58 120.35 1th2 h GLU 287 Ca 0.09 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.63 1th2 h GLU 287 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1th2 h GLU 287 CO -0.01 0.31 0.65 0.00 -1.00 0.00 0.00 179.01 178.96 1th2 h ALA 288 N 0.64 2.44 -0.19 3.43 0.00 0.37 2.91 119.26 128.84 1th2 h ALA 288 Ca -0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1th2 h ALA 288 Cb 0.34 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1th2 h ALA 288 CO 0.00 -0.98 -0.34 1.49 0.00 0.00 0.00 179.25 179.43 1th2 h GLU 289 N 0.00 0.57 0.21 0.00 4.57 0.40 -3.31 114.58 117.02 1th2 h GLU 289 Ca 0.31 -0.35 -0.32 0.00 -1.18 0.00 0.00 59.36 57.82 1th2 h GLU 289 Cb 1.59 0.04 0.03 0.00 -0.16 0.00 0.00 28.75 30.25 1th2 h GLU 289 CO -0.00 0.96 -1.39 0.82 -1.18 0.00 0.00 179.01 178.22 1th2 h ILE 290 N 0.23 1.35 -0.42 2.32 2.04 0.50 -3.47 117.51 120.05 1th2 h ILE 290 Ca 0.01 -2.79 -0.31 0.00 1.00 0.00 0.00 64.86 62.78 1th2 h ILE 290 Cb 0.93 2.99 0.03 0.00 -0.74 0.00 0.00 36.82 40.02 1th2 h ILE 290 CO 0.08 0.83 -0.09 0.33 0.00 0.00 0.00 178.15 179.29 1th2 n PHE 291 N -3.67 0.04 0.31 1.37 -0.00 0.59 -4.77 117.46 111.34 1th2 n PHE 291 Ca -0.14 0.43 0.16 0.00 -0.00 0.00 0.00 57.45 57.90 1th2 n PHE 291 Cb 1.07 -0.86 0.67 0.00 -0.00 0.00 0.00 39.48 40.36 1th2 n PHE 291 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1th2 h PRO 292 N 0.87 0.00 -5.30 -7.13 0.11 -1.91 -3.45 132.00 115.18 1th2 h PRO 292 Ca -0.17 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.44 1th2 h PRO 292 Cb 0.61 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.58 1th2 h PRO 292 CO 0.26 0.00 -0.61 -0.06 -0.21 0.00 0.00 178.00 177.38 1th2 s PHE 293 N -3.60 2.06 -0.19 0.65 0.08 -1.26 -5.07 117.98 110.65 1th2 s PHE 293 Ca 0.02 -0.90 -0.29 0.00 0.12 0.00 0.00 56.93 55.87 1th2 s PHE 293 Cb 0.09 -1.36 -0.05 0.00 -0.57 0.00 0.00 43.02 41.13 1th2 s PHE 293 CO 0.48 0.09 2.00 1.21 -0.10 0.00 0.00 175.22 178.89 1th2 s ASN 294 N -3.52 5.88 0.58 1.36 3.84 -1.26 -4.83 114.94 116.99 1th2 s ASN 294 Ca 0.36 1.90 0.27 0.00 0.21 0.00 0.00 52.86 55.61 1th2 s ASN 294 Cb 0.09 -2.52 1.69 0.00 -0.55 0.00 0.00 41.25 39.96 1th2 s ASN 294 CO 0.16 -1.62 2.19 -0.65 -2.79 0.00 0.00 177.10 174.39 1th2 h PRO 295 N 13.07 0.00 -0.47 0.43 0.11 -1.92 -1.47 132.00 141.75 1th2 h PRO 295 Ca -0.40 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.64 1th2 h PRO 295 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1th2 h PRO 295 CO 0.97 0.00 0.06 1.19 -0.21 0.00 0.00 178.00 180.01 1th2 n PHE 296 N -3.94 1.65 -2.82 0.65 3.72 -1.26 -4.71 117.46 110.75 1th2 n PHE 296 Ca -0.01 -0.97 -0.43 0.00 -0.05 0.00 0.00 57.45 55.99 1th2 n PHE 296 Cb 0.17 -0.48 -0.04 0.00 -0.94 0.00 0.00 39.48 38.20 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 -1.44 6.56 0.65 4.37 2.15 -0.56 -4.31 116.67 124.10 1th2 s ASP 297 Ca 0.49 0.29 0.40 0.00 0.43 0.00 0.00 52.55 54.16 1th2 s ASP 297 Cb 0.39 -2.45 2.19 0.00 -0.30 0.00 0.00 42.92 42.75 1th2 s ASP 297 CO 0.11 -0.97 2.28 0.25 -0.17 0.00 0.00 175.17 176.67 1th2 h LEU 298 N 10.37 0.00 -1.61 -1.34 5.85 -1.88 -2.48 115.31 124.22 1th2 h LEU 298 Ca -0.24 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1th2 h LEU 298 Cb 1.08 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1th2 h LEU 298 CO 1.01 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.46 1th2 n THR 299 N -3.20 0.66 -4.03 1.05 -2.24 -1.26 -2.73 114.28 102.52 1th2 n THR 299 Ca -0.03 -0.33 -0.09 0.00 -2.27 0.00 0.00 64.05 61.33 1th2 n THR 299 Cb 0.14 -0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.42 0.95 0.24 -0.78 1.02 -0.93 -4.90 119.74 113.91 1th2 s LYS 300 Ca 0.13 -1.24 0.11 0.00 0.02 0.00 0.00 55.97 54.99 1th2 s LYS 300 Cb 0.10 0.30 -0.05 0.00 -0.52 0.00 0.00 37.83 37.66 1th2 s LYS 300 CO 0.04 -0.29 -0.20 0.14 -0.92 0.00 0.00 175.35 174.11 1th2 s VAL 301 N -3.97 2.29 -0.59 3.17 -7.23 -1.26 -4.83 120.40 107.97 1th2 s VAL 301 Ca 0.16 -2.26 -0.19 0.00 -1.81 0.00 0.00 61.98 57.89 1th2 s VAL 301 Cb 0.06 -2.19 0.11 0.00 0.56 0.00 0.00 36.38 34.92 1th2 s VAL 301 CO -0.03 -0.37 0.69 0.26 -0.31 0.00 0.00 175.10 175.35 1th2 s TRP 302 N -2.37 3.03 0.18 2.82 0.51 -1.26 -5.03 118.94 116.82 1th2 s TRP 302 Ca 0.26 -1.01 -0.31 0.00 -2.12 0.00 0.00 56.10 52.91 1th2 s TRP 302 Cb -0.05 -4.00 -0.16 0.00 -0.81 0.00 0.00 33.47 28.45 1th2 s TRP 302 CO 0.12 -1.27 0.89 -2.30 -0.51 0.00 0.00 176.95 173.89 1th2 n PRO 303 N 6.20 0.61 -0.32 4.98 -0.02 -1.26 -4.71 135.00 140.48 1th2 n PRO 303 Ca -0.09 0.22 -0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1th2 n PRO 303 Cb 0.42 -1.51 0.17 0.00 -0.02 0.00 0.00 33.50 32.56 1th2 n PRO 303 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1th2 h HIS 304 N 2.21 1.14 -0.54 6.00 3.86 -1.96 0.11 115.15 125.96 1th2 h HIS 304 Ca -0.38 0.03 0.11 0.00 -1.16 0.00 0.00 60.37 58.96 1th2 h HIS 304 Cb 1.39 -0.38 -0.10 0.00 1.06 0.00 0.00 27.41 29.37 1th2 h HIS 304 CO 0.49 0.69 -0.16 0.78 0.86 0.00 0.00 177.93 180.59 1th2 h GLY 305 N 1.21 0.35 1.30 2.45 0.00 -1.99 -1.26 103.07 105.13 1th2 h GLY 305 Ca 0.35 0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.80 1th2 h GLY 305 CO -0.09 -0.21 -0.95 -0.55 0.00 0.00 0.00 176.54 174.74 1th2 h ASP 306 N -0.02 0.00 -3.33 0.19 3.32 -1.87 -3.41 116.42 111.30 1th2 h ASP 306 Ca 0.26 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.71 1th2 h ASP 306 Cb 0.42 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.57 1th2 h ASP 306 CO -0.57 0.32 -0.75 -0.31 -1.72 0.00 0.00 179.24 176.21 1th2 s TYR 307 N -3.10 1.80 0.70 4.55 2.02 0.35 -5.07 117.35 118.61 1th2 s TYR 307 Ca 0.00 -2.19 -0.14 0.00 -0.37 0.00 0.00 57.07 54.38 1th2 s TYR 307 Cb 0.08 -1.75 0.02 0.00 -0.40 0.00 0.00 41.96 39.91 1th2 s TYR 307 CO 0.78 -0.81 1.12 -2.14 -1.57 0.00 0.00 175.55 172.92 1th2 s PRO 308 N 0.72 2.53 -0.19 -1.71 0.02 -0.82 -3.97 135.00 131.57 1th2 s PRO 308 Ca 0.16 1.38 -0.17 0.00 0.02 0.00 0.00 61.00 62.38 1th2 s PRO 308 Cb -0.23 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 1th2 s PRO 308 CO -0.05 -1.46 0.47 -0.51 -0.33 0.00 0.00 177.00 175.12 1th2 s LEU 309 N -5.22 4.17 -0.12 -5.54 1.02 -1.26 -4.59 118.68 107.14 1th2 s LEU 309 Ca 0.66 0.64 -0.14 0.00 0.02 0.00 0.00 54.13 55.31 1th2 s LEU 309 Cb -0.21 -2.64 -0.05 0.00 0.02 0.00 0.00 46.19 43.32 1th2 s LEU 309 CO 0.46 -0.12 0.33 -0.63 0.02 0.00 0.00 176.35 176.40 1th2 s ILE 310 N 1.39 5.25 0.25 -0.59 1.09 -1.04 -4.85 121.20 122.71 1th2 s ILE 310 Ca 0.22 0.63 -0.30 0.00 -1.10 0.00 0.00 60.65 60.11 1th2 s ILE 310 Cb -0.15 -3.65 -0.09 0.00 -1.06 0.00 0.00 42.46 37.51 1th2 s ILE 310 CO 0.09 0.44 1.12 -2.16 -0.10 0.00 0.00 174.94 174.33 1th2 s PRO 311 N 0.02 4.61 -0.04 2.79 0.04 -1.26 -1.81 135.00 139.34 1th2 s PRO 311 Ca 0.19 1.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.97 1th2 s PRO 311 Cb -0.14 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.16 1th2 s PRO 311 CO 0.07 0.15 -0.15 0.28 0.04 0.00 0.00 177.00 177.38 1th2 n VAL 312 N 1.54 1.17 -2.19 -0.36 0.31 0.25 -4.67 118.33 114.38 1th2 n VAL 312 Ca 0.00 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1th2 n VAL 312 Cb 0.45 -1.85 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 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 2.55 2.11 3.18 2.92 0.00 -1.18 -1.77 105.19 113.00 1th2 n GLY 313 Ca -0.10 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 1th2 n GLY 313 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1th2 s LYS 314 N 1.24 1.18 -0.37 1.61 2.20 0.17 -1.59 119.74 124.17 1th2 s LYS 314 Ca 0.00 -0.77 -0.05 0.00 -0.36 0.00 0.00 55.97 54.80 1th2 s LYS 314 Cb 0.00 -1.21 0.08 0.00 -1.51 0.00 0.00 37.83 35.18 1th2 s LYS 314 CO 0.00 0.31 0.15 -0.51 -0.36 0.00 0.00 175.35 174.94 1th2 s LEU 315 N -0.95 4.74 -0.09 5.43 1.43 0.17 -0.37 118.68 129.05 1th2 s LEU 315 Ca 0.05 -1.58 -0.00 0.00 -1.03 0.00 0.00 54.13 51.56 1th2 s LEU 315 Cb -0.08 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1th2 s LEU 315 CO 0.01 -0.44 -0.05 -0.69 0.23 0.00 0.00 176.35 175.41 1th2 s VAL 316 N 1.27 3.82 -0.23 -1.59 1.01 -0.23 -0.73 120.40 123.73 1th2 s VAL 316 Ca 0.02 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1th2 s VAL 316 Cb -0.22 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.62 1th2 s VAL 316 CO -0.01 0.58 -0.14 -0.76 0.00 0.00 0.00 175.10 174.77 1th2 s LEU 317 N -0.61 2.88 -0.00 3.92 1.43 -1.07 -0.32 118.68 124.91 1th2 s LEU 317 Ca 0.09 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.16 1th2 s LEU 317 Cb -0.12 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.57 1th2 s LEU 317 CO 0.02 -0.11 0.59 -0.46 0.23 0.00 0.00 176.35 176.62 1th2 n ASN 318 N 4.54 0.33 -3.89 2.29 0.23 -1.15 -3.64 115.26 113.97 1th2 n ASN 318 Ca -0.17 -1.17 -0.23 0.00 -0.53 0.00 0.00 54.58 52.47 1th2 n ASN 318 Cb 0.46 -0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 37.99 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 -0.17 1.08 0.34 -3.83 3.52 0.12 -4.97 118.95 115.05 1th2 s ARG 319 Ca 0.00 -0.14 -0.12 0.00 -0.13 0.00 0.00 55.73 55.34 1th2 s ARG 319 Cb 0.00 -1.13 -0.08 0.00 -1.56 0.00 0.00 34.95 32.18 1th2 s ARG 319 CO 0.00 -0.15 0.71 -0.80 -0.81 0.00 0.00 175.30 174.25 1th2 s ASN 320 N 1.29 6.64 0.43 -2.12 0.01 -1.26 -0.22 114.94 119.71 1th2 s ASN 320 Ca -0.04 1.15 -0.25 0.00 -0.71 0.00 0.00 52.86 53.00 1th2 s ASN 320 Cb -0.14 -2.32 -0.08 0.00 0.41 0.00 0.00 41.25 39.12 1th2 s ASN 320 CO -0.02 -0.26 1.29 -2.16 -1.51 0.00 0.00 177.10 174.43 1th2 s PRO 321 N -3.31 3.86 -0.15 -0.60 0.04 -1.26 -4.87 135.00 128.71 1th2 s PRO 321 Ca 0.52 2.11 -0.22 0.00 0.04 0.00 0.00 61.00 63.44 1th2 s PRO 321 Cb -0.10 -2.66 -0.20 0.00 0.04 0.00 0.00 34.50 31.58 1th2 s PRO 321 CO 0.24 -0.57 0.47 0.28 0.04 0.00 0.00 177.00 177.46 1th2 h VAL 322 N 2.28 1.24 -3.64 -0.36 2.07 -1.98 -3.43 116.25 112.42 1th2 h VAL 322 Ca -0.50 -2.06 -0.67 0.00 0.82 0.00 0.00 66.70 64.30 1th2 h VAL 322 Cb 1.25 2.46 -0.36 0.00 -1.52 0.00 0.00 31.29 33.12 1th2 h VAL 322 CO 0.62 0.42 -0.82 0.21 0.02 0.00 0.00 177.57 178.02 1th2 s ASN 323 N -6.27 4.08 0.23 0.57 3.84 -1.26 -5.03 114.94 111.09 1th2 s ASN 323 Ca -0.19 -1.19 -0.08 0.00 0.21 0.00 0.00 52.86 51.61 1th2 s ASN 323 Cb -0.00 -1.52 0.25 0.00 -0.55 0.00 0.00 41.25 39.43 1th2 s ASN 323 CO 0.55 -0.14 1.87 0.22 -2.79 0.00 0.00 177.10 176.81 1th2 h TYR 324 N 7.82 0.97 0.30 0.43 3.20 -1.98 -2.17 116.97 125.54 1th2 h TYR 324 Ca -0.26 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.62 1th2 h TYR 324 Cb 1.07 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.02 1th2 h TYR 324 CO 0.59 0.55 -0.15 0.35 -1.64 0.00 0.00 178.16 177.86 1th2 h PHE 325 N 1.00 -0.38 0.00 -3.82 3.57 -1.95 0.29 116.94 115.65 1th2 h PHE 325 Ca 0.33 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 1th2 h PHE 325 Cb 0.03 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1th2 h PHE 325 CO -0.03 -0.05 -0.04 0.00 -2.23 0.00 0.00 178.31 175.97 1th2 h ALA 326 N -0.21 1.11 0.00 2.41 0.00 -1.97 -2.21 119.26 118.39 1th2 h ALA 326 Ca -0.04 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1th2 h ALA 326 Cb 0.50 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1th2 h ALA 326 CO 0.07 0.05 -1.59 0.39 0.00 0.00 0.00 179.25 178.16 1th2 n GLU 327 N -3.29 2.19 -0.06 0.00 1.02 -0.82 -4.56 120.64 115.12 1th2 n GLU 327 Ca -0.02 0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.03 1th2 n GLU 327 Cb 0.19 -1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.40 1.33 -0.28 2.62 0.31 0.93 -3.99 118.33 116.84 1th2 n VAL 328 Ca -0.15 0.11 0.08 0.00 -0.01 0.00 0.00 64.34 64.37 1th2 n VAL 328 Cb 0.76 -2.03 0.23 0.00 -0.91 0.00 0.00 33.84 31.89 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 -0.69 0.43 0.00 5.55 4.57 -1.17 -0.17 114.58 123.10 1th2 h GLU 329 Ca -0.12 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1th2 h GLU 329 Cb 0.87 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1th2 h GLU 329 CO -0.07 0.28 -0.03 1.04 -1.18 0.00 0.00 179.01 179.05 1th2 n GLN 330 N -5.01 0.25 -1.62 1.92 6.02 -0.84 -4.87 117.38 113.23 1th2 n GLN 330 Ca 0.17 0.20 -0.43 0.00 -0.01 0.00 0.00 57.00 56.93 1th2 n GLN 330 Cb 0.49 -1.78 -0.00 0.00 1.02 0.00 0.00 30.24 29.97 1th2 n GLN 330 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1th2 n LEU 331 N -2.22 2.36 -3.59 1.08 4.77 -0.08 -4.89 117.00 114.44 1th2 n LEU 331 Ca 0.06 1.14 -0.22 0.00 -0.03 0.00 0.00 56.01 56.96 1th2 n LEU 331 Cb 0.43 -1.35 -0.16 0.00 -2.33 0.00 0.00 43.42 40.01 1th2 n LEU 331 CO 0.30 -1.26 -0.28 0.00 -1.33 0.00 0.00 177.39 174.82 1th2 s ALA 332 N -1.14 0.10 -0.25 -1.18 0.00 -1.26 -5.03 121.76 113.00 1th2 s ALA 332 Ca 0.59 0.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.52 1th2 s ALA 332 Cb -0.63 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 1th2 s ALA 332 CO 0.60 -1.00 0.15 -0.06 0.00 0.00 0.00 175.76 175.45 1th2 s PHE 333 N 2.22 3.23 -0.32 0.00 0.40 -1.26 -4.98 117.98 117.27 1th2 s PHE 333 Ca 0.04 0.05 -0.07 0.00 -0.60 0.00 0.00 56.93 56.35 1th2 s PHE 333 Cb -0.15 -2.30 0.02 0.00 0.51 0.00 0.00 43.02 41.10 1th2 s PHE 333 CO -0.09 -0.10 0.10 -0.51 0.70 0.00 0.00 175.22 175.33 1th2 s ASP 334 N 1.41 5.26 0.56 1.36 1.01 -1.26 -4.89 116.67 120.12 1th2 s ASP 334 Ca 0.07 -0.84 0.31 0.00 0.71 0.00 0.00 52.55 52.80 1th2 s ASP 334 Cb -0.15 -1.90 1.46 0.00 1.01 0.00 0.00 42.92 43.35 1th2 s ASP 334 CO 0.07 -0.25 1.87 -0.65 0.21 0.00 0.00 175.17 176.42 1th2 h PRO 335 N 8.26 0.00 0.00 8.23 0.11 -1.84 0.26 132.00 147.02 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 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1th2 h PRO 335 CO 0.61 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.27 1th2 n SER 336 N -4.04 0.00 -4.54 -2.05 3.41 -1.26 -4.44 113.62 100.70 1th2 n SER 336 Ca 0.15 0.50 -0.42 0.00 -0.26 0.00 0.00 58.87 58.85 1th2 n SER 336 Cb 0.89 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 1th2 n SER 336 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1th2 s ASN 337 N -3.00 6.56 -0.09 4.04 0.02 0.91 -4.93 114.94 118.45 1th2 s ASN 337 Ca 0.07 -1.67 0.00 0.00 -1.02 0.00 0.00 52.86 50.24 1th2 s ASN 337 Cb 0.09 -2.54 0.02 0.00 0.02 0.00 0.00 41.25 38.84 1th2 s ASN 337 CO 0.25 -1.39 -0.07 -0.04 0.02 0.00 0.00 177.10 175.87 1th2 s MET 338 N 4.47 1.32 0.94 -0.60 -1.94 -1.26 -1.32 119.30 120.92 1th2 s MET 338 Ca 0.45 -0.21 -0.12 0.00 -1.71 0.00 0.00 55.69 54.09 1th2 s MET 338 Cb -0.00 -1.34 0.15 0.00 2.01 0.00 0.00 34.83 35.65 1th2 s MET 338 CO -0.08 -0.18 1.11 -2.14 -0.01 0.00 0.00 175.02 173.72 1th2 s PRO 339 N 1.41 0.90 0.02 2.03 0.02 -1.26 -4.82 135.00 133.29 1th2 s PRO 339 Ca -0.02 0.44 -0.34 0.00 0.02 0.00 0.00 61.00 61.11 1th2 s PRO 339 Cb -0.13 -1.80 -0.12 0.00 0.02 0.00 0.00 34.50 32.46 1th2 s PRO 339 CO -0.04 -2.39 1.78 -2.30 -0.33 0.00 0.00 177.00 173.71 1th2 n PRO 340 N -3.93 2.23 0.00 5.54 -0.02 -1.26 -1.52 135.00 136.04 1th2 n PRO 340 Ca 0.06 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1th2 n PRO 340 Cb 0.58 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1th2 n PRO 340 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1th2 n GLY 341 N 4.05 1.58 3.10 -1.23 0.00 -1.26 -3.86 105.19 107.56 1th2 n GLY 341 Ca 0.20 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.44 1.91 0.22 -0.61 1.01 -0.58 -0.86 121.20 121.85 1th2 s ILE 342 Ca 0.00 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 59.84 1th2 s ILE 342 Cb 0.00 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 1th2 s ILE 342 CO 0.00 0.52 -0.05 -1.61 0.00 0.00 0.00 174.94 173.80 1th2 s GLU 343 N 1.28 1.33 0.31 2.79 2.02 0.53 -4.32 118.70 122.64 1th2 s GLU 343 Ca 0.03 -1.65 -0.05 0.00 0.02 0.00 0.00 54.97 53.32 1th2 s GLU 343 Cb -0.13 -0.79 0.07 0.00 0.10 0.00 0.00 34.13 33.39 1th2 s GLU 343 CO -0.11 -0.01 0.31 -0.35 0.02 0.00 0.00 175.26 175.12 1th2 n PRO 344 N -0.41 -1.24 -4.20 0.39 -0.04 -1.26 -1.14 135.00 127.10 1th2 n PRO 344 Ca -0.06 -0.48 -0.12 0.00 -0.04 0.00 0.00 63.50 62.79 1th2 n PRO 344 Cb 0.63 -0.41 -0.10 0.00 -0.04 0.00 0.00 33.50 33.57 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 -2.29 1.17 0.00 3.54 1.04 -1.25 -4.05 113.70 111.87 1th2 s SER 345 Ca 0.19 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1th2 s SER 345 Cb -0.01 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1th2 s SER 345 CO 0.14 -0.51 0.26 -2.65 0.98 0.00 0.00 173.24 171.46 1th2 n PRO 346 N -0.13 0.24 -2.35 4.02 -0.02 -1.26 -4.62 135.00 130.88 1th2 n PRO 346 Ca -0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.96 1th2 n PRO 346 Cb 0.62 -1.38 -0.02 0.00 -0.02 0.00 0.00 33.50 32.69 1th2 n PRO 346 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1th2 s ASP 347 N 1.08 6.84 0.16 2.55 -1.08 -1.26 -4.91 116.67 120.05 1th2 s ASP 347 Ca 0.00 1.70 -0.19 0.00 -0.52 0.00 0.00 52.55 53.54 1th2 s ASP 347 Cb 0.00 -2.54 0.06 0.00 -1.46 0.00 0.00 42.92 38.99 1th2 s ASP 347 CO 0.00 -0.85 1.66 0.11 0.52 0.00 0.00 175.17 176.61 1th2 h LYS 348 N 8.66 -0.06 0.24 4.34 1.57 -1.78 0.37 116.57 129.91 1th2 h LYS 348 Ca -0.28 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1th2 h LYS 348 Cb 1.11 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1th2 h LYS 348 CO 0.98 -0.04 -0.28 0.52 -0.57 0.00 0.00 179.45 180.06 1th2 h MET 349 N -0.06 -0.55 -0.27 3.15 2.86 -1.86 -2.33 114.93 115.87 1th2 h MET 349 Ca 0.17 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.88 1th2 h MET 349 Cb 0.32 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1th2 h MET 349 CO -0.38 -0.37 0.06 1.25 1.06 0.00 0.00 176.91 178.53 1th2 h LEU 350 N -0.57 0.02 -0.77 1.22 5.85 -1.81 -2.49 115.31 116.76 1th2 h LEU 350 Ca -0.00 0.04 0.16 0.00 0.84 0.00 0.00 57.88 58.92 1th2 h LEU 350 Cb 0.54 0.05 -0.14 0.00 0.37 0.00 0.00 40.66 41.48 1th2 h LEU 350 CO -0.08 0.05 -0.16 1.56 -0.34 0.00 0.00 178.44 179.46 1th2 h GLN 351 N 0.16 0.01 -0.70 1.25 1.08 -0.01 0.25 115.11 117.16 1th2 h GLN 351 Ca 0.12 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1th2 h GLN 351 Cb 0.12 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1th2 h GLN 351 CO -0.16 0.01 0.39 0.78 -0.95 0.00 0.00 178.83 178.91 1th2 h GLY 352 N 0.01 1.02 1.46 3.46 0.00 -0.97 -2.57 103.07 105.48 1th2 h GLY 352 Ca 0.38 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1th2 h GLY 352 CO -0.78 0.42 0.27 3.21 0.00 0.00 0.00 176.54 179.66 1th2 h ARG 353 N 0.96 0.71 -1.02 4.80 3.08 -0.30 -1.85 114.38 120.77 1th2 h ARG 353 Ca 0.25 -0.07 0.25 0.00 0.07 0.00 0.00 59.98 60.48 1th2 h ARG 353 Cb 0.00 -0.14 -0.11 0.00 0.08 0.00 0.00 29.97 29.80 1th2 h ARG 353 CO -0.04 0.54 0.63 -0.07 -1.07 0.00 0.00 179.97 179.96 1th2 h LEU 354 N 0.72 0.57 0.10 3.04 3.38 -0.99 -2.36 115.31 119.77 1th2 h LEU 354 Ca 0.18 0.11 -0.18 0.00 0.09 0.00 0.00 57.88 58.08 1th2 h LEU 354 Cb 0.04 0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1th2 h LEU 354 CO -0.03 0.11 -0.87 0.15 0.09 0.00 0.00 178.44 177.89 1th2 h PHE 355 N 0.50 0.37 -0.32 1.13 3.57 -1.47 -3.42 116.94 117.31 1th2 h PHE 355 Ca 0.62 -0.27 0.02 0.00 3.53 0.00 0.00 57.97 61.87 1th2 h PHE 355 Cb 1.34 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.04 1th2 h PHE 355 CO -0.00 1.34 0.16 0.00 -2.23 0.00 0.00 178.31 177.57 1th2 h ALA 356 N -0.02 0.39 0.46 2.41 0.00 -0.99 -2.96 119.26 118.55 1th2 h ALA 356 Ca -0.18 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1th2 h ALA 356 Cb 1.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1th2 h ALA 356 CO 0.07 -0.22 -0.22 1.88 0.00 0.00 0.00 179.25 180.76 1th2 h TYR 357 N 0.33 -0.57 -0.18 0.00 -1.99 -1.77 -0.54 116.97 112.24 1th2 h TYR 357 Ca 0.13 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.80 1th2 h TYR 357 Cb 0.04 0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 1th2 h TYR 357 CO -0.10 -0.30 -0.10 -1.35 -0.00 0.00 0.00 178.16 176.31 1th2 h PRO 358 N -0.74 0.28 0.72 4.88 0.11 -1.82 -0.58 132.00 134.85 1th2 h PRO 358 Ca -0.06 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.95 1th2 h PRO 358 Cb 0.53 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1th2 h PRO 358 CO 0.10 0.40 -0.38 0.22 -0.21 0.00 0.00 178.00 178.13 1th2 h ASP 359 N 0.27 -0.92 -0.40 -2.05 3.58 -1.33 -0.80 116.42 114.77 1th2 h ASP 359 Ca 0.06 0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.47 1th2 h ASP 359 Cb 0.35 0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.64 1th2 h ASP 359 CO 0.02 -0.62 -0.01 0.00 -2.88 0.00 0.00 179.24 175.75 1th2 h THR 360 N -1.01 1.24 -0.81 2.25 1.03 -0.98 -2.32 112.91 112.31 1th2 h THR 360 Ca -0.09 -1.01 0.05 0.00 -0.01 0.00 0.00 66.41 65.35 1th2 h THR 360 Cb 0.79 0.89 -0.05 0.00 -1.07 0.00 0.00 68.15 68.71 1th2 h THR 360 CO 0.13 0.36 0.53 0.45 -0.01 0.00 0.00 175.52 176.98 1th2 h HIS 361 N 0.74 0.93 0.00 0.00 3.86 -0.93 0.60 115.15 120.35 1th2 h HIS 361 Ca 0.14 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1th2 h HIS 361 Cb 0.46 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 1th2 h HIS 361 CO 0.02 0.51 -0.03 0.00 0.86 0.00 0.00 177.93 179.29 1th2 h ARG 362 N 0.93 0.00 0.00 2.45 3.08 -0.56 -1.18 114.38 119.10 1th2 h ARG 362 Ca 0.34 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 60.01 1th2 h ARG 362 Cb 0.16 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 1th2 h ARG 362 CO -0.11 0.03 -2.42 1.58 -1.07 0.00 0.00 179.97 177.97 1th2 n HIS 363 N -3.33 0.00 -0.00 3.04 -0.00 0.16 -2.97 115.22 112.12 1th2 n HIS 363 Ca -0.02 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 57.99 1th2 n HIS 363 Cb 0.15 -0.98 -0.10 0.00 -0.12 0.00 0.00 29.99 28.94 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 0.00 0.46 0.00 1.57 2.43 -0.04 -3.40 114.38 115.39 1th2 h ARG 364 Ca -0.56 -0.45 -0.38 0.00 -0.81 0.00 0.00 59.98 57.77 1th2 h ARG 364 Cb 1.98 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 31.59 1th2 h ARG 364 CO -0.05 1.10 -2.40 1.28 -1.51 0.00 0.00 179.97 178.39 1th2 n LEU 365 N -4.20 2.69 0.00 3.80 4.77 -0.53 -4.42 117.00 119.11 1th2 n LEU 365 Ca -0.10 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1th2 n LEU 365 Cb 0.66 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1th2 n LEU 365 CO 0.47 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.96 1th2 n GLY 366 N 2.09 3.97 0.41 -0.72 0.00 -0.68 -4.80 105.19 105.46 1th2 n GLY 366 Ca -0.45 -1.62 0.21 0.00 0.00 0.00 0.00 46.02 44.16 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 0.24 -0.88 1.61 0.11 -1.81 -1.86 132.00 129.41 1th2 h PRO 367 Ca 0.00 -0.01 -0.40 0.00 0.11 0.00 0.00 66.00 65.69 1th2 h PRO 367 Cb 0.00 -0.06 -0.24 0.00 0.11 0.00 0.00 31.00 30.81 1th2 h PRO 367 CO 0.00 0.16 0.50 0.09 -0.21 0.00 0.00 178.00 178.54 1th2 n ASN 368 N -4.43 4.05 -0.18 -2.05 5.03 -1.26 -4.71 115.26 111.71 1th2 n ASN 368 Ca 0.17 -3.49 0.29 0.00 0.87 0.00 0.00 54.58 52.42 1th2 n ASN 368 Cb 0.73 -0.80 0.73 0.00 -1.02 0.00 0.00 39.78 39.42 1th2 n ASN 368 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.26 175.53 1th2 h TYR 369 N 1.56 0.00 0.00 3.10 -0.00 -1.64 0.22 116.97 120.20 1th2 h TYR 369 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.23 1th2 h TYR 369 Cb 2.64 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 39.37 1th2 h TYR 369 CO 1.47 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.91 1th2 n LEU 370 N -4.26 0.30 -0.31 0.10 4.77 -1.26 -1.25 117.00 115.09 1th2 n LEU 370 Ca 0.19 0.59 0.14 0.00 -0.03 0.00 0.00 56.01 56.89 1th2 n LEU 370 Cb 0.97 -0.56 0.62 0.00 -2.33 0.00 0.00 43.42 42.12 1th2 n LEU 370 CO 0.39 -0.46 0.92 0.00 -1.33 0.00 0.00 177.39 176.91 1th2 n GLN 371 N -1.85 1.43 -2.73 3.23 6.02 0.78 -2.99 117.38 121.26 1th2 n GLN 371 Ca 0.02 -0.63 -0.41 0.00 -0.01 0.00 0.00 57.00 55.97 1th2 n GLN 371 Cb 0.16 -1.45 -0.04 0.00 1.02 0.00 0.00 30.24 29.93 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 -1.97 4.66 0.06 5.09 1.01 -0.38 -4.81 121.20 124.86 1th2 s ILE 372 Ca 0.39 2.06 -0.12 0.00 0.00 0.00 0.00 60.65 62.97 1th2 s ILE 372 Cb 0.20 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 1th2 s ILE 372 CO 0.32 0.25 1.17 -2.65 0.00 0.00 0.00 174.94 174.04 1th2 n PRO 373 N 3.25 -0.17 0.24 2.79 -0.02 -1.26 0.57 135.00 140.40 1th2 n PRO 373 Ca 0.04 1.16 0.15 0.00 -2.02 0.00 0.00 63.50 62.83 1th2 n PRO 373 Cb 0.50 -1.73 0.68 0.00 -0.02 0.00 0.00 33.50 32.93 1th2 n PRO 373 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1th2 h VAL 374 N 0.00 0.09 0.00 -1.45 3.04 -1.91 -0.64 116.25 115.39 1th2 h VAL 374 Ca 0.06 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.67 1th2 h VAL 374 Cb 0.16 0.54 -0.02 0.00 -2.01 0.00 0.00 31.29 29.97 1th2 h VAL 374 CO -0.37 0.00 -1.98 0.59 -1.01 0.00 0.00 177.57 174.80 1th2 n ASN 375 N -3.06 0.56 -4.76 3.17 3.02 0.14 -4.89 115.26 109.43 1th2 n ASN 375 Ca 0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 1th2 n ASN 375 Cb 0.58 1.64 -0.01 0.00 -0.61 0.00 0.00 39.78 41.38 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 1.40 3.25 0.04 0.00 -0.04 -1.26 -4.77 135.00 133.62 1th2 n PRO 377 Ca 0.04 -3.22 0.03 0.00 -0.04 0.00 0.00 63.50 60.31 1th2 n PRO 377 Cb 0.39 -3.16 0.14 0.00 -0.04 0.00 0.00 33.50 30.83 1th2 n PRO 377 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1th2 n TYR 378 N 5.66 0.18 -1.30 0.54 0.18 -1.26 -1.78 117.16 119.38 1th2 n TYR 378 Ca 0.45 0.09 -0.15 0.00 1.88 0.00 0.00 57.90 60.17 1th2 n TYR 378 Cb 0.40 -0.61 0.20 0.00 -0.38 0.00 0.00 39.34 38.94 1th2 n TYR 378 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1th2 n ARG 379 N -1.66 2.19 -3.66 -3.48 1.74 -1.26 -4.94 116.66 105.59 1th2 n ARG 379 Ca -0.00 -3.08 -0.11 0.00 -0.77 0.00 0.00 57.85 53.88 1th2 n ARG 379 Cb 0.05 -2.04 -0.05 0.00 -1.02 0.00 0.00 32.46 29.39 1th2 n ARG 379 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1th2 s ALA 380 N -3.26 -0.92 -0.43 7.54 0.00 -0.73 -3.50 121.76 120.46 1th2 s ALA 380 Ca 0.52 0.08 -0.13 0.00 0.00 0.00 0.00 51.96 52.43 1th2 s ALA 380 Cb 0.45 0.52 0.05 0.00 0.00 0.00 0.00 23.12 24.15 1th2 s ALA 380 CO 0.07 -0.55 0.31 0.50 0.00 0.00 0.00 175.76 176.09 1th2 s ARG 381 N -3.20 2.87 -0.45 0.00 6.06 -1.26 -4.91 118.95 118.05 1th2 s ARG 381 Ca -0.01 -1.24 -0.29 0.00 -2.50 0.00 0.00 55.73 51.69 1th2 s ARG 381 Cb 0.01 -3.95 0.02 0.00 0.06 0.00 0.00 34.95 31.09 1th2 s ARG 381 CO -0.08 -0.89 1.33 0.08 -2.50 0.00 0.00 175.30 173.25 1th2 s VAL 382 N 1.59 3.97 -0.10 7.11 1.01 -1.26 -4.98 120.40 127.75 1th2 s VAL 382 Ca 0.04 0.97 -0.01 0.00 0.00 0.00 0.00 61.98 62.98 1th2 s VAL 382 Cb -0.22 -4.35 0.03 0.00 0.00 0.00 0.00 36.38 31.84 1th2 s VAL 382 CO 0.07 -0.89 -0.05 0.00 0.00 0.00 0.00 175.10 174.23 1th2 s ALA 383 N 5.23 1.10 0.06 5.51 0.00 -1.26 -5.03 121.76 127.37 1th2 s ALA 383 Ca 0.56 -0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 1th2 s ALA 383 Cb -0.11 -0.83 0.02 0.00 0.00 0.00 0.00 23.12 22.20 1th2 s ALA 383 CO 0.32 -0.40 0.26 0.27 0.00 0.00 0.00 175.76 176.21 1th2 n ASN 384 N 4.94 -0.50 -1.81 0.00 0.23 -1.26 -4.95 115.26 111.92 1th2 n ASN 384 Ca -0.11 -1.28 -0.19 0.00 -0.53 0.00 0.00 54.58 52.46 1th2 n ASN 384 Cb 0.50 0.81 0.14 0.00 -2.08 0.00 0.00 39.78 39.15 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 -0.18 2.29 -4.09 -2.53 4.02 -1.26 -4.97 117.16 110.44 1th2 n TYR 385 Ca -0.01 -2.10 -0.33 0.00 -0.01 0.00 0.00 57.90 55.45 1th2 n TYR 385 Cb 0.16 -0.79 -0.07 0.00 -0.02 0.00 0.00 39.34 38.61 1th2 n TYR 385 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1th2 s GLN 386 N -3.46 3.12 0.24 -0.72 -0.21 -1.26 -4.87 119.66 112.49 1th2 s GLN 386 Ca 0.53 -0.44 -0.08 0.00 0.02 0.00 0.00 55.36 55.39 1th2 s GLN 386 Cb 0.45 -2.90 -0.02 0.00 1.00 0.00 0.00 33.01 31.54 1th2 s GLN 386 CO 0.03 0.66 0.35 1.03 -2.12 0.00 0.00 175.29 175.24 1th2 s ARG 387 N -1.63 1.44 5.77 2.91 1.81 -1.26 -4.95 118.95 123.03 1th2 s ARG 387 Ca 0.22 -1.42 0.00 0.00 -1.72 0.00 0.00 55.73 52.81 1th2 s ARG 387 Cb -0.12 0.40 0.00 0.00 -0.45 0.00 0.00 34.95 34.78 1th2 s ARG 387 CO 0.13 -0.56 0.00 -0.25 -0.68 0.00 0.00 175.30 173.94 1th2 n ASP 388 N -0.40 0.00 0.00 0.23 9.92 -1.26 -5.04 116.55 120.00 1th2 n ASP 388 Ca -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1th2 n ASP 388 Cb 0.63 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 1th2 n ASP 388 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1th2 n GLY 389 N 0.00 -1.56 3.63 0.44 0.00 -1.26 -4.75 105.19 101.68 1th2 n GLY 389 Ca 0.00 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.27 1th2 n GLY 389 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1th2 n PRO 390 N -0.48 1.12 -3.64 1.61 -0.04 -1.26 -3.66 135.00 128.65 1th2 n PRO 390 Ca 0.00 0.42 -0.26 0.00 -0.04 0.00 0.00 63.50 63.62 1th2 n PRO 390 Cb 0.00 -2.19 0.04 0.00 -0.04 0.00 0.00 33.50 31.31 1th2 n PRO 390 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1th2 n MET 391 N -0.70 -2.47 -2.75 0.54 2.81 -1.26 -4.33 117.12 108.95 1th2 n MET 391 Ca 0.12 0.55 -0.42 0.00 -1.81 0.00 0.00 57.70 56.14 1th2 n MET 391 Cb 0.45 -4.68 -0.04 0.00 -0.71 0.00 0.00 33.22 28.24 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 8.04 -0.16 0.00 0.00 2.81 -1.26 -4.89 117.12 121.66 1th2 n MET 393 Ca 0.01 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1th2 n MET 393 Cb 0.47 -0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.98 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 -1.08 0.00 0.00 0.03 2.81 -1.26 -3.85 117.12 113.77 1th2 n MET 394 Ca 0.00 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.02 1th2 n MET 394 Cb 0.00 0.00 0.33 0.00 -0.71 0.00 0.00 33.22 32.84 1th2 n MET 394 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1th2 n ASP 395 N -3.57 1.52 -2.52 7.83 5.68 -1.26 -4.94 116.55 119.30 1th2 n ASP 395 Ca 0.00 -1.27 -0.15 0.00 -0.50 0.00 0.00 54.79 52.87 1th2 n ASP 395 Cb 0.00 0.14 0.05 0.00 -1.14 0.00 0.00 41.12 40.18 1th2 n ASP 395 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1th2 n ASN 396 N -0.12 -4.54 -3.14 -1.12 5.15 -1.25 -2.18 115.26 108.07 1th2 n ASN 396 Ca 0.14 -0.36 -0.22 0.00 -0.60 0.00 0.00 54.58 53.54 1th2 n ASN 396 Cb 0.40 -3.45 0.01 0.00 -0.53 0.00 0.00 39.78 36.20 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 -3.39 -3.92 0.00 1.20 6.02 -1.26 -4.73 117.38 111.31 1th2 n GLN 397 Ca -0.02 0.67 0.00 0.00 -0.01 0.00 0.00 57.00 57.65 1th2 n GLN 397 Cb 0.55 -5.44 0.00 0.00 1.02 0.00 0.00 30.24 26.37 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 -1.29 1.88 2.22 1.08 0.00 -0.93 -2.25 105.19 105.90 1th2 n GLY 398 Ca -0.07 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 5.82 3.87 -0.02 0.00 -1.26 -5.01 105.19 108.60 1th2 n GLY 399 Ca 0.00 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 1th2 n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th2 s ALA 400 N -3.72 3.24 -0.04 4.61 0.00 -0.95 -4.97 121.76 119.93 1th2 s ALA 400 Ca 0.61 -0.15 -0.37 0.00 0.00 0.00 0.00 51.96 52.05 1th2 s ALA 400 Cb 0.48 -2.85 -0.15 0.00 0.00 0.00 0.00 23.12 20.60 1th2 s ALA 400 CO 0.01 -0.26 1.59 -2.30 0.00 0.00 0.00 175.76 174.81 1th2 n PRO 401 N -1.82 1.48 0.00 0.00 -0.02 -1.26 -4.89 135.00 128.49 1th2 n PRO 401 Ca 0.04 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 62.17 1th2 n PRO 401 Cb 0.54 -2.25 0.13 0.00 -0.02 0.00 0.00 33.50 31.90 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 4.23 1.30 -4.78 2.55 6.94 -1.26 -4.86 115.26 119.37 1th2 n ASN 402 Ca 0.21 -1.04 -0.31 0.00 -0.02 0.00 0.00 54.58 53.43 1th2 n ASN 402 Cb 0.20 0.44 -0.06 0.00 -2.36 0.00 0.00 39.78 38.00 1th2 n ASN 402 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1th2 s TYR 403 N -2.67 3.21 -0.03 -2.53 1.13 -1.26 -4.73 117.35 110.48 1th2 s TYR 403 Ca 0.17 0.09 0.00 0.00 -1.41 0.00 0.00 57.07 55.93 1th2 s TYR 403 Cb 0.18 -1.64 0.03 0.00 -1.10 0.00 0.00 41.96 39.43 1th2 s TYR 403 CO 0.63 0.53 0.00 -0.47 -2.51 0.00 0.00 175.55 173.74 1th2 s TYR 404 N -1.38 0.28 0.97 -3.49 5.04 -1.26 -3.94 117.35 113.57 1th2 s TYR 404 Ca 0.29 0.02 -0.14 0.00 -2.44 0.00 0.00 57.07 54.80 1th2 s TYR 404 Cb -0.12 -0.39 0.17 0.00 0.35 0.00 0.00 41.96 41.97 1th2 s TYR 404 CO 0.22 -0.13 1.16 -1.25 -1.34 0.00 0.00 175.55 174.21 1th2 s PRO 405 N 1.05 0.64 0.22 4.97 0.04 -1.26 -5.20 135.00 135.47 1th2 s PRO 405 Ca -0.09 0.12 0.02 0.00 0.04 0.00 0.00 61.00 61.09 1th2 s PRO 405 Cb -0.13 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.60 1th2 s PRO 405 CO -0.02 -2.50 0.25 0.27 0.04 0.00 0.00 177.00 175.04 1th2 n ASN 406 N -3.94 -0.67 -0.28 6.66 0.23 -1.25 -5.07 115.26 110.93 1th2 n ASN 406 Ca 0.09 -2.35 0.04 0.00 -0.53 0.00 0.00 54.58 51.83 1th2 n ASN 406 Cb 0.59 1.37 0.06 0.00 -2.08 0.00 0.00 39.78 39.72 1th2 n ASN 406 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1th2 n SER 407 N -1.98 1.05 -2.22 0.53 7.64 -1.26 -4.84 113.62 112.54 1th2 n SER 407 Ca 0.03 -2.41 -0.27 0.00 1.01 0.00 0.00 58.87 57.23 1th2 n SER 407 Cb 0.39 -0.28 0.02 0.00 -1.01 0.00 0.00 64.21 63.34 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 -0.62 2.99 -3.60 1.43 3.01 -1.26 -4.99 117.46 114.43 1th2 n PHE 408 Ca 0.07 -2.55 -0.26 0.00 1.01 0.00 0.00 57.45 55.72 1th2 n PHE 408 Cb 0.65 -0.45 0.04 0.00 -0.01 0.00 0.00 39.48 39.71 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 -0.67 -5.66 -4.47 4.37 7.64 -1.26 -4.89 113.62 108.68 1th2 n SER 409 Ca 0.45 -0.88 -0.24 0.00 1.01 0.00 0.00 58.87 59.21 1th2 n SER 409 Cb 0.82 -3.50 -0.10 0.00 -1.01 0.00 0.00 64.21 60.42 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 -3.35 2.75 0.03 -0.43 0.00 -1.26 -5.02 121.76 114.49 1th2 s ALA 410 Ca 0.36 -1.88 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 1th2 s ALA 410 Cb -0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 1th2 s ALA 410 CO 0.85 0.28 0.07 -2.30 0.00 0.00 0.00 175.76 174.65 1th2 n PRO 411 N -0.61 0.00 -4.57 0.00 -0.02 -1.26 -4.99 135.00 123.55 1th2 n PRO 411 Ca -0.05 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.16 1th2 n PRO 411 Cb 0.60 -0.14 -0.09 0.00 -0.02 0.00 0.00 33.50 33.85 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 -0.14 1.92 0.00 -0.52 2.02 -1.26 -5.00 118.70 115.72 1th2 s GLU 412 Ca 0.09 -2.16 0.00 0.00 0.02 0.00 0.00 54.97 52.92 1th2 s GLU 412 Cb -0.12 -1.03 0.00 0.00 0.10 0.00 0.00 34.13 33.08 1th2 s GLU 412 CO 0.08 -0.32 0.00 -2.39 0.02 0.00 0.00 175.26 172.65 1th2 n HIS 413 N -0.94 -0.16 -2.66 1.61 1.44 -1.26 -5.07 115.22 108.18 1th2 n HIS 413 Ca -0.08 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.59 1th2 n HIS 413 Cb 0.66 0.00 0.08 0.00 0.12 0.00 0.00 29.99 30.86 1th2 n HIS 413 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1th2 n GLN 414 N 0.00 0.06 -0.50 -1.40 1.13 -1.26 -5.02 117.38 110.40 1th2 n GLN 414 Ca 0.00 -0.59 0.43 0.00 -1.94 0.00 0.00 57.00 54.89 1th2 n GLN 414 Cb 0.00 -0.11 0.67 0.00 0.11 0.00 0.00 30.24 30.91 1th2 n GLN 414 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1th2 h PRO 415 N 2.92 0.00 -0.00 -1.09 0.11 -2.00 2.51 132.00 134.45 1th2 h PRO 415 Ca -0.26 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.70 1th2 h PRO 415 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1th2 h PRO 415 CO -0.21 0.00 -0.70 0.66 -0.21 0.00 0.00 178.00 177.54 1th2 h SER 416 N 0.00 0.01 -0.81 -2.05 4.64 -2.03 -3.20 113.55 110.12 1th2 h SER 416 Ca 0.75 -0.01 -0.46 0.00 -0.47 0.00 0.00 61.79 61.60 1th2 h SER 416 Cb 3.39 -0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 65.24 1th2 h SER 416 CO -0.01 0.71 0.59 0.00 -0.87 0.00 0.00 176.83 177.25 1th2 n ALA 417 N -2.41 5.32 -2.21 5.18 0.00 0.84 -4.96 120.51 122.28 1th2 n ALA 417 Ca -0.01 -2.51 -0.30 0.00 0.00 0.00 0.00 53.44 50.63 1th2 n ALA 417 Cb 0.68 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 1th2 n ALA 417 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1th2 s LEU 418 N -2.82 3.79 1.13 0.00 1.43 -1.21 -4.94 118.68 116.07 1th2 s LEU 418 Ca 0.48 1.09 -0.16 0.00 -1.03 0.00 0.00 54.13 54.51 1th2 s LEU 418 Cb 0.40 -3.98 0.25 0.00 0.03 0.00 0.00 46.19 42.89 1th2 s LEU 418 CO 0.06 -0.43 1.08 -1.61 0.23 0.00 0.00 176.35 175.67 1th2 s GLU 419 N -4.03 -0.65 -0.22 1.70 8.01 -1.26 -4.97 118.70 117.28 1th2 s GLU 419 Ca 0.50 0.31 -0.09 0.00 0.01 0.00 0.00 54.97 55.70 1th2 s GLU 419 Cb -0.10 -1.63 -0.04 0.00 -4.31 0.00 0.00 34.13 28.04 1th2 s GLU 419 CO 0.34 -3.41 0.11 -1.58 0.01 0.00 0.00 175.26 170.73 1th2 s HIS 420 N -2.86 3.28 -0.31 1.61 5.65 -1.26 -5.06 115.29 116.35 1th2 s HIS 420 Ca 0.68 0.12 -0.22 0.00 0.25 0.00 0.00 55.06 55.89 1th2 s HIS 420 Cb -0.16 -2.19 -0.00 0.00 -1.18 0.00 0.00 32.58 29.05 1th2 s HIS 420 CO 0.58 0.08 0.71 -0.98 -0.65 0.00 0.00 174.74 174.48 1th2 s ARG 421 N 0.79 3.91 0.37 2.88 1.70 -1.26 -5.04 118.95 122.30 1th2 s ARG 421 Ca 0.06 0.42 0.08 0.00 -0.47 0.00 0.00 55.73 55.82 1th2 s ARG 421 Cb -0.13 -3.74 -0.04 0.00 -0.57 0.00 0.00 34.95 30.48 1th2 s ARG 421 CO 0.02 -0.64 0.24 0.99 -1.08 0.00 0.00 175.30 174.83 1th2 s THR 422 N 2.80 2.86 0.10 4.99 2.01 -1.26 -5.14 115.64 122.00 1th2 s THR 422 Ca 0.29 -1.55 0.07 0.00 0.31 0.00 0.00 61.69 60.80 1th2 s THR 422 Cb -0.14 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1th2 s THR 422 CO 0.12 -0.09 -0.08 -2.28 -0.69 0.00 0.00 174.62 171.60 1th2 s HIS 423 N -2.46 2.79 -0.04 4.92 2.46 -1.26 -5.12 115.29 116.59 1th2 s HIS 423 Ca 0.42 -0.13 -0.06 0.00 0.47 0.00 0.00 55.06 55.76 1th2 s HIS 423 Cb -0.02 -1.45 0.01 0.00 -0.13 0.00 0.00 32.58 30.99 1th2 s HIS 423 CO 0.25 0.44 0.14 -0.06 -2.47 0.00 0.00 174.74 173.04 1th2 s PHE 424 N -1.25 -0.08 0.07 3.88 0.08 -1.26 -5.17 117.98 114.24 1th2 s PHE 424 Ca 0.22 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.48 1th2 s PHE 424 Cb -0.11 0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.31 1th2 s PHE 424 CO 0.15 -0.15 -0.05 0.45 -0.10 0.00 0.00 175.22 175.52 1th2 s SER 425 N -0.45 0.74 0.00 1.36 0.15 -1.26 -5.13 113.70 109.10 1th2 s SER 425 Ca -0.05 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.64 1th2 s SER 425 Cb -0.04 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1th2 s SER 425 CO 0.01 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1th2 n GLY 426 N 0.19 3.51 3.65 9.45 0.00 -1.26 -5.04 105.19 115.70 1th2 n GLY 426 Ca -0.14 -1.72 -0.48 0.00 0.00 0.00 0.00 46.02 43.68 1th2 n GLY 426 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1th2 n ASP 427 N 0.00 2.77 -4.56 1.61 8.00 -1.26 -4.84 116.55 118.27 1th2 n ASP 427 Ca 0.00 1.08 -0.37 0.00 0.71 0.00 0.00 54.79 56.21 1th2 n ASP 427 Cb 0.00 -1.35 -0.03 0.00 -0.02 0.00 0.00 41.12 39.71 1th2 n ASP 427 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1th2 s VAL 428 N 1.24 3.65 0.16 2.53 1.01 -1.26 -4.88 120.40 122.85 1th2 s VAL 428 Ca 0.82 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.64 1th2 s VAL 428 Cb -0.76 -4.57 -0.00 0.00 0.00 0.00 0.00 36.38 31.05 1th2 s VAL 428 CO 0.42 -1.49 0.18 0.00 0.00 0.00 0.00 175.10 174.21 1th2 n GLN 429 N 9.07 0.26 -3.19 2.72 10.64 -1.26 -5.11 117.38 130.51 1th2 n GLN 429 Ca 0.24 -1.40 -0.44 0.00 -1.83 0.00 0.00 57.00 53.57 1th2 n GLN 429 Cb 0.50 1.24 -0.06 0.00 -0.86 0.00 0.00 30.24 31.06 1th2 n GLN 429 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1th2 s ARG 430 N -2.49 3.08 -0.27 2.61 0.52 -1.26 -5.03 118.95 116.11 1th2 s ARG 430 Ca 0.16 -1.07 -0.21 0.00 -0.52 0.00 0.00 55.73 54.10 1th2 s ARG 430 Cb 0.00 -4.14 -0.01 0.00 0.52 0.00 0.00 34.95 31.31 1th2 s ARG 430 CO 0.11 -1.26 0.64 -0.06 0.02 0.00 0.00 175.30 174.75 1th2 s PHE 431 N 2.47 3.26 -0.57 -0.53 0.40 -1.26 -5.00 117.98 116.74 1th2 s PHE 431 Ca 0.12 0.76 -0.26 0.00 -0.60 0.00 0.00 56.93 56.95 1th2 s PHE 431 Cb -0.21 -2.91 -0.05 0.00 0.51 0.00 0.00 43.02 40.36 1th2 s PHE 431 CO 0.10 -0.38 2.16 1.21 0.70 0.00 0.00 175.22 179.00 1th2 s ASN 432 N 1.53 4.78 -0.17 1.36 2.47 -1.26 -4.81 114.94 118.84 1th2 s ASN 432 Ca 0.26 0.65 0.07 0.00 0.42 0.00 0.00 52.86 54.26 1th2 s ASN 432 Cb -0.15 -2.52 0.46 0.00 -1.45 0.00 0.00 41.25 37.59 1th2 s ASN 432 CO 0.10 -2.72 1.31 -1.54 -3.72 0.00 0.00 177.10 170.53 1th2 n SER 433 N 14.66 3.69 -0.01 -4.21 3.41 -1.26 -4.52 113.62 125.38 1th2 n SER 433 Ca 0.30 -2.65 0.02 0.00 -0.26 0.00 0.00 58.87 56.28 1th2 n SER 433 Cb 0.53 -0.63 0.35 0.00 -0.26 0.00 0.00 64.21 64.19 1th2 n SER 433 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th2 h ALA 434 N 2.71 1.52 -1.65 7.33 0.00 -2.03 -3.32 119.26 123.82 1th2 h ALA 434 Ca 0.10 -0.12 -0.60 0.00 0.00 0.00 0.00 54.91 54.30 1th2 h ALA 434 Cb 1.56 -0.17 -0.42 0.00 0.00 0.00 0.00 17.79 18.77 1th2 h ALA 434 CO 0.38 0.37 -0.66 0.09 0.00 0.00 0.00 179.25 179.43 1th2 n ASN 435 N -4.37 4.75 -1.28 0.00 4.13 -1.26 -4.76 115.26 112.46 1th2 n ASN 435 Ca 0.03 -3.72 -0.06 0.00 1.68 0.00 0.00 54.58 52.51 1th2 n ASN 435 Cb 0.15 -0.50 0.06 0.00 -1.54 0.00 0.00 39.78 37.96 1th2 n ASN 435 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1th2 n ASP 436 N -0.44 3.09 -1.05 6.41 9.92 -1.25 -4.86 116.55 128.37 1th2 n ASP 436 Ca 0.38 -2.43 0.00 0.00 -0.53 0.00 0.00 54.79 52.21 1th2 n ASP 436 Cb 0.60 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 40.49 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 0.05 -1.52 -2.29 -2.24 2.03 -1.26 -4.89 116.55 106.44 1th2 n ASP 437 Ca 0.16 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.18 1th2 n ASP 437 Cb 0.79 -0.76 0.03 0.00 -0.72 0.00 0.00 41.12 40.46 1th2 n ASP 437 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1th2 n ASN 438 N 0.00 5.72 0.06 1.67 3.02 -1.26 -4.70 115.26 119.77 1th2 n ASN 438 Ca 0.00 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.79 1th2 n ASN 438 Cb 0.00 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 1th2 n ASN 438 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1th2 n VAL 439 N -0.68 0.00 0.00 2.41 0.24 -1.26 -4.81 118.33 114.23 1th2 n VAL 439 Ca 0.48 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.78 1th2 n VAL 439 Cb 0.76 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 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 -2.82 0.00 0.08 3.34 -1.04 -1.26 0.98 114.28 113.56 1th2 n THR 440 Ca 0.00 0.53 0.20 0.00 -2.04 0.00 0.00 64.05 62.74 1th2 n THR 440 Cb 0.00 -0.83 0.75 0.00 -1.82 0.00 0.00 70.33 68.42 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 0.00 -0.15 -2.82 4.20 -1.95 0.17 115.11 114.56 1th2 h GLN 441 Ca 0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 1th2 h GLN 441 Cb 0.00 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.79 1th2 h GLN 441 CO 0.00 0.00 -0.76 0.28 -0.67 0.00 0.00 178.83 177.68 1th2 h VAL 442 N 0.00 1.29 0.09 -0.54 2.07 -1.11 -1.89 116.25 116.16 1th2 h VAL 442 Ca 0.20 -1.98 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 1th2 h VAL 442 Cb 1.01 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1th2 h VAL 442 CO -0.00 0.63 -0.06 -0.09 0.02 0.00 0.00 177.57 178.06 1th2 h ARG 443 N 0.51 -0.15 -0.17 1.57 2.43 0.36 -0.88 114.38 118.05 1th2 h ARG 443 Ca -0.05 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1th2 h ARG 443 Cb 1.39 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.96 1th2 h ARG 443 CO 0.15 -0.10 0.11 0.00 -1.51 0.00 0.00 179.97 178.63 1th2 h THR 444 N -0.15 1.07 -0.10 0.20 1.03 -1.40 -1.95 112.91 111.60 1th2 h THR 444 Ca -0.00 -0.15 0.03 0.00 -0.01 0.00 0.00 66.41 66.28 1th2 h THR 444 Cb 0.14 0.86 -0.06 0.00 -1.07 0.00 0.00 68.15 68.01 1th2 h THR 444 CO -0.00 0.06 -0.49 0.15 -0.01 0.00 0.00 175.52 175.23 1th2 h PHE 445 N 0.21 -1.42 -0.95 0.00 3.57 -1.16 0.76 116.94 117.95 1th2 h PHE 445 Ca 0.06 0.05 0.20 0.00 3.53 0.00 0.00 57.97 61.81 1th2 h PHE 445 Cb 0.01 0.64 -0.08 0.00 2.79 0.00 0.00 35.95 39.30 1th2 h PHE 445 CO -0.06 -0.52 0.61 -0.92 -2.23 0.00 0.00 178.31 175.19 1th2 h TYR 446 N -0.57 0.77 0.00 0.41 3.20 -0.87 -1.89 116.97 118.02 1th2 h TYR 446 Ca 0.05 0.02 -0.30 0.00 3.14 0.00 0.00 58.73 61.64 1th2 h TYR 446 Cb 0.67 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.65 1th2 h TYR 446 CO -0.53 0.19 -2.15 1.28 -1.64 0.00 0.00 178.16 175.31 1th2 n LEU 447 N -4.61 2.44 -0.07 2.82 4.77 -0.76 -4.26 117.00 117.32 1th2 n LEU 447 Ca 0.21 -0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 1th2 n LEU 447 Cb 0.64 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1th2 n LEU 447 CO 0.27 0.76 -0.08 0.11 -1.33 0.00 0.00 177.39 177.12 1th2 h LYS 448 N 0.00 0.00 -0.12 3.23 1.79 0.46 -3.39 116.57 118.53 1th2 h LYS 448 Ca -0.45 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 57.87 1th2 h LYS 448 Cb 1.76 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.40 1th2 h LYS 448 CO -0.05 0.49 -0.57 0.28 -1.08 0.00 0.00 179.45 178.52 1th2 h VAL 449 N -1.00 1.35 -3.22 0.50 2.07 -1.39 -3.44 116.25 111.12 1th2 h VAL 449 Ca -0.08 -1.88 -0.56 0.00 0.82 0.00 0.00 66.70 65.00 1th2 h VAL 449 Cb 0.67 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.30 1th2 h VAL 449 CO -0.05 0.57 -0.25 -0.76 0.02 0.00 0.00 177.57 177.10 1th2 s LEU 450 N -8.12 4.23 0.47 2.57 1.43 -0.75 -5.06 118.68 113.45 1th2 s LEU 450 Ca -0.05 0.67 0.06 0.00 -1.03 0.00 0.00 54.13 53.77 1th2 s LEU 450 Cb 0.12 -3.41 -0.01 0.00 0.03 0.00 0.00 46.19 42.91 1th2 s LEU 450 CO 0.82 -0.00 0.25 0.54 0.23 0.00 0.00 176.35 178.18 1th2 s ASN 451 N -2.50 4.50 0.32 2.29 2.20 -1.26 -4.55 114.94 115.95 1th2 s ASN 451 Ca 0.43 -1.19 0.07 0.00 -0.94 0.00 0.00 52.86 51.23 1th2 s ASN 451 Cb -0.12 -0.04 0.76 0.00 -2.00 0.00 0.00 41.25 39.86 1th2 s ASN 451 CO 0.24 -0.79 1.80 -0.08 -2.94 0.00 0.00 177.10 175.34 1th2 h GLU 452 N 1.15 0.73 -0.17 3.55 4.57 -1.94 -1.51 114.58 120.96 1th2 h GLU 452 Ca -0.41 -0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 57.54 1th2 h GLU 452 Cb 1.28 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1th2 h GLU 452 CO 0.65 0.48 -0.64 1.05 -1.18 0.00 0.00 179.01 179.37 1th2 h GLU 453 N 0.75 0.73 -0.32 1.92 4.11 -1.99 -1.54 114.58 118.23 1th2 h GLU 453 Ca 0.54 -0.56 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 1th2 h GLU 453 Cb 0.87 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1th2 h GLU 453 CO -0.32 1.18 0.07 1.96 0.07 0.00 0.00 179.01 181.97 1th2 h GLN 454 N 0.44 0.47 -0.30 1.06 4.20 -1.84 -0.66 115.11 118.48 1th2 h GLN 454 Ca -0.03 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.48 1th2 h GLN 454 Cb 1.27 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 1th2 h GLN 454 CO 0.13 0.44 -0.35 0.00 -0.67 0.00 0.00 178.83 178.38 1th2 h ARG 455 N 0.46 0.67 -0.42 1.46 3.08 -1.17 -0.31 114.38 118.15 1th2 h ARG 455 Ca 0.11 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1th2 h ARG 455 Cb 0.19 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1th2 h ARG 455 CO -0.00 0.92 0.27 -0.22 -1.07 0.00 0.00 179.97 179.86 1th2 h LYS 456 N 0.56 0.56 0.05 0.04 3.64 -0.11 -2.63 116.57 118.68 1th2 h LYS 456 Ca 0.06 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1th2 h LYS 456 Cb 0.86 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1th2 h LYS 456 CO 0.07 0.39 -0.03 0.00 -2.27 0.00 0.00 179.45 177.62 1th2 h ARG 457 N 0.56 -0.07 -0.78 1.90 3.08 -1.00 -2.80 114.38 115.27 1th2 h ARG 457 Ca 0.15 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.34 1th2 h ARG 457 Cb -0.04 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 29.89 1th2 h ARG 457 CO -0.03 0.26 -0.34 1.25 -1.07 0.00 0.00 179.97 180.04 1th2 h LEU 458 N -0.40 -1.20 -1.05 3.04 5.85 -0.94 0.18 115.31 120.78 1th2 h LEU 458 Ca -0.01 0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 1th2 h LEU 458 Cb 0.36 0.64 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1th2 h LEU 458 CO 0.01 -0.29 -0.09 0.00 -0.34 0.00 0.00 178.44 177.73 1th2 h GLU 460 N 0.53 0.84 -0.22 0.00 5.08 -0.81 0.15 114.58 120.14 1th2 h GLU 460 Ca 0.10 -0.51 0.03 0.00 -1.00 0.00 0.00 59.36 57.97 1th2 h GLU 460 Cb 0.48 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1th2 h GLU 460 CO 0.03 1.15 0.05 -0.91 -1.00 0.00 0.00 179.01 178.32 1th2 h ASN 461 N 0.61 0.02 -0.13 1.42 2.35 -0.52 0.08 115.58 119.40 1th2 h ASN 461 Ca 0.02 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1th2 h ASN 461 Cb 1.09 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 1th2 h ASN 461 CO 0.11 0.04 0.05 0.40 -1.65 0.00 0.00 177.43 176.39 1th2 h ILE 462 N 0.14 1.15 -0.77 2.81 2.04 -1.23 -3.12 117.51 118.54 1th2 h ILE 462 Ca 0.10 -0.45 0.09 0.00 1.00 0.00 0.00 64.86 65.60 1th2 h ILE 462 Cb 0.09 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 1th2 h ILE 462 CO -0.13 0.14 0.42 0.00 0.00 0.00 0.00 178.15 178.58 1th2 h ALA 463 N 0.90 1.07 0.00 1.87 0.00 -0.36 0.25 119.26 122.99 1th2 h ALA 463 Ca 0.04 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1th2 h ALA 463 Cb 0.17 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1th2 h ALA 463 CO -0.00 0.05 -0.01 0.78 0.00 0.00 0.00 179.25 180.07 1th2 h GLY 464 N 0.72 0.00 0.00 0.00 0.00 -0.92 -1.21 103.07 101.66 1th2 h GLY 464 Ca 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.59 1th2 h GLY 464 CO -0.24 0.00 -1.22 1.57 0.00 0.00 0.00 176.54 176.65 1th2 n HIS 465 N -3.12 0.00 -0.33 5.60 -0.00 -0.77 -4.55 115.22 112.04 1th2 n HIS 465 Ca -0.02 0.00 0.22 0.00 -0.00 0.00 0.00 57.72 57.92 1th2 n HIS 465 Cb 0.16 -0.52 0.48 0.00 -0.00 0.00 0.00 29.99 30.12 1th2 n HIS 465 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1th2 h LEU 466 N -0.82 0.50 -2.09 0.27 5.85 -0.57 -0.63 115.31 117.82 1th2 h LEU 466 Ca -0.16 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1th2 h LEU 466 Cb 1.01 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1th2 h LEU 466 CO -0.10 0.09 0.30 0.07 -0.34 0.00 0.00 178.44 178.47 1th2 h LYS 467 N 0.44 0.00 0.00 1.25 5.09 -1.41 -0.89 116.57 121.04 1th2 h LYS 467 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.35 1th2 h LYS 467 Cb 1.45 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.78 1th2 h LYS 467 CO -0.33 0.00 -0.50 -0.25 -2.09 0.00 0.00 179.45 176.28 1th2 n ASP 468 N -2.90 0.68 -4.73 7.07 8.00 -0.24 -4.88 116.55 119.55 1th2 n ASP 468 Ca -0.02 0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.36 1th2 n ASP 468 Cb 0.35 -0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.59 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 -3.14 1.89 0.27 2.24 0.00 -0.34 -4.77 121.76 117.92 1th2 s ALA 469 Ca 0.07 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 51.14 1th2 s ALA 469 Cb 0.14 -3.00 -0.09 0.00 0.00 0.00 0.00 23.12 20.16 1th2 s ALA 469 CO 0.69 -2.25 1.08 -0.65 0.00 0.00 0.00 175.76 174.64 1th2 s GLN 470 N -5.36 4.66 0.15 0.00 -0.21 -1.26 -4.83 119.66 112.81 1th2 s GLN 470 Ca 0.64 1.77 -0.10 0.00 0.02 0.00 0.00 55.36 57.69 1th2 s GLN 470 Cb -0.13 -3.20 0.18 0.00 1.00 0.00 0.00 33.01 30.85 1th2 s GLN 470 CO 0.53 0.25 0.99 1.28 -2.12 0.00 0.00 175.29 176.22 1th2 n LEU 471 N 1.23 -0.39 -0.27 2.90 4.77 -1.26 0.37 117.00 124.35 1th2 n LEU 471 Ca -0.01 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.09 1th2 n LEU 471 Cb 0.45 -0.27 0.13 0.00 -2.33 0.00 0.00 43.42 41.40 1th2 n LEU 471 CO 0.54 -1.01 1.14 2.19 -1.33 0.00 0.00 177.39 178.91 1th2 h PHE 472 N 0.00 0.83 -0.40 -1.77 -5.15 -2.00 0.30 116.94 108.74 1th2 h PHE 472 Ca 0.24 0.03 -0.02 0.00 -0.20 0.00 0.00 57.97 58.02 1th2 h PHE 472 Cb 0.40 -0.26 -0.02 0.00 0.22 0.00 0.00 35.95 36.29 1th2 h PHE 472 CO -0.55 0.39 0.19 0.82 -2.00 0.00 0.00 178.31 177.16 1th2 h ILE 473 N 0.81 1.17 -0.49 0.88 2.04 -0.45 -1.71 117.51 119.77 1th2 h ILE 473 Ca 0.35 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.81 1th2 h ILE 473 Cb 0.23 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 36.99 1th2 h ILE 473 CO -0.20 0.19 -0.01 1.56 0.00 0.00 0.00 178.15 179.69 1th2 h GLN 474 N 0.51 0.10 0.52 2.37 4.20 -0.32 0.77 115.11 123.26 1th2 h GLN 474 Ca 0.14 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1th2 h GLN 474 Cb 0.12 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1th2 h GLN 474 CO -0.02 0.06 -0.47 0.87 -0.67 0.00 0.00 178.83 178.61 1th2 h LYS 475 N 0.10 -0.95 -0.96 1.46 1.57 -0.54 0.72 116.57 117.97 1th2 h LYS 475 Ca 0.24 0.06 0.21 0.00 -1.87 0.00 0.00 60.65 59.30 1th2 h LYS 475 Cb 0.37 0.22 -0.12 0.00 0.08 0.00 0.00 32.23 32.78 1th2 h LYS 475 CO -0.42 -0.63 0.54 -0.22 -0.57 0.00 0.00 179.45 178.15 1th2 h LYS 476 N -0.98 0.59 0.48 3.15 3.64 -0.49 0.19 116.57 123.14 1th2 h LYS 476 Ca -0.06 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1th2 h LYS 476 Cb 0.85 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1th2 h LYS 476 CO -0.04 0.39 -0.23 0.00 -2.27 0.00 0.00 179.45 177.30 1th2 h ALA 477 N 1.68 -0.64 -0.56 5.00 0.00 0.18 -2.95 119.26 121.96 1th2 h ALA 477 Ca 0.58 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.38 1th2 h ALA 477 Cb 1.02 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1th2 h ALA 477 CO -0.44 -0.68 0.22 0.28 0.00 0.00 0.00 179.25 178.62 1th2 h VAL 478 N -1.00 0.82 -0.81 0.00 2.07 0.91 -1.63 116.25 116.61 1th2 h VAL 478 Ca -0.07 -0.14 0.19 0.00 0.82 0.00 0.00 66.70 67.51 1th2 h VAL 478 Cb 0.59 0.37 -0.13 0.00 -1.52 0.00 0.00 31.29 30.61 1th2 h VAL 478 CO 0.11 0.07 0.19 0.50 0.02 0.00 0.00 177.57 178.47 1th2 h LYS 479 N 0.41 0.23 -0.66 1.57 3.64 -0.67 0.11 116.57 121.19 1th2 h LYS 479 Ca 0.27 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1th2 h LYS 479 Cb 0.30 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1th2 h LYS 479 CO -0.26 0.15 0.25 -0.91 -2.27 0.00 0.00 179.45 176.41 1th2 h ASN 480 N 0.24 0.90 -0.29 4.20 -0.26 -1.12 -2.66 115.58 116.59 1th2 h ASN 480 Ca 0.48 -0.13 -0.07 0.00 -0.56 0.00 0.00 56.30 56.02 1th2 h ASN 480 Cb 0.89 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.90 1th2 h ASN 480 CO -0.59 0.81 -0.04 -0.26 -1.06 0.00 0.00 177.43 176.29 1th2 h PHE 481 N 0.96 0.70 -0.46 1.19 0.04 -0.62 -2.50 116.94 116.25 1th2 h PHE 481 Ca 0.22 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.83 1th2 h PHE 481 Cb 0.20 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 1th2 h PHE 481 CO 0.02 0.69 0.01 0.77 -0.60 0.00 0.00 178.31 179.19 1th2 h SER 482 N 0.62 0.72 0.14 2.17 0.02 -1.05 0.10 113.55 116.27 1th2 h SER 482 Ca 0.12 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1th2 h SER 482 Cb 0.45 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 1th2 h SER 482 CO 0.02 0.78 -0.03 0.44 -1.14 0.00 0.00 176.83 176.90 1th2 h ASP 483 N 0.71 0.00 0.43 3.07 3.32 -1.20 0.43 116.42 123.17 1th2 h ASP 483 Ca 0.14 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.88 1th2 h ASP 483 Cb 0.42 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1th2 h ASP 483 CO 0.02 0.03 -1.59 0.58 -1.72 0.00 0.00 179.24 176.56 1th2 h VAL 484 N 0.00 1.07 -0.90 -1.35 2.07 -1.22 -3.47 116.25 112.46 1th2 h VAL 484 Ca -0.00 -2.75 0.20 0.00 0.82 0.00 0.00 66.70 64.98 1th2 h VAL 484 Cb 0.11 2.69 -0.30 0.00 -1.52 0.00 0.00 31.29 32.27 1th2 h VAL 484 CO 0.00 0.79 0.61 -2.28 0.02 0.00 0.00 177.57 176.72 1th2 s HIS 485 N -2.61 -0.18 0.41 1.57 2.46 0.14 -4.51 115.29 112.57 1th2 s HIS 485 Ca -0.10 0.35 0.24 0.00 0.47 0.00 0.00 55.06 56.03 1th2 s HIS 485 Cb 0.07 0.11 1.29 0.00 -0.13 0.00 0.00 32.58 33.92 1th2 s HIS 485 CO 0.84 -0.09 1.67 -1.00 -2.47 0.00 0.00 174.74 173.68 1th2 h PRO 486 N 5.89 0.19 -0.28 2.88 0.13 -1.64 0.28 132.00 139.45 1th2 h PRO 486 Ca -0.23 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.74 1th2 h PRO 486 Cb 1.15 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1th2 h PRO 486 CO 0.18 0.13 -0.41 1.49 -0.23 0.00 0.00 178.00 179.16 1th2 h GLU 487 N 0.20 0.76 -0.23 0.86 4.81 -1.90 -2.01 114.58 117.06 1th2 h GLU 487 Ca 0.75 -0.45 0.04 0.00 -0.13 0.00 0.00 59.36 59.57 1th2 h GLU 487 Cb 2.15 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 31.53 1th2 h GLU 487 CO -0.43 1.08 -0.01 -0.92 -0.73 0.00 0.00 179.01 178.01 1th2 h TYR 488 N 0.51 -0.03 0.04 0.92 5.03 -0.70 0.14 116.97 122.88 1th2 h TYR 488 Ca 0.03 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.35 1th2 h TYR 488 Cb 1.00 0.05 -0.00 0.00 1.55 0.00 0.00 36.73 39.33 1th2 h TYR 488 CO 0.08 -0.04 -0.02 0.78 -1.32 0.00 0.00 178.16 177.63 1th2 h GLY 489 N 0.06 -0.31 -0.11 1.82 0.00 -1.37 -2.57 103.07 100.59 1th2 h GLY 489 Ca 0.11 0.13 0.18 0.00 0.00 0.00 0.00 47.33 47.75 1th2 h GLY 489 CO -0.19 -0.11 0.28 1.48 0.00 0.00 0.00 176.54 177.99 1th2 h SER 490 N -0.06 0.17 0.07 0.19 4.64 -1.34 0.28 113.55 117.51 1th2 h SER 490 Ca -0.01 0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.49 1th2 h SER 490 Cb 0.04 0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 62.26 1th2 h SER 490 CO 0.01 -0.01 -0.28 -0.09 -0.87 0.00 0.00 176.83 175.59 1th2 h ARG 491 N 0.35 -0.45 -0.31 4.77 2.43 -0.73 0.49 114.38 120.92 1th2 h ARG 491 Ca 0.48 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.66 1th2 h ARG 491 Cb 0.85 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1th2 h ARG 491 CO -0.51 -0.30 0.10 0.82 -1.51 0.00 0.00 179.97 178.57 1th2 h ILE 492 N -0.46 1.20 -0.68 1.20 2.04 -0.94 -2.66 117.51 117.21 1th2 h ILE 492 Ca 0.04 -0.63 0.15 0.00 1.00 0.00 0.00 64.86 65.42 1th2 h ILE 492 Cb 0.51 1.03 -0.11 0.00 -0.74 0.00 0.00 36.82 37.51 1th2 h ILE 492 CO -0.19 0.21 0.04 -0.61 0.00 0.00 0.00 178.15 177.60 1th2 h GLN 493 N 0.35 0.14 -0.04 2.37 5.75 0.09 -1.14 115.11 122.63 1th2 h GLN 493 Ca 0.10 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 1th2 h GLN 493 Cb 0.23 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.69 1th2 h GLN 493 CO -0.00 0.09 -0.52 0.00 -2.65 0.00 0.00 178.83 175.74 1th2 h ALA 494 N 1.61 -0.89 -0.33 3.38 0.00 0.31 -2.35 119.26 120.99 1th2 h ALA 494 Ca 0.36 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.27 1th2 h ALA 494 Cb 0.61 0.94 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 1th2 h ALA 494 CO -0.56 -1.09 -0.08 -0.07 0.00 0.00 0.00 179.25 177.45 1th2 h LEU 495 N -0.64 -0.31 -0.17 0.00 3.38 -1.08 -2.89 115.31 113.60 1th2 h LEU 495 Ca 0.02 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1th2 h LEU 495 Cb 0.71 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 1th2 h LEU 495 CO -0.38 -0.11 -0.49 -0.07 0.09 0.00 0.00 178.44 177.48 1th2 h LEU 496 N -0.00 -1.57 -1.65 1.67 3.38 -0.82 0.24 115.31 116.56 1th2 h LEU 496 Ca 0.16 0.19 0.34 0.00 0.09 0.00 0.00 57.88 58.66 1th2 h LEU 496 Cb 0.24 0.62 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1th2 h LEU 496 CO -0.34 -0.42 0.82 0.44 0.09 0.00 0.00 178.44 179.03 1th2 h ASP 497 N -0.49 0.22 0.62 -0.43 3.32 -1.29 0.44 116.42 118.82 1th2 h ASP 497 Ca 0.04 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 1th2 h ASP 497 Cb 0.59 0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.18 1th2 h ASP 497 CO -0.42 0.00 -0.30 0.50 -1.72 0.00 0.00 179.24 177.30 1th2 h LYS 498 N 0.17 -0.80 -0.80 3.56 3.11 -0.44 -3.13 116.57 118.24 1th2 h LYS 498 Ca 0.64 0.05 0.16 0.00 -2.81 0.00 0.00 60.65 58.70 1th2 h LYS 498 Cb 2.12 0.18 -0.15 0.00 -1.00 0.00 0.00 32.23 33.38 1th2 h LYS 498 CO -0.19 -0.54 -0.20 1.88 -2.81 0.00 0.00 179.45 177.59 1th2 h TYR 499 N -1.06 -0.44 0.00 1.91 0.05 0.19 3.30 116.97 120.92 1th2 h TYR 499 Ca -0.09 0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1th2 h TYR 499 Cb 0.64 0.32 0.00 0.00 1.01 0.00 0.00 36.73 38.70 1th2 h TYR 499 CO 0.03 -0.35 0.00 0.09 -1.05 0.00 0.00 178.16 176.88 1th2 n ASN 500 N -5.52 0.02 0.00 3.88 5.03 0.78 -5.10 115.26 114.35 1th2 n ASN 500 Ca 0.11 -0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.41 1th2 n ASN 500 Cb 0.40 -0.01 0.00 0.00 -1.02 0.00 0.00 39.78 39.16 1th2 n ASN 500 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59