#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th2 n ARG 4 N 0.00 3.00 -1.39 1.20 1.85 -1.26 -5.11 116.66 114.94 1th2 n ARG 4 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 1th2 n ARG 4 Cb 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 32.46 31.53 1th2 n ARG 4 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 1th2 s ASP 5 N -0.83 3.86 0.17 2.89 -4.77 -1.26 -4.85 116.67 111.88 1th2 s ASP 5 Ca 0.00 1.32 -0.16 0.00 -3.30 0.00 0.00 52.55 50.41 1th2 s ASP 5 Cb 0.00 -2.01 0.13 0.00 -1.09 0.00 0.00 42.92 39.95 1th2 s ASP 5 CO 0.00 -2.37 1.68 1.55 0.70 0.00 0.00 175.17 176.72 1th2 h PRO 6 N -1.37 0.05 -0.00 2.11 0.13 -1.96 -2.38 132.00 128.58 1th2 h PRO 6 Ca -0.49 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1th2 h PRO 6 Cb 1.29 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.38 1th2 h PRO 6 CO 0.58 0.03 -0.25 0.00 -0.23 0.00 0.00 178.00 178.13 1th2 h ALA 7 N 1.41 -0.70 -1.06 -0.56 0.00 -1.94 -1.86 119.26 114.55 1th2 h ALA 7 Ca 0.21 -0.04 0.28 0.00 0.00 0.00 0.00 54.91 55.36 1th2 h ALA 7 Cb 0.32 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 1th2 h ALA 7 CO -0.40 -0.78 0.70 0.77 0.00 0.00 0.00 179.25 179.53 1th2 h SER 8 N -0.31 0.36 -0.29 0.00 0.02 -1.88 -0.13 113.55 111.31 1th2 h SER 8 Ca 0.01 0.07 -0.19 0.00 -0.84 0.00 0.00 61.79 60.84 1th2 h SER 8 Cb 0.34 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 62.80 1th2 h SER 8 CO -0.17 0.06 0.24 0.47 -1.14 0.00 0.00 176.83 176.30 1th2 n ASP 9 N -4.55 5.41 0.08 3.07 8.00 -0.70 -4.56 116.55 123.29 1th2 n ASP 9 Ca 0.25 -2.74 -0.03 0.00 0.71 0.00 0.00 54.79 52.98 1th2 n ASP 9 Cb 0.95 -0.98 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 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 1.07 -0.20 -0.78 -1.24 -0.00 -1.01 -1.87 115.11 111.08 1th2 h GLN 10 Ca 0.18 0.01 0.10 0.00 -0.00 0.00 0.00 58.65 58.94 1th2 h GLN 10 Cb 1.08 0.05 -0.05 0.00 0.00 0.00 0.00 27.48 28.55 1th2 h GLN 10 CO 0.44 -0.13 0.51 0.52 0.00 0.00 0.00 178.83 180.17 1th2 h MET 11 N -0.30 0.69 0.00 1.69 2.86 -1.86 -1.91 114.93 116.10 1th2 h MET 11 Ca -0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1th2 h MET 11 Cb 0.16 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1th2 h MET 11 CO 0.04 0.46 0.00 1.17 1.06 0.00 0.00 176.91 179.63 1th2 n LYS 12 N -4.50 0.00 0.12 1.72 3.00 -1.23 -0.41 118.16 116.86 1th2 n LYS 12 Ca 0.13 0.62 0.20 0.00 -0.00 0.00 0.00 58.31 59.25 1th2 n LYS 12 Cb 0.33 -1.38 0.75 0.00 0.00 0.00 0.00 35.03 34.73 1th2 n LYS 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1th2 h HIS 13 N 0.00 0.00 0.27 5.64 3.86 -1.14 -1.47 115.15 122.31 1th2 h HIS 13 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1th2 h HIS 13 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1th2 h HIS 13 CO -0.25 0.00 -0.13 2.35 0.86 0.00 0.00 177.93 180.76 1th2 h TRP 14 N 0.00 -0.33 -0.78 2.45 7.01 -0.56 -2.28 115.95 121.45 1th2 h TRP 14 Ca 0.17 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.30 1th2 h TRP 14 Cb 1.03 0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 28.14 1th2 h TRP 14 CO 0.00 -0.06 0.52 -0.22 -2.79 0.00 0.00 178.44 175.88 1th2 h LYS 15 N -1.02 0.53 0.14 2.65 3.64 0.06 -2.69 116.57 119.87 1th2 h LYS 15 Ca -0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1th2 h LYS 15 Cb 0.42 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1th2 h LYS 15 CO 0.06 0.35 -0.06 0.93 -2.27 0.00 0.00 179.45 178.46 1th2 h GLU 16 N 0.55 -0.18 0.00 1.90 5.08 -1.31 -2.49 114.58 118.14 1th2 h GLU 16 Ca 0.38 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1th2 h GLU 16 Cb 0.71 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1th2 h GLU 16 CO -0.14 -0.12 0.06 0.00 -1.00 0.00 0.00 179.01 177.81 1th2 n GLN 17 N -2.51 0.00 -0.54 2.33 10.64 -0.86 -1.42 117.38 125.02 1th2 n GLN 17 Ca -0.02 0.06 -0.10 0.00 -1.83 0.00 0.00 57.00 55.11 1th2 n GLN 17 Cb 0.07 -1.56 0.07 0.00 -0.86 0.00 0.00 30.24 27.97 1th2 n GLN 17 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1th2 n ARG 18 N -0.88 1.53 0.00 2.61 1.74 -0.94 -4.96 116.66 115.76 1th2 n ARG 18 Ca 0.00 -1.26 0.00 0.00 -0.77 0.00 0.00 57.85 55.82 1th2 n ARG 18 Cb 0.06 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1th2 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1th2 n ALA 19 N -0.13 0.00 0.00 7.54 0.00 -0.50 -3.80 120.51 123.61 1th2 n ALA 19 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1th2 n ALA 19 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.40 1th2 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1th2 n ALA 20 N 0.49 0.00 -3.66 0.00 0.00 -1.26 -4.97 120.51 111.12 1th2 n ALA 20 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1th2 n ALA 20 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1th2 n ALA 20 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1th2 s GLN 21 N 0.00 0.48 1.19 0.00 -0.21 -1.25 -5.20 119.66 114.66 1th2 s GLN 21 Ca 0.00 1.22 -0.19 0.00 0.02 0.00 0.00 55.36 56.41 1th2 s GLN 21 Cb 0.00 0.53 0.30 0.00 1.00 0.00 0.00 33.01 34.85 1th2 s GLN 21 CO 0.00 -0.21 0.69 1.63 -2.12 0.00 0.00 175.29 175.27 1th2 n LYS 22 N 5.24 -4.12 0.00 2.91 5.02 -1.26 -4.98 118.16 120.96 1th2 n LYS 22 Ca -0.12 -1.15 0.00 0.00 -2.02 0.00 0.00 58.31 55.02 1th2 n LYS 22 Cb 0.51 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1th2 n LYS 22 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1th2 n PRO 23 N -4.82 0.00 -1.23 1.97 -0.04 -1.26 -5.05 135.00 124.57 1th2 n PRO 23 Ca 0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.24 1th2 n PRO 23 Cb 0.48 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.05 1th2 n PRO 23 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1th2 s ASP 24 N 0.00 3.93 0.06 3.54 1.01 -1.26 -4.88 116.67 119.08 1th2 s ASP 24 Ca 0.00 2.23 -0.30 0.00 0.71 0.00 0.00 52.55 55.19 1th2 s ASP 24 Cb 0.00 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.30 1th2 s ASP 24 CO 0.00 -2.43 1.17 -0.69 0.21 0.00 0.00 175.17 173.43 1th2 s VAL 25 N -2.28 4.10 0.01 -1.27 1.01 -1.26 -4.95 120.40 115.76 1th2 s VAL 25 Ca 0.70 1.53 -0.31 0.00 0.00 0.00 0.00 61.98 63.90 1th2 s VAL 25 Cb -0.26 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.05 1th2 s VAL 25 CO 0.50 0.13 1.96 -0.11 0.00 0.00 0.00 175.10 177.57 1th2 n LEU 26 N 3.80 4.02 -4.44 3.92 7.94 -1.26 -4.91 117.00 126.08 1th2 n LEU 26 Ca 0.08 0.92 -0.21 0.00 -1.11 0.00 0.00 56.01 55.69 1th2 n LEU 26 Cb 0.47 -1.49 -0.10 0.00 0.53 0.00 0.00 43.42 42.82 1th2 n LEU 26 CO 0.55 0.15 -0.33 0.42 -1.11 0.00 0.00 177.39 177.08 1th2 s THR 27 N 4.35 1.46 0.38 1.96 -4.23 -1.26 -0.50 115.64 117.81 1th2 s THR 27 Ca 0.90 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 59.29 1th2 s THR 27 Cb -0.49 -2.58 0.09 0.00 1.34 0.00 0.00 72.50 70.85 1th2 s THR 27 CO 0.44 -0.19 0.52 0.35 -0.54 0.00 0.00 174.62 175.20 1th2 n THR 28 N -0.62 0.00 -0.10 3.99 -2.24 -0.73 -4.88 114.28 109.70 1th2 n THR 28 Ca -0.04 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.16 1th2 n THR 28 Cb 0.65 -1.61 0.06 0.00 -2.10 0.00 0.00 70.33 67.33 1th2 n THR 28 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1th2 h GLY 29 N -0.60 0.89 2.00 3.38 0.00 -1.92 -2.76 103.07 104.06 1th2 h GLY 29 Ca -0.17 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.34 1th2 h GLY 29 CO 0.14 0.72 -0.17 -1.33 0.00 0.00 0.00 176.54 175.89 1th2 h GLY 30 N 0.94 0.00 0.00 4.60 0.00 -2.01 -3.46 103.07 103.14 1th2 h GLY 30 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1th2 h GLY 30 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.21 1th2 n GLY 31 N -0.82 0.95 3.71 4.60 0.00 -1.04 -5.08 105.19 107.51 1th2 n GLY 31 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.63 6.95 0.55 1.61 0.01 -1.26 -4.69 114.94 116.49 1th2 s ASN 32 Ca 0.00 2.18 -0.21 0.00 -0.71 0.00 0.00 52.86 54.11 1th2 s ASN 32 Cb 0.00 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.03 1th2 s ASN 32 CO 0.00 -0.56 1.32 -2.84 -1.51 0.00 0.00 177.10 173.51 1th2 s PRO 33 N 1.04 3.16 -0.34 -0.60 0.02 -1.26 -1.78 135.00 135.24 1th2 s PRO 33 Ca 0.61 2.13 -0.12 0.00 0.02 0.00 0.00 61.00 63.64 1th2 s PRO 33 Cb -0.33 -2.22 -0.01 0.00 0.02 0.00 0.00 34.50 31.96 1th2 s PRO 33 CO 0.30 -1.14 0.22 0.08 -0.33 0.00 0.00 177.00 176.13 1th2 s VAL 34 N -1.36 5.09 0.06 3.83 1.01 0.35 -4.86 120.40 124.52 1th2 s VAL 34 Ca 0.72 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 62.16 1th2 s VAL 34 Cb -0.38 -3.64 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 1th2 s VAL 34 CO 0.44 -0.03 1.52 1.23 0.00 0.00 0.00 175.10 178.27 1th2 h GLY 35 N 8.47 0.23 -6.45 4.51 0.00 -1.94 -3.44 103.07 104.44 1th2 h GLY 35 Ca -0.31 -0.15 -0.20 0.00 0.00 0.00 0.00 47.33 46.66 1th2 h GLY 35 CO 0.64 0.14 -0.51 -0.35 0.00 0.00 0.00 176.54 176.46 1th2 s ASP 36 N -5.66 0.29 -0.27 0.19 3.68 -1.26 -5.05 116.67 108.59 1th2 s ASP 36 Ca -0.14 0.63 0.11 0.00 2.13 0.00 0.00 52.55 55.28 1th2 s ASP 36 Cb 0.06 0.76 0.46 0.00 -1.45 0.00 0.00 42.92 42.75 1th2 s ASP 36 CO 0.70 -0.24 1.18 2.29 0.13 0.00 0.00 175.17 179.23 1th2 n LYS 37 N 5.34 2.95 0.00 4.34 2.85 -1.26 -4.66 118.16 127.73 1th2 n LYS 37 Ca -0.07 -3.89 0.00 0.00 -1.05 0.00 0.00 58.31 53.30 1th2 n LYS 37 Cb 0.50 -2.02 0.00 0.00 -0.65 0.00 0.00 35.03 32.86 1th2 n LYS 37 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1th2 n LEU 38 N -0.70 0.00 -3.78 -5.58 4.77 -1.26 -4.98 117.00 105.46 1th2 n LEU 38 Ca 0.33 -0.12 -0.28 0.00 -0.03 0.00 0.00 56.01 55.91 1th2 n LEU 38 Cb 0.91 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.84 1th2 n LEU 38 CO 0.28 0.00 -0.38 0.20 -1.33 0.00 0.00 177.39 176.16 1th2 s ASN 39 N -1.39 3.06 0.30 -1.43 0.01 -1.26 -5.12 114.94 109.11 1th2 s ASN 39 Ca 0.00 -0.87 -0.28 0.00 -0.71 0.00 0.00 52.86 51.00 1th2 s ASN 39 Cb 0.00 -0.72 -0.13 0.00 0.41 0.00 0.00 41.25 40.81 1th2 s ASN 39 CO 0.00 -0.28 1.13 -1.20 -1.51 0.00 0.00 177.10 175.24 1th2 n SER 40 N 4.97 1.87 -4.60 -1.22 7.64 -1.26 -4.86 113.62 116.16 1th2 n SER 40 Ca -0.10 1.19 -0.43 0.00 1.01 0.00 0.00 58.87 60.54 1th2 n SER 40 Cb 0.47 -1.36 -0.02 0.00 -1.01 0.00 0.00 64.21 62.28 1th2 n SER 40 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1th2 s LEU 41 N -0.06 3.56 0.20 -3.43 1.98 -1.26 -4.96 118.68 114.70 1th2 s LEU 41 Ca 0.58 1.15 0.08 0.00 -2.89 0.00 0.00 54.13 53.05 1th2 s LEU 41 Cb -0.66 -3.53 -0.05 0.00 0.66 0.00 0.00 46.19 42.61 1th2 s LEU 41 CO 0.60 -1.56 -0.15 0.42 -1.89 0.00 0.00 176.35 173.76 1th2 s THR 42 N 6.18 1.77 -0.47 3.68 -4.23 -1.26 -2.97 115.64 118.35 1th2 s THR 42 Ca 0.72 -2.15 -0.24 0.00 -1.18 0.00 0.00 61.69 58.84 1th2 s THR 42 Cb -0.19 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 71.68 1th2 s THR 42 CO 0.33 -0.53 0.85 0.54 -0.54 0.00 0.00 174.62 175.27 1th2 s VAL 43 N -2.75 4.56 0.00 2.29 0.11 -0.85 -4.83 120.40 118.93 1th2 s VAL 43 Ca 0.21 0.50 0.00 0.00 -2.93 0.00 0.00 61.98 59.76 1th2 s VAL 43 Cb -0.02 -4.38 0.00 0.00 -1.53 0.00 0.00 36.38 30.45 1th2 s VAL 43 CO 0.07 -0.80 0.00 0.61 -3.33 0.00 0.00 175.10 171.65 1th2 n GLY 44 N 4.99 -2.30 0.00 6.54 0.00 -1.26 -2.10 105.19 111.06 1th2 n GLY 44 Ca 0.03 -1.48 0.10 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.94 0.00 -2.62 1.61 -0.05 -1.26 -3.19 135.00 127.55 1th2 n PRO 45 Ca 0.00 0.15 0.01 0.00 -0.05 0.00 0.00 63.50 63.61 1th2 n PRO 45 Cb 0.00 -1.50 0.05 0.00 -0.05 0.00 0.00 33.50 31.99 1th2 n PRO 45 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1th2 n ARG 46 N -1.51 1.45 -3.94 0.54 3.00 -1.26 -5.10 116.66 109.84 1th2 n ARG 46 Ca 0.05 -3.25 -0.27 0.00 -0.01 0.00 0.00 57.85 54.37 1th2 n ARG 46 Cb 0.24 -1.33 -0.01 0.00 0.00 0.00 0.00 32.46 31.36 1th2 n ARG 46 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1th2 s GLY 47 N -3.50 2.42 1.17 -0.13 0.00 -0.89 -5.07 107.32 101.32 1th2 s GLY 47 Ca 0.28 -1.13 -0.18 0.00 0.00 0.00 0.00 44.72 43.69 1th2 s GLY 47 CO -0.06 -1.97 1.12 -4.14 0.00 0.00 0.00 173.10 168.04 1th2 s PRO 48 N -4.28 -0.98 0.13 2.90 0.02 -1.26 -4.48 135.00 127.04 1th2 s PRO 48 Ca 0.31 -0.02 -0.13 0.00 0.02 0.00 0.00 61.00 61.19 1th2 s PRO 48 Cb -0.02 -1.62 -0.07 0.00 0.02 0.00 0.00 34.50 32.81 1th2 s PRO 48 CO 0.20 -3.56 0.50 -1.17 -0.33 0.00 0.00 177.00 172.64 1th2 s LEU 49 N -6.85 4.34 -0.19 -5.54 0.20 -1.26 -2.01 118.68 107.36 1th2 s LEU 49 Ca 0.70 0.99 -0.09 0.00 0.69 0.00 0.00 54.13 56.42 1th2 s LEU 49 Cb -0.10 -3.19 -0.05 0.00 -0.43 0.00 0.00 46.19 42.41 1th2 s LEU 49 CO 0.56 0.12 0.12 -0.76 -0.29 0.00 0.00 176.35 176.10 1th2 s LEU 50 N -1.97 4.17 0.59 -0.68 2.01 -1.16 -4.93 118.68 116.72 1th2 s LEU 50 Ca 0.37 0.22 0.29 0.00 0.01 0.00 0.00 54.13 55.02 1th2 s LEU 50 Cb -0.15 -2.07 1.71 0.00 0.01 0.00 0.00 46.19 45.69 1th2 s LEU 50 CO 0.19 0.19 2.13 -0.37 1.01 0.00 0.00 176.35 179.51 1th2 h VAL 51 N 4.65 0.46 0.00 -1.59 -1.51 -1.98 0.20 116.25 116.48 1th2 h VAL 51 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1th2 h VAL 51 Cb 1.16 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 1th2 h VAL 51 CO 0.74 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 178.75 1th2 n GLN 52 N -3.78 0.08 -2.79 5.19 7.27 -1.26 -3.98 117.38 118.11 1th2 n GLN 52 Ca 0.00 0.55 -0.43 0.00 0.07 0.00 0.00 57.00 57.19 1th2 n GLN 52 Cb 0.27 -1.75 -0.01 0.00 2.41 0.00 0.00 30.24 31.17 1th2 n GLN 52 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1th2 s ASP 53 N -3.58 6.89 0.50 1.69 -1.08 0.71 -4.68 116.67 117.12 1th2 s ASP 53 Ca -0.00 -2.57 0.29 0.00 -0.52 0.00 0.00 52.55 49.75 1th2 s ASP 53 Cb 0.04 -2.48 0.91 0.00 -1.46 0.00 0.00 42.92 39.94 1th2 s ASP 53 CO 0.14 -0.99 1.82 -0.37 0.52 0.00 0.00 175.17 176.28 1th2 h VAL 54 N 5.29 0.00 0.30 1.11 -1.51 -1.86 -1.89 116.25 117.69 1th2 h VAL 54 Ca 0.33 -0.72 -0.01 0.00 -1.23 0.00 0.00 66.70 65.07 1th2 h VAL 54 Cb 0.90 1.72 -0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1th2 h VAL 54 CO 1.32 0.00 -0.18 0.58 -1.23 0.00 0.00 177.57 178.06 1th2 h VAL 55 N 0.00 0.63 0.20 7.19 2.07 -1.94 0.41 116.25 124.82 1th2 h VAL 55 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1th2 h VAL 55 Cb 0.72 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1th2 h VAL 55 CO 0.00 0.00 -0.13 0.15 0.02 0.00 0.00 177.57 177.61 1th2 h PHE 56 N -0.45 -0.34 -0.87 1.57 3.57 -1.89 -2.24 116.94 116.28 1th2 h PHE 56 Ca -0.03 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.65 1th2 h PHE 56 Cb 0.37 0.12 -0.16 0.00 2.79 0.00 0.00 35.95 39.07 1th2 h PHE 56 CO -0.08 -0.19 -0.14 1.15 -2.23 0.00 0.00 178.31 176.82 1th2 h THR 57 N -0.31 0.14 -0.39 4.41 2.02 -1.32 0.11 112.91 117.57 1th2 h THR 57 Ca -0.03 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.20 1th2 h THR 57 Cb 0.25 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 66.74 1th2 h THR 57 CO 0.02 0.00 0.12 -0.78 0.37 0.00 0.00 175.52 175.25 1th2 h ASP 58 N 0.02 0.10 -0.04 4.18 3.58 -0.06 -0.02 116.42 124.17 1th2 h ASP 58 Ca 0.45 0.05 -0.07 0.00 0.42 0.00 0.00 57.03 57.88 1th2 h ASP 58 Cb 0.75 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.86 1th2 h ASP 58 CO -0.86 0.09 -0.26 -0.08 -2.88 0.00 0.00 179.24 175.24 1th2 h GLU 59 N 0.26 0.25 -0.21 0.28 4.81 -0.40 -2.93 114.58 116.65 1th2 h GLU 59 Ca 0.18 -0.21 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1th2 h GLU 59 Cb 0.19 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1th2 h GLU 59 CO -0.21 0.88 0.01 1.98 -0.73 0.00 0.00 179.01 180.94 1th2 h MET 60 N -0.30 0.08 -0.43 1.92 4.05 -0.82 0.33 114.93 119.76 1th2 h MET 60 Ca -0.02 -0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.48 1th2 h MET 60 Cb 0.93 -0.02 -0.09 0.00 -0.80 0.00 0.00 31.60 31.62 1th2 h MET 60 CO 0.05 0.05 -0.25 0.00 0.23 0.00 0.00 176.91 177.00 1th2 h ALA 61 N 1.17 0.03 -0.55 0.39 0.00 -1.07 0.18 119.26 119.40 1th2 h ALA 61 Ca 0.10 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1th2 h ALA 61 Cb 0.11 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1th2 h ALA 61 CO -0.15 -0.61 0.27 1.25 0.00 0.00 0.00 179.25 180.01 1th2 h HIS 62 N -0.16 0.80 -0.74 0.00 6.17 -1.22 -2.53 115.15 117.47 1th2 h HIS 62 Ca 0.20 -0.04 0.13 0.00 0.71 0.00 0.00 60.37 61.37 1th2 h HIS 62 Cb 0.48 -0.25 -0.09 0.00 2.52 0.00 0.00 27.41 30.08 1th2 h HIS 62 CO -0.49 0.61 0.32 0.35 0.71 0.00 0.00 177.93 179.43 1th2 h PHE 63 N 0.75 0.55 0.00 5.26 3.57 0.11 -0.58 116.94 126.60 1th2 h PHE 63 Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1th2 h PHE 63 Cb 0.11 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1th2 h PHE 63 CO -0.00 0.12 0.00 -0.25 -2.23 0.00 0.00 178.31 175.94 1th2 n ASP 64 N -4.96 0.00 -0.58 0.41 8.00 0.41 -3.02 116.55 116.81 1th2 n ASP 64 Ca 0.13 0.18 0.05 0.00 0.71 0.00 0.00 54.79 55.86 1th2 n ASP 64 Cb 0.37 -0.26 0.08 0.00 -0.02 0.00 0.00 41.12 41.29 1th2 n ASP 64 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1th2 n ARG 65 N -1.26 0.66 -0.14 -1.24 1.74 -0.23 -4.83 116.66 111.36 1th2 n ARG 65 Ca 0.03 -2.07 -0.09 0.00 -0.77 0.00 0.00 57.85 54.94 1th2 n ARG 65 Cb 0.04 -0.90 0.04 0.00 -1.02 0.00 0.00 32.46 30.63 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 0.37 0.93 -6.94 5.56 5.08 -1.53 -3.44 114.58 114.61 1th2 h GLU 66 Ca -0.04 -0.36 -0.48 0.00 -1.00 0.00 0.00 59.36 57.47 1th2 h GLU 66 Cb 1.31 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.52 1th2 h GLU 66 CO 0.02 1.02 0.41 1.03 -1.00 0.00 0.00 179.01 180.49 1th2 s ARG 67 N -4.74 4.25 0.16 2.33 3.00 -1.26 -5.07 118.95 117.61 1th2 s ARG 67 Ca -0.11 1.53 0.01 0.00 0.00 0.00 0.00 55.73 57.17 1th2 s ARG 67 Cb 0.13 -2.64 -0.04 0.00 0.00 0.00 0.00 34.95 32.40 1th2 s ARG 67 CO 0.85 -0.07 -0.00 0.96 0.00 0.00 0.00 175.30 177.05 1th2 s ILE 68 N -1.59 0.61 0.27 1.52 -4.36 -1.26 -5.11 121.20 111.28 1th2 s ILE 68 Ca 0.56 -1.97 -0.31 0.00 -0.26 0.00 0.00 60.65 58.68 1th2 s ILE 68 Cb -0.23 -2.05 -0.12 0.00 1.25 0.00 0.00 42.46 41.31 1th2 s ILE 68 CO 0.29 -0.53 1.55 -0.81 0.24 0.00 0.00 174.94 175.68 1th2 n PRO 69 N -0.20 2.51 -2.10 0.37 -0.04 -1.26 -4.96 135.00 129.32 1th2 n PRO 69 Ca -0.07 0.89 -0.32 0.00 -0.04 0.00 0.00 63.50 63.96 1th2 n PRO 69 Cb 0.63 -2.64 -0.00 0.00 -0.04 0.00 0.00 33.50 31.44 1th2 n PRO 69 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1th2 s GLU 70 N -0.36 3.60 0.12 0.54 -1.05 -1.26 -4.91 118.70 115.38 1th2 s GLU 70 Ca 0.66 0.98 -0.35 0.00 -0.15 0.00 0.00 54.97 56.11 1th2 s GLU 70 Cb -0.54 -2.08 -0.17 0.00 -0.44 0.00 0.00 34.13 30.90 1th2 s GLU 70 CO 0.48 -0.57 1.09 0.54 0.95 0.00 0.00 175.26 177.75 1th2 n ARG 71 N -2.12 0.72 -0.26 -4.83 1.74 -1.26 -4.80 116.66 105.85 1th2 n ARG 71 Ca 0.07 0.26 0.04 0.00 -0.77 0.00 0.00 57.85 57.45 1th2 n ARG 71 Cb 0.54 -1.72 0.17 0.00 -1.02 0.00 0.00 32.46 30.43 1th2 n ARG 71 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1th2 h VAL 72 N 2.65 0.77 -3.93 1.55 2.07 -1.98 -3.38 116.25 113.99 1th2 h VAL 72 Ca -0.44 -0.19 -0.42 0.00 0.82 0.00 0.00 66.70 66.47 1th2 h VAL 72 Cb 1.38 0.16 -0.21 0.00 -1.52 0.00 0.00 31.29 31.09 1th2 h VAL 72 CO 0.68 0.10 -0.78 -0.69 0.02 0.00 0.00 177.57 176.90 1th2 s VAL 73 N -6.03 1.16 -0.89 2.57 1.01 -1.26 -4.87 120.40 112.09 1th2 s VAL 73 Ca -0.12 -1.34 -0.01 0.00 0.00 0.00 0.00 61.98 60.50 1th2 s VAL 73 Cb 0.20 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1th2 s VAL 73 CO 0.77 -0.23 0.75 1.41 0.00 0.00 0.00 175.10 177.80 1th2 n HIS 74 N 1.22 -1.75 0.01 5.22 -0.00 0.11 -4.97 115.22 115.06 1th2 n HIS 74 Ca -0.21 0.71 -0.18 0.00 -0.00 0.00 0.00 57.72 58.03 1th2 n HIS 74 Cb 0.54 -4.21 -0.09 0.00 -0.00 0.00 0.00 29.99 26.23 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 0.48 0.18 -2.67 -1.41 0.00 -1.72 -3.45 119.26 110.68 1th2 h ALA 75 Ca -0.46 -0.63 -0.59 0.00 0.00 0.00 0.00 54.91 53.23 1th2 h ALA 75 Cb 1.26 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 1th2 h ALA 75 CO 0.37 0.60 0.03 0.21 0.00 0.00 0.00 179.25 180.46 1th2 s LYS 76 N -3.48 4.23 -0.01 0.00 2.47 -1.26 -4.71 119.74 116.97 1th2 s LYS 76 Ca -0.11 0.53 -0.29 0.00 -1.56 0.00 0.00 55.97 54.54 1th2 s LYS 76 Cb 0.07 -3.55 0.11 0.00 -1.46 0.00 0.00 37.83 32.99 1th2 s LYS 76 CO 0.89 -0.15 1.28 0.20 0.16 0.00 0.00 175.35 177.73 1th2 s GLY 77 N 1.11 -0.23 0.12 5.54 0.00 -1.26 -1.26 107.32 111.34 1th2 s GLY 77 Ca 0.27 0.29 0.06 0.00 0.00 0.00 0.00 44.72 45.34 1th2 s GLY 77 CO 0.10 3.30 -0.15 0.00 0.00 0.00 0.00 173.10 176.35 1th2 s ALA 78 N -2.18 1.59 0.23 3.20 0.00 -0.66 -4.96 121.76 118.98 1th2 s ALA 78 Ca 0.23 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 50.93 1th2 s ALA 78 Cb 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 1th2 s ALA 78 CO -0.02 0.15 -0.03 0.20 0.00 0.00 0.00 175.76 176.06 1th2 s GLY 79 N -2.39 1.54 0.01 0.00 0.00 -1.26 -0.64 107.32 104.57 1th2 s GLY 79 Ca 0.09 -1.75 -0.28 0.00 0.00 0.00 0.00 44.72 42.78 1th2 s GLY 79 CO 0.04 -1.69 0.86 0.00 0.00 0.00 0.00 173.10 172.30 1th2 s ALA 80 N -3.30 -1.80 0.33 3.20 0.00 -0.91 -4.37 121.76 114.90 1th2 s ALA 80 Ca 0.27 0.98 0.08 0.00 0.00 0.00 0.00 51.96 53.29 1th2 s ALA 80 Cb 0.05 0.43 -0.06 0.00 0.00 0.00 0.00 23.12 23.53 1th2 s ALA 80 CO 0.08 -0.68 -0.08 -0.06 0.00 0.00 0.00 175.76 175.02 1th2 s PHE 81 N -3.12 2.26 0.00 0.00 0.40 -0.46 -0.54 117.98 116.53 1th2 s PHE 81 Ca 0.04 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 1th2 s PHE 81 Cb -0.01 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.20 1th2 s PHE 81 CO -0.09 0.48 0.00 0.41 0.70 0.00 0.00 175.22 176.72 1th2 n GLY 82 N -0.74 -0.36 3.78 4.36 0.00 -0.98 -1.17 105.19 110.10 1th2 n GLY 82 Ca -0.05 0.43 -0.04 0.00 0.00 0.00 0.00 46.02 46.36 1th2 n GLY 82 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1th2 s TYR 83 N 0.00 -0.09 0.12 1.61 -0.85 0.13 -2.05 117.35 116.23 1th2 s TYR 83 Ca 0.00 -0.26 0.08 0.00 -0.52 0.00 0.00 57.07 56.37 1th2 s TYR 83 Cb 0.00 0.66 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 1th2 s TYR 83 CO 0.00 -0.91 -0.20 0.12 -1.52 0.00 0.00 175.55 173.04 1th2 s PHE 84 N -3.10 1.82 -0.05 -3.49 5.36 0.11 -0.36 117.98 118.27 1th2 s PHE 84 Ca 0.14 -0.43 -0.09 0.00 -0.96 0.00 0.00 56.93 55.59 1th2 s PHE 84 Cb -0.02 -0.97 0.02 0.00 -0.34 0.00 0.00 43.02 41.71 1th2 s PHE 84 CO 0.04 0.25 0.22 -1.83 -1.46 0.00 0.00 175.22 172.44 1th2 s GLU 85 N -2.18 0.39 0.26 10.12 -1.05 -0.91 -0.87 118.70 124.46 1th2 s GLU 85 Ca 0.09 0.06 -0.24 0.00 -0.15 0.00 0.00 54.97 54.73 1th2 s GLU 85 Cb -0.09 0.18 -0.09 0.00 -0.44 0.00 0.00 34.13 33.69 1th2 s GLU 85 CO 0.05 -0.08 0.85 0.08 0.95 0.00 0.00 175.26 177.11 1th2 s VAL 86 N -0.50 4.35 0.00 1.83 1.01 -0.96 -1.76 120.40 124.36 1th2 s VAL 86 Ca -0.06 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.55 1th2 s VAL 86 Cb -0.04 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1th2 s VAL 86 CO 0.01 0.23 0.04 0.35 0.00 0.00 0.00 175.10 175.74 1th2 n THR 87 N 0.80 0.00 -3.78 3.92 -2.24 -0.88 -0.72 114.28 111.37 1th2 n THR 87 Ca -0.01 -0.04 -0.13 0.00 -2.27 0.00 0.00 64.05 61.60 1th2 n THR 87 Cb 0.50 1.91 -0.11 0.00 -2.10 0.00 0.00 70.33 70.53 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 -0.00 -0.26 -0.43 4.78 3.76 -1.14 -4.95 115.29 117.06 1th2 s HIS 88 Ca 0.00 0.60 -0.20 0.00 -0.15 0.00 0.00 55.06 55.31 1th2 s HIS 88 Cb 0.00 0.09 0.02 0.00 1.11 0.00 0.00 32.58 33.80 1th2 s HIS 88 CO 0.00 -0.19 0.58 0.34 -0.85 0.00 0.00 174.74 174.62 1th2 s ASP 89 N -0.18 6.29 -0.07 1.40 -1.08 -1.26 -4.82 116.67 116.95 1th2 s ASP 89 Ca -0.03 -0.39 0.10 0.00 -0.52 0.00 0.00 52.55 51.71 1th2 s ASP 89 Cb -0.03 -2.29 0.22 0.00 -1.46 0.00 0.00 42.92 39.36 1th2 s ASP 89 CO 0.01 -0.71 1.15 2.30 0.52 0.00 0.00 175.17 178.44 1th2 n ILE 90 N 5.72 1.48 0.16 4.11 -5.35 -1.26 -4.68 119.36 119.54 1th2 n ILE 90 Ca -0.03 -1.55 0.19 0.00 -0.27 0.00 0.00 62.75 61.09 1th2 n ILE 90 Cb 0.48 0.14 0.74 0.00 -1.74 0.00 0.00 39.64 39.27 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 0.58 0.25 0.00 7.28 1.35 -1.86 1.32 112.91 121.83 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 0.84 0.62 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1th2 h THR 91 CO 0.03 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.19 1th2 n ARG 92 N -3.45 0.78 0.00 4.72 1.85 -1.26 -3.46 116.66 115.84 1th2 n ARG 92 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 1th2 n ARG 92 Cb 0.58 -1.17 0.00 0.00 -1.05 0.00 0.00 32.46 30.82 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 -0.23 0.00 -3.84 2.89 4.01 0.45 -4.93 117.16 115.51 1th2 n TYR 93 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 1th2 n TYR 93 Cb 0.09 0.27 -0.15 0.00 -0.31 0.00 0.00 39.34 39.23 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 -4.61 0.14 -0.04 7.72 0.15 -1.00 -2.91 113.70 113.14 1th2 s SER 94 Ca 0.00 0.01 0.07 0.00 0.70 0.00 0.00 55.95 56.74 1th2 s SER 94 Cb 0.00 -0.08 0.29 0.00 -1.71 0.00 0.00 66.02 64.53 1th2 s SER 94 CO 0.00 -0.08 1.12 2.29 1.20 0.00 0.00 173.24 177.77 1th2 n LYS 95 N 3.81 2.09 -1.80 5.44 2.85 -0.36 -4.25 118.16 125.94 1th2 n LYS 95 Ca -0.23 -1.15 -0.41 0.00 -1.05 0.00 0.00 58.31 55.47 1th2 n LYS 95 Cb 0.53 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.40 1th2 n LYS 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1th2 s ALA 96 N -1.65 3.75 -0.16 0.58 0.00 -1.21 -4.83 121.76 118.24 1th2 s ALA 96 Ca 0.21 1.55 0.25 0.00 0.00 0.00 0.00 51.96 53.96 1th2 s ALA 96 Cb 0.13 -3.64 1.27 0.00 0.00 0.00 0.00 23.12 20.87 1th2 s ALA 96 CO 0.10 -0.96 1.75 0.87 0.00 0.00 0.00 175.76 177.52 1th2 h LYS 97 N 4.98 0.00 0.00 0.00 1.57 -1.92 -1.22 116.57 119.98 1th2 h LYS 97 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1th2 h LYS 97 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1th2 h LYS 97 CO 0.80 0.00 0.00 -0.24 -0.57 0.00 0.00 179.45 179.44 1th2 h VAL 98 N 0.00 0.00 -0.05 0.50 3.04 -1.95 -3.00 116.25 114.80 1th2 h VAL 98 Ca 0.00 -0.69 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 1th2 h VAL 98 Cb 0.08 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 1th2 h VAL 98 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.05 1th2 n PHE 99 N -2.87 0.05 0.00 3.17 3.72 -0.48 -4.79 117.46 116.25 1th2 n PHE 99 Ca 0.03 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1th2 n PHE 99 Cb 0.42 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 1th2 n PHE 99 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1th2 n GLU 100 N 0.74 0.00 -4.45 -1.08 4.07 -1.12 -4.64 120.64 114.16 1th2 n GLU 100 Ca 0.08 0.00 -0.22 0.00 -0.06 0.00 0.00 57.16 56.96 1th2 n GLU 100 Cb 0.34 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.62 1th2 n GLU 100 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 1th2 s HIS 101 N 0.00 2.09 0.38 4.31 -3.43 -1.26 -4.83 115.29 112.54 1th2 s HIS 101 Ca 0.00 -0.56 -0.28 0.00 -0.80 0.00 0.00 55.06 53.42 1th2 s HIS 101 Cb 0.00 -1.11 -0.10 0.00 -1.43 0.00 0.00 32.58 29.94 1th2 s HIS 101 CO 0.00 0.45 1.40 0.42 -2.00 0.00 0.00 174.74 175.01 1th2 s ILE 102 N -2.81 2.31 0.00 -5.38 -1.09 -1.26 -1.98 121.20 110.99 1th2 s ILE 102 Ca 0.29 0.30 0.00 0.00 -2.23 0.00 0.00 60.65 59.02 1th2 s ILE 102 Cb 0.01 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1th2 s ILE 102 CO 0.13 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.51 1th2 n GLY 103 N 0.60 2.79 3.32 6.18 0.00 0.10 -4.92 105.19 113.26 1th2 n GLY 103 Ca 0.02 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.49 1th2 n GLY 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1th2 n LYS 104 N -0.11 0.12 -3.43 1.61 0.00 -0.84 -4.35 118.16 111.16 1th2 n LYS 104 Ca 0.00 0.03 -0.43 0.00 0.00 0.00 0.00 58.31 57.91 1th2 n LYS 104 Cb 0.00 -1.62 -0.10 0.00 0.00 0.00 0.00 35.03 33.31 1th2 n LYS 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1th2 s ARG 105 N 6.67 3.07 -0.23 1.64 0.52 -1.26 -2.27 118.95 127.09 1th2 s ARG 105 Ca 1.22 -0.90 -0.08 0.00 -0.52 0.00 0.00 55.73 55.46 1th2 s ARG 105 Cb -1.37 -3.96 -0.03 0.00 0.52 0.00 0.00 34.95 30.11 1th2 s ARG 105 CO 0.60 -0.74 0.08 0.99 0.02 0.00 0.00 175.30 176.25 1th2 s THR 106 N 1.81 4.51 0.75 0.02 2.01 -0.05 -4.94 115.64 119.74 1th2 s THR 106 Ca 0.07 -0.11 -0.12 0.00 0.31 0.00 0.00 61.69 61.84 1th2 s THR 106 Cb -0.18 -3.09 0.05 0.00 0.01 0.00 0.00 72.50 69.28 1th2 s THR 106 CO 0.11 0.37 1.11 -2.16 -0.69 0.00 0.00 174.62 173.36 1th2 s PRO 107 N 1.27 2.29 0.25 4.92 0.04 -1.26 0.08 135.00 142.58 1th2 s PRO 107 Ca 0.05 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.39 1th2 s PRO 107 Cb -0.15 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1th2 s PRO 107 CO 0.04 -1.64 0.30 0.96 0.04 0.00 0.00 177.00 176.70 1th2 s ILE 108 N -2.60 0.00 -0.00 0.56 -4.36 -0.87 -2.24 121.20 111.69 1th2 s ILE 108 Ca 0.65 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 59.28 1th2 s ILE 108 Cb -0.20 -2.43 0.01 0.00 1.25 0.00 0.00 42.46 41.09 1th2 s ILE 108 CO 0.50 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.69 1th2 s ALA 109 N -3.89 0.06 0.12 2.27 0.00 -0.87 -2.31 121.76 117.13 1th2 s ALA 109 Ca 0.33 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.39 1th2 s ALA 109 Cb 0.03 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1th2 s ALA 109 CO 0.14 -0.01 -0.14 0.08 0.00 0.00 0.00 175.76 175.82 1th2 s VAL 110 N 0.22 1.34 -0.05 0.00 1.01 0.30 -1.00 120.40 122.23 1th2 s VAL 110 Ca -0.02 -1.67 -0.02 0.00 0.00 0.00 0.00 61.98 60.27 1th2 s VAL 110 Cb -0.03 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.89 1th2 s VAL 110 CO -0.01 -0.38 0.09 -0.60 0.00 0.00 0.00 175.10 174.21 1th2 s ARG 111 N -2.54 0.00 0.23 2.72 3.52 -0.83 -2.14 118.95 119.91 1th2 s ARG 111 Ca 0.08 0.34 0.06 0.00 -0.13 0.00 0.00 55.73 56.07 1th2 s ARG 111 Cb -0.06 -0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.02 1th2 s ARG 111 CO 0.03 -0.22 0.26 -0.06 -0.81 0.00 0.00 175.30 174.50 1th2 s PHE 112 N 1.50 3.27 -0.04 5.12 0.08 0.18 -1.88 117.98 126.21 1th2 s PHE 112 Ca -0.05 -0.05 -0.30 0.00 0.12 0.00 0.00 56.93 56.66 1th2 s PHE 112 Cb -0.12 -1.50 0.11 0.00 -0.57 0.00 0.00 43.02 40.94 1th2 s PHE 112 CO -0.04 0.49 1.32 -1.54 -0.10 0.00 0.00 175.22 175.35 1th2 s SER 113 N -3.74 -0.01 0.00 1.36 1.04 -0.73 -1.66 113.70 109.97 1th2 s SER 113 Ca 0.33 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1th2 s SER 113 Cb -0.09 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1th2 s SER 113 CO 0.27 -0.20 0.00 0.35 0.98 0.00 0.00 173.24 174.63 1th2 n THR 114 N -0.79 0.00 0.00 2.02 -2.24 -0.39 0.24 114.28 113.12 1th2 n THR 114 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1th2 n THR 114 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.00 -0.10 2.28 0.31 -1.26 -4.11 118.33 115.45 1th2 n VAL 115 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1th2 n VAL 115 Cb 0.00 -0.25 -0.03 0.00 -0.91 0.00 0.00 33.84 32.65 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 0.39 -2.52 3.52 0.00 -1.94 0.35 119.26 119.06 1th2 h ALA 116 Ca 0.00 -0.19 -0.54 0.00 0.00 0.00 0.00 54.91 54.18 1th2 h ALA 116 Cb 0.00 -0.11 0.19 0.00 0.00 0.00 0.00 17.79 17.87 1th2 h ALA 116 CO 0.00 0.08 0.11 0.41 0.00 0.00 0.00 179.25 179.84 1th2 n GLY 117 N -0.47 -0.50 3.84 0.00 0.00 -1.26 -4.90 105.19 101.89 1th2 n GLY 117 Ca -0.03 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 1th2 n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1th2 n GLU 118 N -2.73 -0.15 0.04 1.61 4.71 -1.26 -4.01 120.64 118.85 1th2 n GLU 118 Ca 0.12 -2.66 0.21 0.00 -0.01 0.00 0.00 57.16 54.82 1th2 n GLU 118 Cb 0.51 -0.68 0.73 0.00 -1.01 0.00 0.00 31.44 30.99 1th2 n GLU 118 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1th2 h SER 119 N -0.63 0.00 0.80 1.62 0.02 -1.96 -1.31 113.55 112.09 1th2 h SER 119 Ca -0.33 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.38 1th2 h SER 119 Cb 1.21 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 1th2 h SER 119 CO 0.35 0.00 -1.22 1.23 -1.14 0.00 0.00 176.83 176.04 1th2 h GLY 120 N 0.00 0.06 -1.96 -3.77 0.00 -1.97 -3.46 103.07 91.97 1th2 h GLY 120 Ca 0.23 -0.15 -0.49 0.00 0.00 0.00 0.00 47.33 46.92 1th2 h GLY 120 CO -0.00 0.13 -1.69 -1.14 0.00 0.00 0.00 176.54 173.83 1th2 n SER 121 N -3.31 -3.12 -4.92 0.19 3.41 -0.49 -5.01 113.62 100.37 1th2 n SER 121 Ca -0.06 0.03 -0.24 0.00 -0.26 0.00 0.00 58.87 58.34 1th2 n SER 121 Cb 0.98 -0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1th2 n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th2 s ALA 122 N -2.14 3.87 -0.04 7.33 0.00 -1.26 -4.87 121.76 124.65 1th2 s ALA 122 Ca 0.47 -1.15 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 1th2 s ALA 122 Cb -0.06 -1.67 -0.17 0.00 0.00 0.00 0.00 23.12 21.22 1th2 s ALA 122 CO 0.69 0.42 1.00 -0.44 0.00 0.00 0.00 175.76 177.43 1th2 h ASP 123 N 1.84 -0.17 0.00 0.00 3.32 -0.36 -3.39 116.42 117.67 1th2 h ASP 123 Ca -0.49 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.18 1th2 h ASP 123 Cb 1.21 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1th2 h ASP 123 CO 0.65 0.36 0.46 0.35 -1.72 0.00 0.00 179.24 179.34 1th2 n THR 124 N -4.93 0.00 -4.20 0.35 -2.24 -1.26 -4.84 114.28 97.16 1th2 n THR 124 Ca -0.08 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 1th2 n THR 124 Cb 0.27 -1.42 -0.10 0.00 -2.10 0.00 0.00 70.33 66.98 1th2 n THR 124 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1th2 s VAL 125 N 2.84 0.79 -0.35 2.28 0.11 -1.26 -4.38 120.40 120.43 1th2 s VAL 125 Ca 0.00 -1.97 -0.28 0.00 -2.93 0.00 0.00 61.98 56.80 1th2 s VAL 125 Cb 0.00 -1.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.01 1th2 s VAL 125 CO 0.00 -0.77 2.06 -0.60 -3.33 0.00 0.00 175.10 172.46 1th2 s ARG 126 N -3.83 2.97 -0.16 1.54 3.52 -1.26 -4.74 118.95 116.99 1th2 s ARG 126 Ca 0.15 1.55 -0.32 0.00 -0.13 0.00 0.00 55.73 56.99 1th2 s ARG 126 Cb 0.05 -4.35 0.14 0.00 -1.56 0.00 0.00 34.95 29.23 1th2 s ARG 126 CO -0.02 -2.29 1.10 0.34 -0.81 0.00 0.00 175.30 173.63 1th2 s ASP 127 N 8.15 -0.23 1.26 -2.12 2.15 -1.10 -5.05 116.67 119.72 1th2 s ASP 127 Ca 0.89 0.11 -0.21 0.00 0.43 0.00 0.00 52.55 53.77 1th2 s ASP 127 Cb -0.24 0.22 0.31 0.00 -0.30 0.00 0.00 42.92 42.91 1th2 s ASP 127 CO 0.31 -0.32 1.10 -2.65 -0.17 0.00 0.00 175.17 173.44 1th2 n PRO 128 N 0.19 -3.24 -4.60 4.34 -0.02 -1.26 -4.76 135.00 125.65 1th2 n PRO 128 Ca -0.04 -1.75 -0.22 0.00 -2.02 0.00 0.00 63.50 59.46 1th2 n PRO 128 Cb 0.59 -1.66 -0.15 0.00 -0.02 0.00 0.00 33.50 32.26 1th2 n PRO 128 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1th2 s ARG 129 N -5.49 1.08 -0.39 -0.52 3.00 -1.26 -4.22 118.95 111.15 1th2 s ARG 129 Ca 0.72 -0.48 -0.25 0.00 0.00 0.00 0.00 55.73 55.71 1th2 s ARG 129 Cb -0.07 -1.04 0.02 0.00 0.00 0.00 0.00 34.95 33.85 1th2 s ARG 129 CO 0.55 0.29 0.88 0.20 0.00 0.00 0.00 175.30 177.22 1th2 s GLY 130 N -0.33 1.57 -0.48 -3.53 0.00 0.14 -2.01 107.32 102.68 1th2 s GLY 130 Ca 0.05 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.20 1th2 s GLY 130 CO -0.00 1.95 0.23 -0.12 0.00 0.00 0.00 173.10 175.15 1th2 s PHE 131 N 3.44 2.95 -0.14 1.90 2.19 0.33 -1.76 117.98 126.89 1th2 s PHE 131 Ca 0.36 -2.96 -0.02 0.00 0.33 0.00 0.00 56.93 54.64 1th2 s PHE 131 Cb -0.12 -2.60 -0.02 0.00 -1.31 0.00 0.00 43.02 38.97 1th2 s PHE 131 CO 0.20 -0.78 -0.09 0.00 1.83 0.00 0.00 175.22 176.39 1th2 s ALA 132 N 0.02 2.80 -0.11 11.12 0.00 -0.79 -1.53 121.76 133.26 1th2 s ALA 132 Ca 0.16 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 1th2 s ALA 132 Cb -0.25 -1.35 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 1th2 s ALA 132 CO -0.01 0.26 -0.09 0.08 0.00 0.00 0.00 175.76 175.99 1th2 s VAL 133 N 0.28 3.46 -0.31 0.00 1.01 0.22 -1.97 120.40 123.10 1th2 s VAL 133 Ca -0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1th2 s VAL 133 Cb -0.15 -2.45 0.05 0.00 0.00 0.00 0.00 36.38 33.83 1th2 s VAL 133 CO 0.04 0.54 0.03 -0.75 0.00 0.00 0.00 175.10 174.96 1th2 s LYS 134 N -0.10 2.46 -0.43 2.72 2.20 -0.17 0.93 119.74 127.35 1th2 s LYS 134 Ca -0.00 -1.26 -0.18 0.00 -0.36 0.00 0.00 55.97 54.17 1th2 s LYS 134 Cb -0.13 -3.25 0.03 0.00 -1.51 0.00 0.00 37.83 32.97 1th2 s LYS 134 CO 0.03 -0.64 0.47 -0.06 -0.36 0.00 0.00 175.35 174.79 1th2 s PHE 135 N 1.28 3.15 -0.83 4.03 0.40 -0.14 -2.06 117.98 123.81 1th2 s PHE 135 Ca -0.04 -0.38 -0.24 0.00 -0.60 0.00 0.00 56.93 55.67 1th2 s PHE 135 Cb -0.20 -2.99 0.05 0.00 0.51 0.00 0.00 43.02 40.39 1th2 s PHE 135 CO -0.00 -0.74 1.28 0.71 0.70 0.00 0.00 175.22 177.16 1th2 s TYR 136 N 2.22 2.49 0.53 0.36 1.51 -0.95 -1.01 117.35 122.50 1th2 s TYR 136 Ca 0.13 -0.49 0.06 0.00 -1.01 0.00 0.00 57.07 55.76 1th2 s TYR 136 Cb -0.17 -4.57 0.06 0.00 -0.11 0.00 0.00 41.96 37.17 1th2 s TYR 136 CO 0.14 -1.92 0.52 0.25 -1.11 0.00 0.00 175.55 173.43 1th2 n THR 137 N 6.40 0.00 1.07 -0.71 -2.24 -0.92 -4.25 114.28 113.63 1th2 n THR 137 Ca 0.13 -1.97 0.14 0.00 -2.27 0.00 0.00 64.05 60.08 1th2 n THR 137 Cb 0.49 -0.23 0.57 0.00 -2.10 0.00 0.00 70.33 69.06 1th2 n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1th2 n GLU 138 N -1.89 0.09 -0.11 -0.78 4.71 -1.21 -2.92 120.64 118.52 1th2 n GLU 138 Ca 0.05 -0.02 0.08 0.00 -0.01 0.00 0.00 57.16 57.26 1th2 n GLU 138 Cb 0.58 -1.50 0.14 0.00 -1.01 0.00 0.00 31.44 29.65 1th2 n GLU 138 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1th2 n ASP 139 N -1.44 2.79 0.00 1.62 9.92 -1.26 -4.66 116.55 123.52 1th2 n ASP 139 Ca 0.08 -1.82 0.00 0.00 -0.53 0.00 0.00 54.79 52.52 1th2 n ASP 139 Cb 0.32 -0.15 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 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 0.93 0.22 3.78 0.44 0.00 -1.15 -4.81 105.19 104.61 1th2 n GLY 140 Ca 0.13 -2.30 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 1th2 n GLY 140 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th2 s ASN 141 N -1.29 7.28 -0.32 1.61 0.01 -1.26 -2.17 114.94 118.80 1th2 s ASN 141 Ca 0.00 1.51 0.01 0.00 -0.71 0.00 0.00 52.86 53.67 1th2 s ASN 141 Cb 0.00 -2.46 0.08 0.00 0.41 0.00 0.00 41.25 39.28 1th2 s ASN 141 CO 0.00 0.20 0.02 0.86 -1.51 0.00 0.00 177.10 176.67 1th2 s TRP 142 N -0.97 3.46 -0.23 2.20 -0.00 -0.18 -4.20 118.94 119.02 1th2 s TRP 142 Ca 0.34 -2.39 -0.19 0.00 -0.00 0.00 0.00 56.10 53.86 1th2 s TRP 142 Cb -0.22 -2.47 -0.03 0.00 -0.00 0.00 0.00 33.47 30.75 1th2 s TRP 142 CO 0.24 -0.89 0.54 -0.51 -0.00 0.00 0.00 176.95 176.33 1th2 s ASP 143 N 1.22 6.53 -0.65 5.86 1.01 -0.73 -0.97 116.67 128.93 1th2 s ASP 143 Ca 0.00 0.64 -0.08 0.00 0.71 0.00 0.00 52.55 53.82 1th2 s ASP 143 Cb -0.20 -2.30 0.17 0.00 1.01 0.00 0.00 42.92 41.60 1th2 s ASP 143 CO -0.05 -0.26 0.52 -0.22 0.21 0.00 0.00 175.17 175.38 1th2 s LEU 144 N 2.04 5.85 -0.57 1.23 1.98 0.26 -4.55 118.68 124.91 1th2 s LEU 144 Ca 0.24 -2.56 -0.21 0.00 -2.89 0.00 0.00 54.13 48.71 1th2 s LEU 144 Cb -0.16 -2.01 0.07 0.00 0.66 0.00 0.00 46.19 44.75 1th2 s LEU 144 CO 0.09 -0.52 0.80 -0.69 -1.89 0.00 0.00 176.35 174.15 1th2 s VAL 145 N 0.38 4.60 0.12 1.68 1.01 -1.26 0.71 120.40 127.65 1th2 s VAL 145 Ca 0.14 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1th2 s VAL 145 Cb -0.19 -4.49 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 1th2 s VAL 145 CO -0.04 -1.11 -0.03 -0.83 0.00 0.00 0.00 175.10 173.08 1th2 s GLY 146 N 3.17 0.91 0.49 4.51 0.00 -0.58 -4.82 107.32 110.99 1th2 s GLY 146 Ca 0.20 -1.43 0.08 0.00 0.00 0.00 0.00 44.72 43.57 1th2 s GLY 146 CO 0.12 -1.46 0.58 -1.31 0.00 0.00 0.00 173.10 171.03 1th2 s ASN 147 N -3.08 5.21 0.00 1.64 0.01 -0.86 0.12 114.94 117.99 1th2 s ASN 147 Ca 0.16 -0.74 0.17 0.00 -0.71 0.00 0.00 52.86 51.74 1th2 s ASN 147 Cb 0.06 -0.18 1.00 0.00 0.41 0.00 0.00 41.25 42.54 1th2 s ASN 147 CO -0.02 -0.98 1.54 -0.46 -1.51 0.00 0.00 177.10 175.68 1th2 n ASN 148 N -1.91 0.00 -4.13 -1.22 6.94 -0.85 -1.05 115.26 113.03 1th2 n ASN 148 Ca 0.08 -1.18 -0.14 0.00 -0.02 0.00 0.00 54.58 53.33 1th2 n ASN 148 Cb 0.61 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.92 1th2 n ASN 148 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1th2 s THR 149 N -2.00 0.77 -1.86 5.53 -1.32 -1.26 -4.58 115.64 110.92 1th2 s THR 149 Ca 0.25 -1.46 0.29 0.00 -1.21 0.00 0.00 61.69 59.56 1th2 s THR 149 Cb 0.12 -1.13 0.57 0.00 -1.51 0.00 0.00 72.50 70.55 1th2 s THR 149 CO 0.19 -0.52 1.92 -0.81 -2.21 0.00 0.00 174.62 173.20 1th2 n PRO 150 N 0.83 0.91 -4.52 7.08 -0.04 -1.26 -4.46 135.00 133.55 1th2 n PRO 150 Ca -0.18 -0.30 -0.26 0.00 -0.04 0.00 0.00 63.50 62.72 1th2 n PRO 150 Cb 0.57 -1.49 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.30 0.58 0.34 0.52 -4.36 -1.26 -4.35 121.20 110.36 1th2 s ILE 151 Ca 0.34 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.79 1th2 s ILE 151 Cb 0.21 -2.33 -0.02 0.00 1.25 0.00 0.00 42.46 41.56 1th2 s ILE 151 CO 0.43 0.00 0.32 0.12 0.24 0.00 0.00 174.94 176.05 1th2 s PHE 152 N -3.20 1.65 0.02 1.37 5.36 -1.09 -5.03 117.98 117.07 1th2 s PHE 152 Ca 0.23 -1.61 0.10 0.00 -0.96 0.00 0.00 56.93 54.70 1th2 s PHE 152 Cb 0.02 -0.61 -0.16 0.00 -0.34 0.00 0.00 43.02 41.94 1th2 s PHE 152 CO 0.15 -0.93 1.15 0.74 -1.46 0.00 0.00 175.22 174.86 1th2 h PHE 153 N 2.12 0.00 -2.46 10.12 -1.00 -1.89 -3.39 116.94 120.44 1th2 h PHE 153 Ca -0.25 0.00 -0.52 0.00 2.81 0.00 0.00 57.97 60.00 1th2 h PHE 153 Cb 1.23 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.66 1th2 h PHE 153 CO 1.71 0.87 -0.62 0.96 -1.61 0.00 0.00 178.31 179.63 1th2 s ILE 154 N -2.75 1.52 -0.05 -0.55 -4.36 -1.26 -2.25 121.20 111.49 1th2 s ILE 154 Ca 0.00 -2.03 0.08 0.00 -0.26 0.00 0.00 60.65 58.44 1th2 s ILE 154 Cb 0.09 -2.79 0.12 0.00 1.25 0.00 0.00 42.46 41.14 1th2 s ILE 154 CO 0.81 -0.06 1.04 -2.11 0.24 0.00 0.00 174.94 174.86 1th2 n ARG 155 N -0.75 0.64 -3.46 0.37 1.85 -1.26 -4.51 116.66 109.53 1th2 n ARG 155 Ca -0.04 -1.66 -0.14 0.00 -1.00 0.00 0.00 57.85 55.01 1th2 n ARG 155 Cb 0.66 -0.94 -0.11 0.00 -1.05 0.00 0.00 32.46 31.02 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 -1.76 0.77 0.54 2.89 -1.08 -1.26 -4.34 116.67 112.43 1th2 s ASP 156 Ca 0.14 0.08 0.47 0.00 -0.52 0.00 0.00 52.55 52.71 1th2 s ASP 156 Cb 0.12 0.73 1.70 0.00 -1.46 0.00 0.00 42.92 44.01 1th2 s ASP 156 CO 0.01 -0.30 1.57 0.00 0.52 0.00 0.00 175.17 176.97 1th2 h ALA 157 N 8.26 3.68 0.00 3.66 0.00 -1.86 0.07 119.26 133.07 1th2 h ALA 157 Ca -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1th2 h ALA 157 Cb 1.15 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1th2 h ALA 157 CO 0.26 -2.28 0.12 1.28 0.00 0.00 0.00 179.25 178.63 1th2 n LEU 158 N -4.09 0.37 -0.34 0.00 4.77 -1.26 -1.21 117.00 115.24 1th2 n LEU 158 Ca 0.44 0.62 0.04 0.00 -0.03 0.00 0.00 56.01 57.09 1th2 n LEU 158 Cb 1.94 -0.64 0.04 0.00 -2.33 0.00 0.00 43.42 42.43 1th2 n LEU 158 CO 0.40 -0.75 0.39 0.18 -1.33 0.00 0.00 177.39 176.28 1th2 n LEU 159 N -2.02 1.74 0.02 2.23 4.32 0.01 -4.69 117.00 118.62 1th2 n LEU 159 Ca -0.01 -1.03 -0.13 0.00 -0.02 0.00 0.00 56.01 54.82 1th2 n LEU 159 Cb 0.14 -0.01 -0.09 0.00 -1.62 0.00 0.00 43.42 41.84 1th2 n LEU 159 CO 0.06 0.35 0.68 0.15 -1.22 0.00 0.00 177.39 177.42 1th2 h PHE 160 N 1.66 -0.05 -0.55 -1.77 3.57 -1.30 0.10 116.94 118.60 1th2 h PHE 160 Ca 0.00 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1th2 h PHE 160 Cb 0.36 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 1th2 h PHE 160 CO 0.01 0.30 0.27 -1.00 -2.23 0.00 0.00 178.31 175.66 1th2 h PRO 161 N -0.40 0.51 -0.75 6.41 0.13 -1.84 0.68 132.00 136.73 1th2 h PRO 161 Ca -0.01 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 65.13 1th2 h PRO 161 Cb 0.37 -0.11 -0.05 0.00 0.13 0.00 0.00 31.00 31.34 1th2 h PRO 161 CO 0.01 0.34 0.48 0.77 -0.23 0.00 0.00 178.00 179.36 1th2 h SER 162 N 0.53 0.79 -0.06 1.44 0.02 -1.82 0.35 113.55 114.78 1th2 h SER 162 Ca 0.25 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1th2 h SER 162 Cb 0.17 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 1th2 h SER 162 CO -0.18 0.54 0.00 0.15 -1.14 0.00 0.00 176.83 176.21 1th2 h PHE 163 N 0.93 0.12 0.00 3.45 3.57 0.45 -1.71 116.94 123.75 1th2 h PHE 163 Ca 0.30 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1th2 h PHE 163 Cb 0.01 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1th2 h PHE 163 CO -0.03 0.37 -0.07 0.82 -2.23 0.00 0.00 178.31 177.17 1th2 h ILE 164 N -0.16 0.56 0.11 1.41 1.08 0.62 -1.33 117.51 119.79 1th2 h ILE 164 Ca 0.02 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1th2 h ILE 164 Cb 0.32 1.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 1th2 h ILE 164 CO 0.00 0.07 -0.05 0.45 -0.69 0.00 0.00 178.15 177.93 1th2 h HIS 165 N 0.00 -0.14 -0.53 1.37 3.86 -0.61 -3.11 115.15 115.99 1th2 h HIS 165 Ca -0.00 -0.00 0.16 0.00 -1.16 0.00 0.00 60.37 59.36 1th2 h HIS 165 Cb 0.18 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1th2 h HIS 165 CO 0.00 0.33 0.41 0.66 0.86 0.00 0.00 177.93 180.19 1th2 h SER 166 N -0.69 0.00 -0.17 2.45 4.64 -0.35 0.15 113.55 119.59 1th2 h SER 166 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1th2 h SER 166 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1th2 h SER 166 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1th2 n GLN 167 N -4.24 1.46 -0.12 4.77 1.13 -0.73 -3.40 117.38 116.25 1th2 n GLN 167 Ca 0.10 -0.70 0.00 0.00 -1.94 0.00 0.00 57.00 54.46 1th2 n GLN 167 Cb 0.63 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.76 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 0.02 2.72 -2.26 -1.09 5.02 0.53 -4.78 118.16 118.32 1th2 n LYS 168 Ca 0.10 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.05 1th2 n LYS 168 Cb 0.19 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.19 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 0.83 3.48 0.27 1.97 0.52 -1.26 -4.03 118.95 120.72 1th2 s ARG 169 Ca 0.00 1.35 -0.30 0.00 -0.52 0.00 0.00 55.73 56.26 1th2 s ARG 169 Cb 0.00 -2.05 -0.10 0.00 0.52 0.00 0.00 34.95 33.32 1th2 s ARG 169 CO 0.00 -0.70 1.44 1.21 0.02 0.00 0.00 175.30 177.27 1th2 s ASN 170 N -2.28 6.62 0.55 0.23 3.84 -0.06 -4.83 114.94 119.02 1th2 s ASN 170 Ca 0.67 2.72 0.28 0.00 0.21 0.00 0.00 52.86 56.74 1th2 s ASN 170 Cb -0.18 -2.63 1.46 0.00 -0.55 0.00 0.00 41.25 39.35 1th2 s ASN 170 CO 0.29 -0.71 1.95 1.55 -2.79 0.00 0.00 177.10 177.38 1th2 h PRO 171 N 4.71 0.00 0.00 0.43 0.13 -1.94 -0.68 132.00 134.64 1th2 h PRO 171 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 1th2 h PRO 171 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 1th2 h PRO 171 CO 0.76 0.00 -1.55 0.94 -0.23 0.00 0.00 178.00 177.92 1th2 n GLN 172 N -4.13 0.55 0.14 0.86 7.27 -1.26 -4.68 117.38 116.13 1th2 n GLN 172 Ca 0.11 0.26 0.01 0.00 0.07 0.00 0.00 57.00 57.45 1th2 n GLN 172 Cb 0.70 -1.48 0.17 0.00 2.41 0.00 0.00 30.24 32.03 1th2 n GLN 172 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1th2 h THR 173 N -1.00 1.18 -0.36 1.69 1.35 -1.96 -3.47 112.91 110.34 1th2 h THR 173 Ca -0.27 -2.11 -0.16 0.00 -0.55 0.00 0.00 66.41 63.32 1th2 h THR 173 Cb 1.21 2.22 -0.06 0.00 -1.73 0.00 0.00 68.15 69.78 1th2 h THR 173 CO -0.16 0.55 -0.14 1.57 -0.25 0.00 0.00 175.52 177.09 1th2 n HIS 174 N -3.54 0.00 -4.18 4.73 -0.00 -0.26 -4.93 115.22 107.05 1th2 n HIS 174 Ca -0.00 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.95 1th2 n HIS 174 Cb 0.64 -1.64 -0.06 0.00 -0.12 0.00 0.00 29.99 28.82 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 -1.72 3.58 0.34 0.27 1.43 -1.26 -4.69 118.68 116.62 1th2 s LEU 175 Ca 0.00 -0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 52.44 1th2 s LEU 175 Cb 0.00 -2.12 -0.10 0.00 0.03 0.00 0.00 46.19 44.00 1th2 s LEU 175 CO 0.00 -0.01 1.28 -0.54 0.23 0.00 0.00 176.35 177.31 1th2 s LYS 176 N -3.67 4.32 -0.26 1.70 -0.14 -1.26 -0.88 119.74 119.54 1th2 s LYS 176 Ca 0.32 2.14 0.01 0.00 -1.36 0.00 0.00 55.97 57.08 1th2 s LYS 176 Cb -0.08 -3.02 0.07 0.00 -1.68 0.00 0.00 37.83 33.13 1th2 s LYS 176 CO 0.23 -0.19 -0.02 0.34 -0.76 0.00 0.00 175.35 174.95 1th2 s ASP 177 N -0.60 4.06 0.39 2.83 -1.08 -1.26 -4.87 116.67 116.14 1th2 s ASP 177 Ca 0.50 -1.42 0.06 0.00 -0.52 0.00 0.00 52.55 51.18 1th2 s ASP 177 Cb -0.38 -1.23 0.79 0.00 -1.46 0.00 0.00 42.92 40.64 1th2 s ASP 177 CO 0.50 -0.28 2.02 1.55 0.52 0.00 0.00 175.17 179.48 1th2 h PRO 178 N 7.91 0.65 -0.76 4.34 0.13 -1.93 -0.88 132.00 141.47 1th2 h PRO 178 Ca -0.15 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.96 1th2 h PRO 178 Cb 1.05 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.00 1th2 h PRO 178 CO 0.44 0.43 0.50 -0.44 -0.23 0.00 0.00 178.00 178.70 1th2 h ASP 179 N 0.67 0.85 0.39 1.44 5.19 -1.93 -1.56 116.42 121.47 1th2 h ASP 179 Ca 0.22 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.59 1th2 h ASP 179 Cb 0.05 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.36 1th2 h ASP 179 CO -0.06 0.61 -0.19 0.24 -3.12 0.00 0.00 179.24 176.72 1th2 h MET 180 N 1.00 -0.50 -0.30 3.56 2.86 -1.50 -1.35 114.93 118.70 1th2 h MET 180 Ca 0.28 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.99 1th2 h MET 180 Cb -0.07 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.64 1th2 h MET 180 CO -0.07 -0.19 -0.43 0.28 1.06 0.00 0.00 176.91 177.55 1th2 h VAL 181 N -0.96 0.00 0.00 -2.22 2.07 -1.17 -2.00 116.25 111.97 1th2 h VAL 181 Ca -0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1th2 h VAL 181 Cb 0.54 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1th2 h VAL 181 CO 0.09 0.00 -0.18 -0.50 0.02 0.00 0.00 177.57 176.99 1th2 h TRP 182 N -0.32 0.00 0.00 1.57 4.06 -1.41 -1.16 115.95 118.69 1th2 h TRP 182 Ca 0.05 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.91 1th2 h TRP 182 Cb 0.47 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.62 1th2 h TRP 182 CO -0.69 0.18 -0.44 0.22 -3.56 0.00 0.00 178.44 174.16 1th2 h ASP 183 N 0.00 0.00 0.09 -3.49 3.58 -0.90 -0.76 116.42 114.94 1th2 h ASP 183 Ca -0.00 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.30 1th2 h ASP 183 Cb 0.79 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.85 1th2 h ASP 183 CO 0.02 0.44 -0.68 0.15 -2.88 0.00 0.00 179.24 176.29 1th2 h PHE 184 N 0.00 0.35 -0.74 0.28 3.57 -1.10 -3.06 116.94 116.25 1th2 h PHE 184 Ca -0.00 -0.26 -0.03 0.00 3.53 0.00 0.00 57.97 61.21 1th2 h PHE 184 Cb 1.03 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1th2 h PHE 184 CO 0.00 1.26 0.35 -1.49 -2.23 0.00 0.00 178.31 176.20 1th2 h TRP 185 N -0.57 1.08 -0.27 0.41 6.55 -1.21 -2.62 115.95 119.31 1th2 h TRP 185 Ca -0.13 -0.06 -0.01 0.00 0.95 0.00 0.00 58.89 59.65 1th2 h TRP 185 Cb 1.46 -0.33 -0.01 0.00 -0.86 0.00 0.00 29.16 29.42 1th2 h TRP 185 CO 0.21 0.80 0.15 0.66 -1.05 0.00 0.00 178.44 179.20 1th2 h SER 186 N 1.04 0.34 0.74 -3.49 4.64 -1.26 -2.37 113.55 113.20 1th2 h SER 186 Ca 0.25 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1th2 h SER 186 Cb 0.13 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1th2 h SER 186 CO -0.03 0.34 0.00 -0.07 -0.87 0.00 0.00 176.83 176.20 1th2 h LEU 187 N 0.33 0.00 -6.98 5.97 3.38 -1.43 -3.35 115.31 113.21 1th2 h LEU 187 Ca 0.10 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.45 1th2 h LEU 187 Cb 0.07 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.41 1th2 h LEU 187 CO -0.02 0.00 -0.69 -0.13 0.09 0.00 0.00 178.44 177.70 1th2 s ARG 188 N -3.48 1.87 0.65 1.13 1.81 -0.89 -4.95 118.95 115.08 1th2 s ARG 188 Ca 0.02 -2.74 0.40 0.00 -1.72 0.00 0.00 55.73 51.69 1th2 s ARG 188 Cb 0.09 -2.83 2.19 0.00 -0.45 0.00 0.00 34.95 33.95 1th2 s ARG 188 CO 0.43 -1.25 2.27 -1.00 -0.68 0.00 0.00 175.30 175.07 1th2 h PRO 189 N 5.89 0.00 -0.02 3.54 0.13 -1.71 -2.45 132.00 137.38 1th2 h PRO 189 Ca 0.10 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.24 1th2 h PRO 189 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1th2 h PRO 189 CO 0.60 0.00 0.29 1.05 -0.23 0.00 0.00 178.00 179.71 1th2 h GLU 190 N 0.00 0.00 0.00 0.86 9.09 -1.85 0.41 114.58 123.09 1th2 h GLU 190 Ca 0.01 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.35 1th2 h GLU 190 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.23 1th2 h GLU 190 CO -0.00 0.00 -0.32 0.66 0.05 0.00 0.00 179.01 179.40 1th2 h SER 191 N 0.00 0.00 -0.36 3.06 4.64 -0.98 -3.36 113.55 116.55 1th2 h SER 191 Ca 0.01 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.36 1th2 h SER 191 Cb 0.58 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.63 1th2 h SER 191 CO -0.00 0.32 -0.21 0.18 -0.87 0.00 0.00 176.83 176.25 1th2 n LEU 192 N -3.37 -0.38 -0.19 5.97 4.77 0.15 0.52 117.00 124.47 1th2 n LEU 192 Ca 0.01 0.90 -0.12 0.00 -0.03 0.00 0.00 56.01 56.76 1th2 n LEU 192 Cb 0.53 -0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.32 1th2 n LEU 192 CO 0.36 -0.65 0.49 -0.74 -1.33 0.00 0.00 177.39 175.53 1th2 h HIS 193 N 0.00 -1.61 -0.10 -1.77 2.76 -1.77 -0.39 115.15 112.26 1th2 h HIS 193 Ca 0.06 0.09 -0.10 0.00 -2.20 0.00 0.00 60.37 58.21 1th2 h HIS 193 Cb 0.15 0.77 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 1th2 h HIS 193 CO -0.61 -0.42 -0.40 0.37 -1.30 0.00 0.00 177.93 175.57 1th2 h GLN 194 N -0.27 0.23 -0.56 5.26 5.75 -1.27 -2.40 115.11 121.85 1th2 h GLN 194 Ca 0.09 -0.10 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 1th2 h GLN 194 Cb 0.50 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.00 1th2 h GLN 194 CO -0.63 0.59 0.29 0.28 -2.65 0.00 0.00 178.83 176.72 1th2 h VAL 195 N 0.19 0.95 -0.51 2.39 2.07 0.97 0.48 116.25 122.79 1th2 h VAL 195 Ca 0.02 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1th2 h VAL 195 Cb 0.79 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1th2 h VAL 195 CO 0.06 0.10 0.33 0.28 0.02 0.00 0.00 177.57 178.37 1th2 h SER 196 N 0.55 0.57 0.81 0.57 0.02 -0.78 -1.37 113.55 113.93 1th2 h SER 196 Ca 0.25 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1th2 h SER 196 Cb 0.15 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1th2 h SER 196 CO -0.17 0.41 -0.02 0.15 -1.14 0.00 0.00 176.83 176.07 1th2 h PHE 197 N 0.68 0.00 0.09 3.45 3.57 -0.90 -2.84 116.94 121.00 1th2 h PHE 197 Ca 0.19 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1th2 h PHE 197 Cb -0.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1th2 h PHE 197 CO -0.04 0.02 -0.04 1.25 -2.23 0.00 0.00 178.31 177.26 1th2 h LEU 198 N 0.00 -0.10 -1.11 0.59 5.85 0.10 -3.31 115.31 117.33 1th2 h LEU 198 Ca -0.00 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1th2 h LEU 198 Cb 0.43 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1th2 h LEU 198 CO 0.00 0.52 0.00 0.49 -0.34 0.00 0.00 178.44 179.11 1th2 n PHE 199 N -4.82 0.00 -2.93 1.25 3.01 -0.63 -2.49 117.46 110.84 1th2 n PHE 199 Ca -0.05 -0.05 -0.19 0.00 1.01 0.00 0.00 57.45 58.16 1th2 n PHE 199 Cb 0.21 -0.12 0.04 0.00 -0.01 0.00 0.00 39.48 39.60 1th2 n PHE 199 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1th2 s SER 200 N 0.11 5.29 0.44 4.37 1.04 -1.08 -4.23 113.70 119.64 1th2 s SER 200 Ca 0.00 -0.51 0.26 0.00 0.48 0.00 0.00 55.95 56.18 1th2 s SER 200 Cb 0.00 -0.30 1.29 0.00 0.10 0.00 0.00 66.02 67.11 1th2 s SER 200 CO 0.00 -1.12 1.74 0.44 0.98 0.00 0.00 173.24 175.28 1th2 h ASP 201 N 0.29 0.29 0.24 7.02 5.19 -1.88 0.69 116.42 128.27 1th2 h ASP 201 Ca -0.36 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.11 1th2 h ASP 201 Cb 1.28 0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.83 1th2 h ASP 201 CO 0.44 0.00 -0.06 0.03 -3.12 0.00 0.00 179.24 176.53 1th2 h ARG 202 N 0.23 0.00 -1.62 3.56 -0.00 -1.85 -3.24 114.38 111.46 1th2 h ARG 202 Ca 0.65 0.00 0.47 0.00 -0.50 0.00 0.00 59.98 60.60 1th2 h ARG 202 Cb 1.97 0.00 -0.07 0.00 0.00 0.00 0.00 29.97 31.88 1th2 h ARG 202 CO -0.26 0.06 1.16 0.41 0.00 0.00 0.00 179.97 181.34 1th2 n GLY 203 N -0.89 -0.82 2.66 0.04 0.00 0.24 -3.51 105.19 102.91 1th2 n GLY 203 Ca -0.02 0.58 -0.22 0.00 0.00 0.00 0.00 46.02 46.36 1th2 n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th2 s ILE 204 N -4.55 -0.24 0.96 -0.61 1.01 -1.22 -2.72 121.20 113.83 1th2 s ILE 204 Ca -0.04 -0.76 -0.12 0.00 0.00 0.00 0.00 60.65 59.72 1th2 s ILE 204 Cb 0.22 -0.96 0.16 0.00 0.01 0.00 0.00 42.46 41.90 1th2 s ILE 204 CO 0.74 -0.62 1.10 -2.16 0.00 0.00 0.00 174.94 174.00 1th2 s PRO 205 N 2.03 0.78 -0.69 2.79 0.04 -1.23 -0.73 135.00 137.99 1th2 s PRO 205 Ca 0.11 0.56 -0.12 0.00 0.04 0.00 0.00 61.00 61.59 1th2 s PRO 205 Cb -0.16 -1.77 0.18 0.00 0.04 0.00 0.00 34.50 32.79 1th2 s PRO 205 CO -0.27 -2.50 0.60 0.34 0.04 0.00 0.00 177.00 175.21 1th2 s ASP 206 N -3.54 6.27 0.00 6.66 2.15 0.19 -4.37 116.67 124.02 1th2 s ASP 206 Ca 0.64 -2.41 0.00 0.00 0.43 0.00 0.00 52.55 51.22 1th2 s ASP 206 Cb -0.18 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 1th2 s ASP 206 CO 0.57 -0.62 0.00 0.61 -0.17 0.00 0.00 175.17 175.55 1th2 n GLY 207 N 4.31 -1.91 0.18 2.66 0.00 -1.26 -3.89 105.19 105.28 1th2 n GLY 207 Ca 0.04 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.62 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 0.00 0.00 1.61 3.86 -1.92 -3.33 115.15 115.37 1th2 h HIS 208 Ca 0.00 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 1th2 h HIS 208 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 1th2 h HIS 208 CO 0.00 0.25 -0.32 0.00 0.86 0.00 0.00 177.93 178.72 1th2 h ARG 209 N 0.00 0.00 -0.96 2.45 3.08 -1.95 -3.21 114.38 113.80 1th2 h ARG 209 Ca -0.01 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.44 1th2 h ARG 209 Cb 1.20 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.95 1th2 h ARG 209 CO 0.03 0.32 0.67 0.72 -1.07 0.00 0.00 179.97 180.65 1th2 n HIS 210 N -4.01 3.06 -4.37 3.04 8.25 -1.25 -4.47 115.22 115.47 1th2 n HIS 210 Ca -0.02 -2.55 -0.19 0.00 -0.26 0.00 0.00 57.72 54.70 1th2 n HIS 210 Cb 0.38 -1.19 -0.10 0.00 1.12 0.00 0.00 29.99 30.19 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 -3.62 1.42 0.41 -0.41 0.23 -1.21 -1.46 119.30 114.66 1th2 s MET 211 Ca 0.61 -1.72 0.06 0.00 -1.03 0.00 0.00 55.69 53.61 1th2 s MET 211 Cb 0.49 -0.82 0.01 0.00 -1.53 0.00 0.00 34.83 32.98 1th2 s MET 211 CO 0.03 -0.05 0.57 -0.51 -2.03 0.00 0.00 175.02 173.03 1th2 s ASP 212 N -3.36 5.73 0.11 -1.18 1.01 -1.26 -4.01 116.67 113.70 1th2 s ASP 212 Ca 0.29 -0.24 0.08 0.00 0.71 0.00 0.00 52.55 53.39 1th2 s ASP 212 Cb 0.05 -0.94 -0.04 0.00 1.01 0.00 0.00 42.92 43.01 1th2 s ASP 212 CO 0.10 -0.70 -0.20 -0.83 0.21 0.00 0.00 175.17 173.75 1th2 s GLY 213 N -4.29 1.25 -0.18 0.21 0.00 -0.63 -4.13 107.32 99.55 1th2 s GLY 213 Ca 0.52 -1.27 -0.18 0.00 0.00 0.00 0.00 44.72 43.79 1th2 s GLY 213 CO 0.33 -1.28 0.50 -0.19 0.00 0.00 0.00 173.10 172.46 1th2 s TYR 214 N -1.30 -0.54 -1.46 1.90 2.02 -0.22 -2.45 117.35 115.30 1th2 s TYR 214 Ca 0.07 1.31 0.30 0.00 -0.37 0.00 0.00 57.07 58.38 1th2 s TYR 214 Cb -0.09 0.19 1.41 0.00 -0.40 0.00 0.00 41.96 43.07 1th2 s TYR 214 CO 0.04 -0.28 1.99 0.41 -1.57 0.00 0.00 175.55 176.14 1th2 n GLY 215 N 2.69 -1.20 5.00 0.71 0.00 -1.23 -2.03 105.19 109.13 1th2 n GLY 215 Ca -0.14 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1th2 n GLY 215 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1th2 n SER 216 N -1.21 0.00 -4.56 1.61 7.64 -1.26 -4.82 113.62 111.01 1th2 n SER 216 Ca 0.14 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.74 1th2 n SER 216 Cb 0.26 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.68 1th2 n SER 216 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1th2 s HIS 217 N 0.00 1.65 -0.19 1.43 3.76 -1.26 -4.73 115.29 115.94 1th2 s HIS 217 Ca 0.00 1.08 -0.13 0.00 -0.15 0.00 0.00 55.06 55.86 1th2 s HIS 217 Cb 0.00 -3.17 -0.05 0.00 1.11 0.00 0.00 32.58 30.48 1th2 s HIS 217 CO 0.00 -3.52 0.28 0.99 -0.85 0.00 0.00 174.74 171.65 1th2 s THR 218 N -2.67 5.29 0.23 1.30 2.01 -1.26 -4.65 115.64 115.90 1th2 s THR 218 Ca 0.67 0.49 0.01 0.00 0.31 0.00 0.00 61.69 63.17 1th2 s THR 218 Cb -0.22 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.68 1th2 s THR 218 CO 0.62 0.34 0.11 0.49 -0.69 0.00 0.00 174.62 175.49 1th2 n PHE 219 N 3.99 -0.51 -4.80 4.92 3.72 0.20 -3.73 117.46 121.26 1th2 n PHE 219 Ca -0.12 -1.04 -0.26 0.00 -0.05 0.00 0.00 57.45 55.99 1th2 n PHE 219 Cb 0.52 -0.18 -0.16 0.00 -0.94 0.00 0.00 39.48 38.72 1th2 n PHE 219 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1th2 s LYS 220 N -2.91 1.74 0.07 -1.08 -0.14 0.35 -0.96 119.74 116.81 1th2 s LYS 220 Ca 0.08 -0.58 0.08 0.00 -1.36 0.00 0.00 55.97 54.19 1th2 s LYS 220 Cb -0.01 -1.51 -0.03 0.00 -1.68 0.00 0.00 37.83 34.60 1th2 s LYS 220 CO 0.05 0.22 -0.19 -0.51 -0.76 0.00 0.00 175.35 174.16 1th2 s LEU 221 N 0.08 2.58 -0.09 3.17 1.43 -0.35 -0.14 118.68 125.36 1th2 s LEU 221 Ca -0.04 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.51 1th2 s LEU 221 Cb -0.12 -1.48 0.05 0.00 0.03 0.00 0.00 46.19 44.67 1th2 s LEU 221 CO 0.02 0.23 0.18 -0.69 0.23 0.00 0.00 176.35 176.31 1th2 s VAL 222 N -1.00 -0.25 0.73 -1.59 1.01 -0.77 -0.99 120.40 117.54 1th2 s VAL 222 Ca 0.15 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 1th2 s VAL 222 Cb -0.10 -0.31 0.05 0.00 0.00 0.00 0.00 36.38 36.01 1th2 s VAL 222 CO 0.07 0.13 1.08 0.54 0.00 0.00 0.00 175.10 176.92 1th2 s ASN 223 N 2.13 5.00 0.00 3.32 2.20 -0.72 -1.22 114.94 125.64 1th2 s ASN 223 Ca 0.01 0.81 0.00 0.00 -0.94 0.00 0.00 52.86 52.74 1th2 s ASN 223 Cb -0.12 -1.50 0.00 0.00 -2.00 0.00 0.00 41.25 37.64 1th2 s ASN 223 CO -0.06 -1.56 0.76 0.00 -2.94 0.00 0.00 177.10 173.30 1th2 n ALA 224 N -3.05 0.92 0.63 3.54 0.00 -1.26 0.90 120.51 122.20 1th2 n ALA 224 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1th2 n ALA 224 Cb 0.59 -0.81 0.16 0.00 0.00 0.00 0.00 19.45 19.40 1th2 n ALA 224 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1th2 n ASP 225 N -1.26 3.26 0.00 0.00 -0.08 -1.26 -4.96 116.55 112.25 1th2 n ASP 225 Ca 0.00 -2.00 0.00 0.00 -1.51 0.00 0.00 54.79 51.28 1th2 n ASP 225 Cb 0.07 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.40 1th2 n ASP 225 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1th2 n GLY 226 N 1.44 0.70 3.73 0.27 0.00 0.26 -5.00 105.19 106.59 1th2 n GLY 226 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1th2 n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1th2 s GLU 227 N -0.15 4.48 0.17 1.61 2.02 -1.26 -4.83 118.70 120.75 1th2 s GLU 227 Ca 0.00 1.05 0.08 0.00 0.02 0.00 0.00 54.97 56.12 1th2 s GLU 227 Cb 0.00 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 1th2 s GLU 227 CO 0.00 0.15 -0.08 0.00 0.02 0.00 0.00 175.26 175.34 1th2 s ALA 228 N 0.43 2.98 -0.19 5.21 0.00 -1.25 -1.75 121.76 127.19 1th2 s ALA 228 Ca 0.40 -1.42 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 1th2 s ALA 228 Cb -0.20 -0.80 0.05 0.00 0.00 0.00 0.00 23.12 22.18 1th2 s ALA 228 CO 0.22 0.50 0.50 0.54 0.00 0.00 0.00 175.76 177.52 1th2 s VAL 229 N -1.62 -0.00 0.30 0.00 0.11 -0.16 -4.71 120.40 114.32 1th2 s VAL 229 Ca 0.25 0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 59.01 1th2 s VAL 229 Cb -0.09 -0.70 -0.10 0.00 -1.53 0.00 0.00 36.38 33.96 1th2 s VAL 229 CO 0.15 0.00 1.16 -0.31 -3.33 0.00 0.00 175.10 172.78 1th2 s TYR 230 N 0.41 3.40 0.35 1.54 2.02 -0.22 -1.21 117.35 123.64 1th2 s TYR 230 Ca -0.01 1.61 0.05 0.00 -0.37 0.00 0.00 57.07 58.35 1th2 s TYR 230 Cb -0.04 -3.40 -0.03 0.00 -0.40 0.00 0.00 41.96 38.09 1th2 s TYR 230 CO -0.01 -0.96 0.18 0.00 -1.57 0.00 0.00 175.55 173.19 1th2 s LYS 232 N -3.68 0.26 0.44 0.00 2.20 -0.89 -0.62 119.74 117.45 1th2 s LYS 232 Ca 0.33 0.89 -0.19 0.00 -0.36 0.00 0.00 55.97 56.64 1th2 s LYS 232 Cb 0.03 0.14 -0.10 0.00 -1.51 0.00 0.00 37.83 36.39 1th2 s LYS 232 CO 0.19 -0.29 0.93 -0.06 -0.36 0.00 0.00 175.35 175.76 1th2 s PHE 233 N 2.54 3.36 -0.14 4.03 0.40 -1.26 -0.98 117.98 125.92 1th2 s PHE 233 Ca 0.00 1.51 -0.06 0.00 -0.60 0.00 0.00 56.93 57.79 1th2 s PHE 233 Cb -0.12 -2.79 0.07 0.00 0.51 0.00 0.00 43.02 40.69 1th2 s PHE 233 CO -0.11 -0.16 0.31 -1.01 0.70 0.00 0.00 175.22 174.95 1th2 s HIS 234 N -2.29 -0.51 -0.41 0.36 3.76 -1.02 -3.55 115.29 111.63 1th2 s HIS 234 Ca 0.60 1.10 0.02 0.00 -0.15 0.00 0.00 55.06 56.63 1th2 s HIS 234 Cb -0.09 0.08 0.12 0.00 1.11 0.00 0.00 32.58 33.80 1th2 s HIS 234 CO 0.19 -0.36 0.19 1.52 -0.85 0.00 0.00 174.74 175.42 1th2 s TYR 235 N 2.20 2.38 0.33 1.40 1.13 -1.03 0.22 117.35 123.99 1th2 s TYR 235 Ca -0.02 -2.50 -0.26 0.00 -1.41 0.00 0.00 57.07 52.89 1th2 s TYR 235 Cb -0.11 -2.16 -0.10 0.00 -1.10 0.00 0.00 41.96 38.49 1th2 s TYR 235 CO -0.10 -0.82 0.95 0.15 -2.51 0.00 0.00 175.55 173.22 1th2 s LYS 236 N 0.57 4.56 0.42 -3.49 1.02 -0.65 -1.60 119.74 120.58 1th2 s LYS 236 Ca 0.15 1.32 -0.24 0.00 0.02 0.00 0.00 55.97 57.22 1th2 s LYS 236 Cb -0.23 -2.77 -0.08 0.00 -0.52 0.00 0.00 37.83 34.24 1th2 s LYS 236 CO -0.06 0.26 1.16 -0.08 -0.92 0.00 0.00 175.35 175.71 1th2 s THR 237 N -1.65 3.19 -2.69 2.17 -1.32 -1.26 0.21 115.64 114.29 1th2 s THR 237 Ca 0.51 0.96 0.23 0.00 -1.21 0.00 0.00 61.69 62.17 1th2 s THR 237 Cb -0.18 -3.51 0.29 0.00 -1.51 0.00 0.00 72.50 67.58 1th2 s THR 237 CO 0.23 0.05 1.30 0.47 -2.21 0.00 0.00 174.62 174.46 1th2 n ASP 238 N -0.13 3.17 -1.25 8.08 8.00 -0.16 -3.90 116.55 130.36 1th2 n ASP 238 Ca 0.05 -1.98 0.12 0.00 0.71 0.00 0.00 54.79 53.69 1th2 n ASP 238 Cb 0.47 -0.11 0.28 0.00 -0.02 0.00 0.00 41.12 41.74 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 1.38 2.59 -0.83 -1.24 3.00 -1.26 -5.00 117.38 116.02 1th2 n GLN 239 Ca 0.16 -2.45 0.00 0.00 -0.01 0.00 0.00 57.00 54.70 1th2 n GLN 239 Cb 0.59 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 29.29 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 1.59 -3.79 3.70 1.08 0.00 -1.25 -4.83 105.19 101.68 1th2 n GLY 240 Ca 0.22 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1th2 n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th2 s ILE 241 N -3.10 2.88 -0.10 -0.61 1.01 -1.26 -4.55 121.20 115.48 1th2 s ILE 241 Ca 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 60.65 61.07 1th2 s ILE 241 Cb 0.00 -3.29 0.05 0.00 0.01 0.00 0.00 42.46 39.23 1th2 s ILE 241 CO 0.00 0.01 0.14 -0.75 0.00 0.00 0.00 174.94 174.34 1th2 s LYS 242 N 2.16 0.03 0.49 2.79 2.20 -0.54 -5.03 119.74 121.84 1th2 s LYS 242 Ca 0.73 0.41 0.07 0.00 -0.36 0.00 0.00 55.97 56.82 1th2 s LYS 242 Cb -0.41 -0.62 0.07 0.00 -1.51 0.00 0.00 37.83 35.36 1th2 s LYS 242 CO 0.32 -0.40 0.57 0.09 -0.36 0.00 0.00 175.35 175.57 1th2 n ASN 243 N 5.31 2.06 -4.03 1.43 3.02 -1.26 0.53 115.26 122.32 1th2 n ASN 243 Ca -0.05 -2.43 -0.24 0.00 -0.03 0.00 0.00 54.58 51.83 1th2 n ASN 243 Cb 0.50 -0.25 -0.16 0.00 -0.61 0.00 0.00 39.78 39.26 1th2 n ASN 243 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1th2 s LEU 244 N 0.00 1.68 0.49 3.41 1.43 0.09 -4.41 118.68 121.37 1th2 s LEU 244 Ca 0.43 -0.29 -0.23 0.00 -1.03 0.00 0.00 54.13 53.02 1th2 s LEU 244 Cb -0.03 -0.80 -0.08 0.00 0.03 0.00 0.00 46.19 45.31 1th2 s LEU 244 CO 0.27 0.05 1.15 -1.54 0.23 0.00 0.00 176.35 176.51 1th2 n SER 245 N 3.68 1.82 -0.32 2.29 3.41 -1.26 -4.66 113.62 118.57 1th2 n SER 245 Ca -0.22 1.00 0.19 0.00 -0.26 0.00 0.00 58.87 59.57 1th2 n SER 245 Cb 0.52 -1.45 0.38 0.00 -0.26 0.00 0.00 64.21 63.41 1th2 n SER 245 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1th2 h VAL 246 N 1.45 0.30 0.55 -3.33 2.07 -1.98 -0.55 116.25 114.76 1th2 h VAL 246 Ca -0.48 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1th2 h VAL 246 Cb 1.32 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1th2 h VAL 246 CO 0.56 0.05 -0.33 -0.33 0.02 0.00 0.00 177.57 177.54 1th2 h GLU 247 N 0.26 -0.79 -0.13 1.57 5.08 -2.00 -2.52 114.58 116.05 1th2 h GLU 247 Ca 0.65 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 59.10 1th2 h GLU 247 Cb 1.40 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 30.76 1th2 h GLU 247 CO -0.64 -0.53 -0.44 -0.44 -1.00 0.00 0.00 179.01 175.96 1th2 h ASP 248 N -0.82 -1.38 -0.94 1.42 3.32 -1.58 -1.26 116.42 115.17 1th2 h ASP 248 Ca -0.07 0.18 0.15 0.00 0.02 0.00 0.00 57.03 57.30 1th2 h ASP 248 Cb 0.65 0.56 -0.15 0.00 0.22 0.00 0.00 39.33 40.61 1th2 h ASP 248 CO 0.08 -0.44 -0.36 0.00 -1.72 0.00 0.00 179.24 176.80 1th2 n ALA 249 N -2.95 -0.11 -0.31 3.45 0.00 -0.33 0.77 120.51 121.04 1th2 n ALA 249 Ca -0.04 0.94 -0.04 0.00 0.00 0.00 0.00 53.44 54.29 1th2 n ALA 249 Cb 0.37 -0.42 0.08 0.00 0.00 0.00 0.00 19.45 19.47 1th2 n ALA 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1th2 h ALA 250 N 1.31 1.08 0.59 0.00 0.00 -0.90 1.94 119.26 123.28 1th2 h ALA 250 Ca 0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1th2 h ALA 250 Cb 0.57 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1th2 h ALA 250 CO -0.94 0.58 -0.28 -0.09 0.00 0.00 0.00 179.25 178.52 1th2 h ARG 251 N 1.17 -0.76 -0.79 0.00 2.43 0.14 -2.71 114.38 113.87 1th2 h ARG 251 Ca 0.30 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.58 1th2 h ARG 251 Cb 0.01 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 1th2 h ARG 251 CO -0.05 -0.47 0.48 -0.07 -1.51 0.00 0.00 179.97 178.35 1th2 h LEU 252 N -0.89 0.74 -0.76 3.80 4.07 0.62 0.12 115.31 123.01 1th2 h LEU 252 Ca -0.08 0.02 0.16 0.00 0.08 0.00 0.00 57.88 58.06 1th2 h LEU 252 Cb 0.64 -0.13 -0.14 0.00 1.08 0.00 0.00 40.66 42.10 1th2 h LEU 252 CO 0.13 0.48 -0.16 0.00 -1.08 0.00 0.00 178.44 177.81 1th2 n ALA 253 N -2.35 0.21 -0.01 1.53 0.00 0.66 -0.27 120.51 120.28 1th2 n ALA 253 Ca 0.11 0.83 0.08 0.00 0.00 0.00 0.00 53.44 54.45 1th2 n ALA 253 Cb 0.17 -0.51 -0.13 0.00 0.00 0.00 0.00 19.45 18.97 1th2 n ALA 253 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1th2 n HIS 254 N -5.21 0.00 0.05 0.00 1.44 -0.90 -3.29 115.22 107.31 1th2 n HIS 254 Ca 0.13 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.74 1th2 n HIS 254 Cb 0.41 -0.39 0.03 0.00 0.12 0.00 0.00 29.99 30.16 1th2 n HIS 254 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1th2 h GLU 255 N 0.00 0.39 -1.21 -1.40 4.81 0.27 -3.40 114.58 114.04 1th2 h GLU 255 Ca -0.02 -0.32 -0.21 0.00 -0.13 0.00 0.00 59.36 58.69 1th2 h GLU 255 Cb 0.79 0.07 -0.20 0.00 0.63 0.00 0.00 28.75 30.05 1th2 h GLU 255 CO 0.00 0.96 -0.56 0.34 -0.73 0.00 0.00 179.01 179.02 1th2 s ASP 256 N -6.97 -1.01 0.59 1.04 2.15 0.63 -5.01 116.67 108.10 1th2 s ASP 256 Ca -0.05 -1.85 0.29 0.00 0.43 0.00 0.00 52.55 51.36 1th2 s ASP 256 Cb 0.10 1.56 1.49 0.00 -0.30 0.00 0.00 42.92 45.77 1th2 s ASP 256 CO 0.84 -0.08 1.90 -0.65 -0.17 0.00 0.00 175.17 177.01 1th2 h PRO 257 N 5.28 0.00 -1.05 4.34 0.11 -1.55 -0.36 132.00 138.77 1th2 h PRO 257 Ca 0.09 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.53 1th2 h PRO 257 Cb 1.09 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.88 1th2 h PRO 257 CO 0.07 0.00 0.59 -0.25 -0.21 0.00 0.00 178.00 178.20 1th2 n ASP 258 N -3.66 7.21 -0.13 -2.05 8.00 -1.26 0.41 116.55 125.06 1th2 n ASP 258 Ca 0.07 -3.79 0.01 0.00 0.71 0.00 0.00 54.79 51.80 1th2 n ASP 258 Cb 0.64 -0.88 0.30 0.00 -0.02 0.00 0.00 41.12 41.16 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 2.12 0.79 -0.54 1.24 3.20 -1.40 -2.58 116.97 119.80 1th2 h TYR 259 Ca 0.56 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.34 1th2 h TYR 259 Cb 0.87 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1th2 h TYR 259 CO 1.31 0.52 -0.05 0.78 -1.64 0.00 0.00 178.16 179.08 1th2 h GLY 260 N 0.86 1.04 0.14 1.82 0.00 -1.86 -3.07 103.07 102.00 1th2 h GLY 260 Ca 0.22 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 1th2 h GLY 260 CO -0.04 0.71 -0.07 1.41 0.00 0.00 0.00 176.54 178.55 1th2 h LEU 261 N 0.87 -0.16 -0.75 3.11 4.07 -1.84 -3.00 115.31 117.61 1th2 h LEU 261 Ca 0.15 0.01 0.17 0.00 0.08 0.00 0.00 57.88 58.29 1th2 h LEU 261 Cb 0.58 0.04 -0.12 0.00 1.08 0.00 0.00 40.66 42.24 1th2 h LEU 261 CO 0.04 -0.10 0.15 0.08 -1.08 0.00 0.00 178.44 177.53 1th2 h ARG 262 N -0.21 0.22 0.00 1.13 0.11 -1.66 0.24 114.38 114.20 1th2 h ARG 262 Ca -0.02 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1th2 h ARG 262 Cb 0.14 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.17 1th2 h ARG 262 CO 0.03 0.15 0.00 -3.47 0.10 0.00 0.00 179.97 176.78 1th2 n ASP 263 N -5.20 0.00 -0.29 0.08 2.03 -1.16 0.86 116.55 112.87 1th2 n ASP 263 Ca 0.15 0.94 0.10 0.00 0.52 0.00 0.00 54.79 56.50 1th2 n ASP 263 Cb 0.49 -0.44 0.23 0.00 -0.72 0.00 0.00 41.12 40.68 1th2 n ASP 263 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1th2 h LEU 264 N 0.00 -0.27 0.37 -2.67 5.85 -1.30 0.15 115.31 117.45 1th2 h LEU 264 Ca 0.00 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1th2 h LEU 264 Cb 0.00 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1th2 h LEU 264 CO 0.00 -0.21 -0.20 0.15 -0.34 0.00 0.00 178.44 177.84 1th2 h PHE 265 N 0.12 -0.51 0.07 1.25 3.57 0.49 -3.09 116.94 118.83 1th2 h PHE 265 Ca 0.50 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 62.01 1th2 h PHE 265 Cb 0.97 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.83 1th2 h PHE 265 CO -0.39 -0.31 -0.49 -0.91 -2.23 0.00 0.00 178.31 173.98 1th2 h ASN 266 N -0.52 -1.48 -0.28 0.41 2.35 0.10 -0.56 115.58 115.60 1th2 h ASN 266 Ca -0.05 0.16 0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1th2 h ASN 266 Cb 0.41 0.56 -0.03 0.00 0.05 0.00 0.00 38.32 39.30 1th2 h ASN 266 CO 0.07 -0.52 -0.17 0.00 -1.65 0.00 0.00 177.43 175.17 1th2 n ALA 267 N -2.92 -0.18 -0.20 -0.83 0.00 0.47 0.27 120.51 117.13 1th2 n ALA 267 Ca -0.07 0.24 -0.09 0.00 0.00 0.00 0.00 53.44 53.51 1th2 n ALA 267 Cb 0.40 -0.03 0.02 0.00 0.00 0.00 0.00 19.45 19.84 1th2 n ALA 267 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1th2 h ILE 268 N 0.00 1.27 -0.41 0.00 2.04 -1.31 0.35 117.51 119.45 1th2 h ILE 268 Ca 0.04 -1.14 0.05 0.00 1.00 0.00 0.00 64.86 64.81 1th2 h ILE 268 Cb 0.11 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1th2 h ILE 268 CO -0.26 0.41 0.16 0.00 0.00 0.00 0.00 178.15 178.45 1th2 h ALA 269 N 0.97 0.49 -0.16 1.87 0.00 0.54 -0.73 119.26 122.23 1th2 h ALA 269 Ca 0.16 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1th2 h ALA 269 Cb 0.55 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1th2 h ALA 269 CO 0.03 -0.23 0.13 0.25 0.00 0.00 0.00 179.25 179.43 1th2 n THR 270 N -4.99 1.91 -0.44 0.00 -2.24 0.11 -4.80 114.28 103.82 1th2 n THR 270 Ca 0.02 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1th2 n THR 270 Cb 0.14 -1.24 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 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 0.77 0.00 2.71 3.38 0.00 -0.28 -4.84 105.19 106.93 1th2 n GLY 271 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 0.18 5.83 -4.72 1.61 4.05 0.12 -4.94 115.26 117.40 1th2 n ASN 272 Ca 0.00 -3.02 -0.42 0.00 0.45 0.00 0.00 54.58 51.59 1th2 n ASN 272 Cb 0.13 -1.49 -0.03 0.00 1.23 0.00 0.00 39.78 39.61 1th2 n ASN 272 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 1th2 s TYR 273 N 0.72 2.93 0.87 1.20 2.02 -1.26 -4.02 117.35 119.81 1th2 s TYR 273 Ca 0.47 0.44 -0.12 0.00 -0.37 0.00 0.00 57.07 57.49 1th2 s TYR 273 Cb 0.13 -4.05 0.11 0.00 -0.40 0.00 0.00 41.96 37.75 1th2 s TYR 273 CO -0.04 -3.97 1.12 -2.14 -1.57 0.00 0.00 175.55 168.95 1th2 s PRO 274 N 1.26 1.50 -0.02 -1.71 0.02 -1.24 -4.91 135.00 129.89 1th2 s PRO 274 Ca 0.73 0.47 -0.29 0.00 0.02 0.00 0.00 61.00 61.93 1th2 s PRO 274 Cb -0.47 -1.87 0.10 0.00 0.02 0.00 0.00 34.50 32.29 1th2 s PRO 274 CO 0.32 -1.99 0.85 -1.54 -0.33 0.00 0.00 177.00 174.31 1th2 s SER 275 N -3.92 -0.42 0.04 2.53 1.04 -1.25 -3.09 113.70 108.63 1th2 s SER 275 Ca 0.63 0.16 -0.00 0.00 0.48 0.00 0.00 55.95 57.21 1th2 s SER 275 Cb -0.15 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.35 1th2 s SER 275 CO 0.54 -0.61 -0.04 0.26 0.98 0.00 0.00 173.24 174.38 1th2 s TRP 276 N -2.59 0.48 -0.37 5.02 0.51 -0.94 -0.99 118.94 120.07 1th2 s TRP 276 Ca 0.01 -0.82 -0.09 0.00 -2.12 0.00 0.00 56.10 53.08 1th2 s TRP 276 Cb -0.01 -0.33 0.03 0.00 -0.81 0.00 0.00 33.47 32.35 1th2 s TRP 276 CO -0.05 -0.27 0.18 0.99 -0.51 0.00 0.00 176.95 177.28 1th2 s THR 277 N -2.85 4.30 -0.12 2.01 2.01 0.55 -1.90 115.64 119.65 1th2 s THR 277 Ca -0.02 -0.97 -0.28 0.00 0.31 0.00 0.00 61.69 60.73 1th2 s THR 277 Cb 0.00 -3.43 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 1th2 s THR 277 CO -0.06 -0.23 0.95 -0.22 -0.69 0.00 0.00 174.62 174.37 1th2 s LEU 278 N 1.50 4.23 0.00 4.42 2.96 -0.65 -1.63 118.68 129.51 1th2 s LEU 278 Ca 0.01 1.42 0.00 0.00 -0.22 0.00 0.00 54.13 55.34 1th2 s LEU 278 Cb -0.19 -3.45 -0.00 0.00 0.50 0.00 0.00 46.19 43.05 1th2 s LEU 278 CO 0.05 -0.42 0.00 -1.22 -1.32 0.00 0.00 176.35 173.44 1th2 n TYR 279 N 5.04 0.08 -3.52 5.38 4.01 0.61 -0.35 117.16 128.41 1th2 n TYR 279 Ca 0.07 -0.22 -0.18 0.00 -0.16 0.00 0.00 57.90 57.42 1th2 n TYR 279 Cb 0.49 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.44 1th2 n TYR 279 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1th2 s ILE 280 N -1.31 0.00 -0.19 -0.72 -4.36 -0.85 -2.42 121.20 111.35 1th2 s ILE 280 Ca 0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 60.65 60.36 1th2 s ILE 280 Cb 0.00 -1.00 -0.02 0.00 1.25 0.00 0.00 42.46 42.69 1th2 s ILE 280 CO 0.00 0.00 -0.04 -1.10 0.24 0.00 0.00 174.94 174.05 1th2 s GLN 281 N -1.21 3.54 -0.15 0.37 -0.21 -0.15 -1.97 119.66 119.88 1th2 s GLN 281 Ca -0.10 -0.57 -0.05 0.00 0.02 0.00 0.00 55.36 54.65 1th2 s GLN 281 Cb -0.00 -2.97 -0.04 0.00 1.00 0.00 0.00 33.01 31.01 1th2 s GLN 281 CO 0.09 0.03 0.04 0.08 -2.12 0.00 0.00 175.29 173.42 1th2 s VAL 282 N 0.90 4.59 -0.17 1.09 1.01 -1.26 -2.09 120.40 124.47 1th2 s VAL 282 Ca -0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 1th2 s VAL 282 Cb -0.15 -3.02 0.06 0.00 0.00 0.00 0.00 36.38 33.28 1th2 s VAL 282 CO 0.01 0.52 0.07 -0.32 0.00 0.00 0.00 175.10 175.38 1th2 s MET 283 N -0.10 0.28 1.02 2.72 0.00 0.11 -4.94 119.30 118.38 1th2 s MET 283 Ca 0.06 -0.17 -0.11 0.00 0.00 0.00 0.00 55.69 55.46 1th2 s MET 283 Cb -0.12 -1.83 0.20 0.00 0.00 0.00 0.00 34.83 33.08 1th2 s MET 283 CO 0.01 -0.63 1.09 0.95 0.00 0.00 0.00 175.02 176.44 1th2 s THR 284 N 2.04 2.17 0.19 10.11 -4.23 -1.26 -1.06 115.64 123.61 1th2 s THR 284 Ca 0.01 0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 60.49 1th2 s THR 284 Cb -0.16 -2.17 0.11 0.00 1.34 0.00 0.00 72.50 71.62 1th2 s THR 284 CO -0.08 -0.07 1.72 -0.26 -0.54 0.00 0.00 174.62 175.39 1th2 h PHE 285 N -2.13 1.13 -0.03 3.99 -1.00 -1.96 -1.82 116.94 115.13 1th2 h PHE 285 Ca -0.52 -0.12 0.01 0.00 2.81 0.00 0.00 57.97 60.15 1th2 h PHE 285 Cb 1.30 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 40.52 1th2 h PHE 285 CO 0.39 0.91 -0.10 0.77 -1.61 0.00 0.00 178.31 178.67 1th2 h SER 286 N 1.03 -0.31 -0.90 2.17 0.02 -1.99 0.23 113.55 113.80 1th2 h SER 286 Ca 0.22 0.04 0.25 0.00 -0.84 0.00 0.00 61.79 61.46 1th2 h SER 286 Cb 0.32 0.12 -0.15 0.00 0.14 0.00 0.00 62.40 62.84 1th2 h SER 286 CO -0.00 -0.09 0.26 -0.33 -1.14 0.00 0.00 176.83 175.52 1th2 h GLU 287 N -0.11 0.19 -0.58 3.45 5.08 -1.89 0.42 114.58 121.15 1th2 h GLU 287 Ca 0.01 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1th2 h GLU 287 Cb 0.12 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1th2 h GLU 287 CO -0.08 0.13 0.39 0.00 -1.00 0.00 0.00 179.01 178.45 1th2 h ALA 288 N 1.80 1.76 0.00 3.43 0.00 -0.29 0.27 119.26 126.24 1th2 h ALA 288 Ca 0.58 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1th2 h ALA 288 Cb 1.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1th2 h ALA 288 CO -0.67 0.16 -0.06 0.93 0.00 0.00 0.00 179.25 179.61 1th2 h GLU 289 N 0.62 0.00 0.00 0.00 4.39 0.18 -3.16 114.58 116.61 1th2 h GLU 289 Ca 0.24 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.83 1th2 h GLU 289 Cb 0.18 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1th2 h GLU 289 CO -0.07 0.06 -2.11 1.51 -1.16 0.00 0.00 179.01 177.24 1th2 n ILE 290 N -3.21 0.43 -1.50 3.13 0.00 0.70 -5.01 119.36 113.91 1th2 n ILE 290 Ca -0.00 -0.61 -0.58 0.00 0.00 0.00 0.00 62.75 61.56 1th2 n ILE 290 Cb 0.31 -0.14 -0.08 0.00 0.00 0.00 0.00 39.64 39.73 1th2 n ILE 290 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1th2 n PHE 291 N -2.41 0.64 0.01 9.51 7.35 0.23 -4.77 117.46 128.03 1th2 n PHE 291 Ca -0.13 1.03 0.01 0.00 -0.76 0.00 0.00 57.45 57.59 1th2 n PHE 291 Cb 0.75 -2.10 0.03 0.00 0.35 0.00 0.00 39.48 38.51 1th2 n PHE 291 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1th2 n PRO 292 N 1.54 0.01 -4.27 -7.13 -0.04 -1.26 -4.64 135.00 119.20 1th2 n PRO 292 Ca 0.20 0.51 -0.16 0.00 -0.04 0.00 0.00 63.50 64.01 1th2 n PRO 292 Cb 0.10 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 31.94 1th2 n PRO 292 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1th2 s PHE 293 N -3.03 1.44 -0.27 0.54 0.08 -1.26 -5.10 117.98 110.37 1th2 s PHE 293 Ca -0.00 -1.37 -0.29 0.00 0.12 0.00 0.00 56.93 55.39 1th2 s PHE 293 Cb 0.00 -0.73 -0.02 0.00 -0.57 0.00 0.00 43.02 41.70 1th2 s PHE 293 CO 0.01 -0.57 1.64 1.21 -0.10 0.00 0.00 175.22 177.41 1th2 s ASN 294 N -3.28 6.25 0.00 1.36 3.84 -1.26 -4.84 114.94 117.01 1th2 s ASN 294 Ca 0.38 1.45 0.07 0.00 0.21 0.00 0.00 52.86 54.96 1th2 s ASN 294 Cb 0.06 -2.53 0.31 0.00 -0.55 0.00 0.00 41.25 38.54 1th2 s ASN 294 CO 0.16 -1.39 1.17 -2.65 -2.79 0.00 0.00 177.10 171.60 1th2 n PRO 295 N 7.90 0.03 -0.20 0.43 -0.02 -1.26 -1.61 135.00 140.27 1th2 n PRO 295 Ca 0.20 0.33 0.07 0.00 -2.02 0.00 0.00 63.50 62.07 1th2 n PRO 295 Cb 0.46 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.62 1th2 n PRO 295 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1th2 n PHE 296 N -1.43 0.54 -2.74 6.00 3.72 -1.26 -4.70 117.46 117.59 1th2 n PHE 296 Ca 0.02 -0.47 -0.42 0.00 -0.05 0.00 0.00 57.45 56.53 1th2 n PHE 296 Cb 0.07 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 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 -1.01 7.09 0.47 4.37 -1.08 -0.63 -4.47 116.67 121.41 1th2 s ASP 297 Ca 0.28 1.35 0.31 0.00 -0.52 0.00 0.00 52.55 53.97 1th2 s ASP 297 Cb 0.15 -2.52 1.23 0.00 -1.46 0.00 0.00 42.92 40.32 1th2 s ASP 297 CO 0.19 -0.52 1.90 0.25 0.52 0.00 0.00 175.17 177.51 1th2 h LEU 298 N 8.70 0.00 -2.18 -1.34 5.85 -1.89 -2.75 115.31 121.70 1th2 h LEU 298 Ca -0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1th2 h LEU 298 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1th2 h LEU 298 CO 0.90 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.35 1th2 n THR 299 N -2.88 1.28 -4.26 1.05 -2.24 -1.26 -2.67 114.28 103.30 1th2 n THR 299 Ca 0.01 -0.70 -0.15 0.00 -2.27 0.00 0.00 64.05 60.94 1th2 n THR 299 Cb 0.30 -0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.85 1.09 0.27 -0.78 -0.14 -1.04 -4.90 119.74 112.39 1th2 s LYS 300 Ca 0.29 -1.46 0.07 0.00 -1.36 0.00 0.00 55.97 53.51 1th2 s LYS 300 Cb 0.21 -0.68 -0.06 0.00 -1.68 0.00 0.00 37.83 35.62 1th2 s LYS 300 CO 0.10 0.09 -0.07 0.14 -0.76 0.00 0.00 175.35 174.86 1th2 s VAL 301 N -3.25 1.67 -0.42 3.17 -7.23 -1.26 -4.84 120.40 108.24 1th2 s VAL 301 Ca 0.17 -2.14 -0.13 0.00 -1.81 0.00 0.00 61.98 58.07 1th2 s VAL 301 Cb 0.02 -2.41 0.05 0.00 0.56 0.00 0.00 36.38 34.60 1th2 s VAL 301 CO 0.01 -0.33 0.30 0.26 -0.31 0.00 0.00 175.10 175.04 1th2 s TRP 302 N -3.00 3.25 -0.12 2.82 0.51 -1.26 -5.03 118.94 116.12 1th2 s TRP 302 Ca 0.29 -0.90 -0.38 0.00 -2.12 0.00 0.00 56.10 52.98 1th2 s TRP 302 Cb 0.03 -2.78 -0.16 0.00 -0.81 0.00 0.00 33.47 29.75 1th2 s TRP 302 CO 0.11 -0.70 1.61 -2.30 -0.51 0.00 0.00 176.95 175.16 1th2 n PRO 303 N 5.11 1.29 -0.30 4.98 -0.02 -1.26 -4.78 135.00 140.01 1th2 n PRO 303 Ca -0.12 0.47 0.21 0.00 -2.02 0.00 0.00 63.50 62.04 1th2 n PRO 303 Cb 0.45 -2.16 0.50 0.00 -0.02 0.00 0.00 33.50 32.27 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 6.41 0.65 -0.46 6.00 3.86 -1.96 -1.24 115.15 128.41 1th2 h HIS 304 Ca -0.47 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.77 1th2 h HIS 304 Cb 1.32 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.57 1th2 h HIS 304 CO 0.71 0.10 0.30 0.78 0.86 0.00 0.00 177.93 180.69 1th2 h GLY 305 N 0.43 0.65 1.74 2.45 0.00 -1.99 -1.24 103.07 105.11 1th2 h GLY 305 Ca 0.56 -0.24 -0.21 0.00 0.00 0.00 0.00 47.33 47.44 1th2 h GLY 305 CO -0.26 0.23 -0.94 -0.55 0.00 0.00 0.00 176.54 175.01 1th2 h ASP 306 N 0.61 0.30 -2.81 0.19 3.32 -1.67 -3.40 116.42 112.96 1th2 h ASP 306 Ca 0.17 -0.26 -0.59 0.00 0.02 0.00 0.00 57.03 56.37 1th2 h ASP 306 Cb -0.06 -0.09 -0.39 0.00 0.22 0.00 0.00 39.33 39.01 1th2 h ASP 306 CO -0.04 1.09 -0.83 -0.31 -1.72 0.00 0.00 179.24 177.42 1th2 s TYR 307 N -3.10 1.29 0.94 4.55 2.02 -0.56 -5.07 117.35 117.42 1th2 s TYR 307 Ca -0.03 -2.09 -0.11 0.00 -0.37 0.00 0.00 57.07 54.47 1th2 s TYR 307 Cb 0.09 -1.27 0.16 0.00 -0.40 0.00 0.00 41.96 40.54 1th2 s TYR 307 CO 0.84 -0.80 1.10 -1.25 -1.57 0.00 0.00 175.55 173.87 1th2 s PRO 308 N 0.51 0.86 -0.19 -1.71 0.04 -0.49 -4.37 135.00 129.65 1th2 s PRO 308 Ca 0.22 1.16 -0.18 0.00 0.04 0.00 0.00 61.00 62.24 1th2 s PRO 308 Cb -0.16 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 1th2 s PRO 308 CO -0.05 -2.61 0.49 -0.51 0.04 0.00 0.00 177.00 174.36 1th2 s LEU 309 N -6.53 4.16 -0.23 -3.56 1.43 -1.26 -4.48 118.68 108.20 1th2 s LEU 309 Ca 0.65 0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 54.30 1th2 s LEU 309 Cb -0.21 -2.67 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 1th2 s LEU 309 CO 0.59 -0.15 0.17 -0.63 0.23 0.00 0.00 176.35 176.56 1th2 s ILE 310 N 1.51 5.35 0.58 -0.59 1.09 -0.83 -4.85 121.20 123.47 1th2 s ILE 310 Ca 0.23 0.21 -0.18 0.00 -1.10 0.00 0.00 60.65 59.82 1th2 s ILE 310 Cb -0.15 -3.51 -0.04 0.00 -1.06 0.00 0.00 42.46 37.70 1th2 s ILE 310 CO 0.09 0.35 1.11 -2.84 -0.10 0.00 0.00 174.94 173.55 1th2 s PRO 311 N 1.02 3.20 0.00 2.79 0.02 -1.26 -2.01 135.00 138.75 1th2 s PRO 311 Ca 0.08 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.60 1th2 s PRO 311 Cb -0.13 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.39 1th2 s PRO 311 CO 0.04 -0.95 0.00 1.33 -0.33 0.00 0.00 177.00 177.09 1th2 n VAL 312 N -1.69 0.00 -3.54 3.83 0.24 0.53 -4.66 118.33 113.03 1th2 n VAL 312 Ca 0.11 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.40 1th2 n VAL 312 Cb 0.51 -0.02 0.01 0.00 -1.47 0.00 0.00 33.84 32.87 1th2 n VAL 312 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1th2 n GLY 313 N 1.14 1.14 3.21 7.63 0.00 -1.07 -2.07 105.19 115.17 1th2 n GLY 313 Ca 0.00 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 1th2 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1th2 s LYS 314 N -2.02 1.69 -0.25 1.61 1.02 -0.72 -1.63 119.74 119.44 1th2 s LYS 314 Ca 0.07 -0.73 -0.02 0.00 0.02 0.00 0.00 55.97 55.31 1th2 s LYS 314 Cb -0.01 -1.62 0.02 0.00 -0.52 0.00 0.00 37.83 35.71 1th2 s LYS 314 CO 0.02 0.42 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.31 1th2 s LEU 315 N -0.43 3.20 -0.21 3.17 1.43 -0.80 -2.15 118.68 122.90 1th2 s LEU 315 Ca 0.07 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.34 1th2 s LEU 315 Cb -0.08 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.50 1th2 s LEU 315 CO -0.00 -0.12 -0.15 -0.69 0.23 0.00 0.00 176.35 175.61 1th2 s VAL 316 N 1.34 2.02 -0.55 -1.59 1.01 0.52 -2.22 120.40 120.93 1th2 s VAL 316 Ca 0.01 -1.18 -0.17 0.00 0.00 0.00 0.00 61.98 60.63 1th2 s VAL 316 Cb -0.16 -1.97 0.10 0.00 0.00 0.00 0.00 36.38 34.35 1th2 s VAL 316 CO -0.04 0.28 0.57 -0.76 0.00 0.00 0.00 175.10 175.16 1th2 s LEU 317 N 1.25 5.68 -0.03 3.92 1.43 -1.18 0.22 118.68 129.96 1th2 s LEU 317 Ca -0.01 -1.49 0.05 0.00 -1.03 0.00 0.00 54.13 51.65 1th2 s LEU 317 Cb -0.16 -2.27 0.09 0.00 0.03 0.00 0.00 46.19 43.88 1th2 s LEU 317 CO -0.09 -0.93 1.05 -0.46 0.23 0.00 0.00 176.35 176.15 1th2 n ASN 318 N 5.75 2.15 -3.86 2.29 0.23 -0.32 -3.71 115.26 117.79 1th2 n ASN 318 Ca -0.11 -2.25 -0.12 0.00 -0.53 0.00 0.00 54.58 51.57 1th2 n ASN 318 Cb 0.42 -0.11 -0.13 0.00 -2.08 0.00 0.00 39.78 37.88 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 -1.43 0.11 0.06 -3.83 3.52 -0.56 -5.00 118.95 111.83 1th2 s ARG 319 Ca 0.09 0.03 0.01 0.00 -0.13 0.00 0.00 55.73 55.73 1th2 s ARG 319 Cb 0.07 0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.47 1th2 s ARG 319 CO 0.02 -0.02 0.15 -0.80 -0.81 0.00 0.00 175.30 173.84 1th2 s ASN 320 N -0.12 5.99 0.47 -2.12 0.01 -1.26 -1.35 114.94 116.55 1th2 s ASN 320 Ca -0.02 0.15 -0.23 0.00 -0.71 0.00 0.00 52.86 52.05 1th2 s ASN 320 Cb -0.01 -1.75 -0.08 0.00 0.41 0.00 0.00 41.25 39.81 1th2 s ASN 320 CO 0.00 0.18 1.13 -0.81 -1.51 0.00 0.00 177.10 176.09 1th2 n PRO 321 N 0.41 1.49 -0.00 -0.60 -0.04 -1.26 -4.91 135.00 130.09 1th2 n PRO 321 Ca -0.07 0.54 -0.10 0.00 -0.04 0.00 0.00 63.50 63.83 1th2 n PRO 321 Cb 0.51 -2.24 -0.14 0.00 -0.04 0.00 0.00 33.50 31.59 1th2 n PRO 321 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1th2 h VAL 322 N 1.50 0.94 -3.05 0.52 2.07 -1.99 -3.43 116.25 112.80 1th2 h VAL 322 Ca -0.47 -2.75 -0.49 0.00 0.82 0.00 0.00 66.70 63.81 1th2 h VAL 322 Cb 1.32 2.50 -0.40 0.00 -1.52 0.00 0.00 31.29 33.19 1th2 h VAL 322 CO 0.57 0.61 -0.76 0.21 0.02 0.00 0.00 177.57 178.21 1th2 s ASN 323 N -6.33 2.81 0.13 0.57 3.84 -1.26 -5.07 114.94 109.64 1th2 s ASN 323 Ca -0.06 -0.86 -0.30 0.00 0.21 0.00 0.00 52.86 51.85 1th2 s ASN 323 Cb 0.08 -0.37 -0.06 0.00 -0.55 0.00 0.00 41.25 40.34 1th2 s ASN 323 CO 0.82 -0.36 1.57 0.22 -2.79 0.00 0.00 177.10 176.56 1th2 h TYR 324 N 8.36 -1.37 0.00 0.43 3.20 -1.97 -2.26 116.97 123.36 1th2 h TYR 324 Ca -0.16 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1th2 h TYR 324 Cb 1.11 0.63 0.00 0.00 1.54 0.00 0.00 36.73 40.01 1th2 h TYR 324 CO 0.22 -0.49 0.00 0.34 -1.64 0.00 0.00 178.16 176.59 1th2 n PHE 325 N -5.42 0.00 -0.35 -3.82 7.35 -1.26 0.16 117.46 114.11 1th2 n PHE 325 Ca -0.03 0.00 0.26 0.00 -0.76 0.00 0.00 57.45 56.91 1th2 n PHE 325 Cb 0.36 -0.35 0.51 0.00 0.35 0.00 0.00 39.48 40.35 1th2 n PHE 325 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1th2 h ALA 326 N -1.56 2.10 0.00 3.13 0.00 -1.96 -0.88 119.26 120.08 1th2 h ALA 326 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1th2 h ALA 326 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1th2 h ALA 326 CO 0.00 -0.70 -1.94 0.39 0.00 0.00 0.00 179.25 177.00 1th2 n GLU 327 N -4.96 0.64 0.02 0.00 1.02 -0.85 -4.50 120.64 111.99 1th2 n GLU 327 Ca 0.32 -0.16 -0.01 0.00 -0.02 0.00 0.00 57.16 57.29 1th2 n GLU 327 Cb 1.05 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.99 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 -2.23 0.62 0.04 2.62 0.31 0.41 -4.42 118.33 115.67 1th2 n VAL 328 Ca -0.06 0.18 0.03 0.00 -0.01 0.00 0.00 64.34 64.47 1th2 n VAL 328 Cb 0.57 -1.57 0.39 0.00 -0.91 0.00 0.00 33.84 32.32 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 -0.04 0.45 -0.01 5.55 4.57 -1.23 -2.39 114.58 121.48 1th2 h GLU 329 Ca -0.02 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1th2 h GLU 329 Cb 0.56 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1th2 h GLU 329 CO -0.01 0.41 -0.06 0.94 -1.18 0.00 0.00 179.01 179.10 1th2 n GLN 330 N -4.38 0.97 -0.30 1.92 7.27 -0.37 -4.94 117.38 117.56 1th2 n GLN 330 Ca 0.02 -0.34 -0.17 0.00 0.07 0.00 0.00 57.00 56.58 1th2 n GLN 330 Cb 0.16 -1.49 0.16 0.00 2.41 0.00 0.00 30.24 31.48 1th2 n GLN 330 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1th2 n LEU 331 N -0.72 0.00 -3.15 1.69 4.77 -0.90 -4.86 117.00 113.84 1th2 n LEU 331 Ca 0.18 -0.48 0.05 0.00 -0.03 0.00 0.00 56.01 55.73 1th2 n LEU 331 Cb 0.26 -0.66 -0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1th2 n LEU 331 CO 0.21 -2.32 0.37 0.00 -1.33 0.00 0.00 177.39 174.31 1th2 s ALA 332 N -2.06 -3.08 -0.27 -1.18 0.00 -1.26 -5.01 121.76 108.90 1th2 s ALA 332 Ca 0.36 1.44 -0.09 0.00 0.00 0.00 0.00 51.96 53.68 1th2 s ALA 332 Cb -0.06 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 1th2 s ALA 332 CO 0.31 -1.64 0.13 -0.06 0.00 0.00 0.00 175.76 174.49 1th2 s PHE 333 N 2.91 3.15 -0.36 0.00 0.08 -1.26 -4.94 117.98 117.56 1th2 s PHE 333 Ca 0.13 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.91 1th2 s PHE 333 Cb -0.10 -2.31 0.10 0.00 -0.57 0.00 0.00 43.02 40.14 1th2 s PHE 333 CO -0.19 -0.31 0.10 -0.51 -0.10 0.00 0.00 175.22 174.20 1th2 s ASP 334 N 1.66 4.97 0.55 1.36 1.01 -1.26 -4.86 116.67 120.11 1th2 s ASP 334 Ca 0.06 -1.95 0.44 0.00 0.71 0.00 0.00 52.55 51.81 1th2 s ASP 334 Cb -0.16 -1.72 1.66 0.00 1.01 0.00 0.00 42.92 43.71 1th2 s ASP 334 CO 0.07 -0.42 1.68 -0.65 0.21 0.00 0.00 175.17 176.05 1th2 h PRO 335 N 7.85 0.00 0.00 8.23 0.11 -1.81 1.53 132.00 147.91 1th2 h PRO 335 Ca -0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1th2 h PRO 335 Cb 1.04 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1th2 h PRO 335 CO 0.59 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.04 1th2 h SER 336 N 0.00 0.00 -0.52 -2.05 4.64 -1.81 -3.39 113.55 110.43 1th2 h SER 336 Ca 0.77 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.54 1th2 h SER 336 Cb 3.10 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 65.14 1th2 h SER 336 CO -0.01 0.00 1.89 0.59 -0.87 0.00 0.00 176.83 178.42 1th2 n ASN 337 N -2.74 3.83 -4.13 4.97 5.03 0.52 -4.90 115.26 117.85 1th2 n ASN 337 Ca 0.01 -2.80 -0.31 0.00 0.87 0.00 0.00 54.58 52.36 1th2 n ASN 337 Cb 0.28 -1.66 -0.17 0.00 -1.02 0.00 0.00 39.78 37.21 1th2 n ASN 337 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 1th2 s MET 338 N 5.06 2.69 0.75 3.52 -1.94 -1.26 -1.78 119.30 126.35 1th2 s MET 338 Ca 0.59 -0.73 -0.09 0.00 -1.71 0.00 0.00 55.69 53.75 1th2 s MET 338 Cb 0.05 -2.20 0.08 0.00 2.01 0.00 0.00 34.83 34.76 1th2 s MET 338 CO 0.09 -0.03 1.08 -1.25 -0.01 0.00 0.00 175.02 174.90 1th2 s PRO 339 N 0.87 1.97 0.03 2.03 0.04 -1.26 -4.91 135.00 133.77 1th2 s PRO 339 Ca -0.07 -0.22 -0.36 0.00 0.04 0.00 0.00 61.00 60.38 1th2 s PRO 339 Cb -0.15 -2.09 -0.15 0.00 0.04 0.00 0.00 34.50 32.14 1th2 s PRO 339 CO -0.01 -1.45 1.55 -2.30 0.04 0.00 0.00 177.00 174.82 1th2 n PRO 340 N -3.09 1.60 0.00 0.56 -0.02 -1.26 -1.90 135.00 130.89 1th2 n PRO 340 Ca 0.09 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1th2 n PRO 340 Cb 0.60 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 3.29 1.35 2.96 -1.23 0.00 -1.26 -3.33 105.19 106.97 1th2 n GLY 341 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.12 0.76 0.17 -0.61 1.01 -0.80 -1.85 121.20 117.77 1th2 s ILE 342 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 1th2 s ILE 342 Cb 0.00 -0.72 -0.02 0.00 0.01 0.00 0.00 42.46 41.73 1th2 s ILE 342 CO 0.00 0.26 0.25 -1.61 0.00 0.00 0.00 174.94 173.85 1th2 s GLU 343 N 0.66 1.18 0.19 2.79 2.02 0.80 -4.49 118.70 121.85 1th2 s GLU 343 Ca -0.11 -1.29 -0.03 0.00 0.02 0.00 0.00 54.97 53.56 1th2 s GLU 343 Cb -0.14 0.35 0.04 0.00 0.10 0.00 0.00 34.13 34.49 1th2 s GLU 343 CO 0.01 -0.42 0.26 -0.35 0.02 0.00 0.00 175.26 174.78 1th2 n PRO 344 N -0.23 -0.13 -4.35 0.39 -0.04 -1.26 0.13 135.00 129.51 1th2 n PRO 344 Ca -0.05 -0.44 -0.18 0.00 -0.04 0.00 0.00 63.50 62.79 1th2 n PRO 344 Cb 0.63 -0.25 -0.10 0.00 -0.04 0.00 0.00 33.50 33.74 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 -1.96 1.55 0.00 3.54 1.04 -1.24 -3.97 113.70 112.66 1th2 s SER 345 Ca 0.15 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.13 1th2 s SER 345 Cb -0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1th2 s SER 345 CO 0.10 -0.77 0.33 -0.81 0.98 0.00 0.00 173.24 173.07 1th2 n PRO 346 N -0.56 0.57 -1.81 4.02 -0.04 -1.26 -4.63 135.00 131.30 1th2 n PRO 346 Ca -0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1th2 n PRO 346 Cb 0.66 -1.28 -0.03 0.00 -0.04 0.00 0.00 33.50 32.81 1th2 n PRO 346 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1th2 s ASP 347 N -0.23 4.95 0.51 3.54 -1.08 -1.26 -4.83 116.67 118.27 1th2 s ASP 347 Ca 0.00 0.78 0.44 0.00 -0.52 0.00 0.00 52.55 53.25 1th2 s ASP 347 Cb 0.00 -2.52 1.65 0.00 -1.46 0.00 0.00 42.92 40.59 1th2 s ASP 347 CO 0.00 -2.55 1.56 0.29 0.52 0.00 0.00 175.17 174.99 1th2 n LYS 348 N 9.05 -0.01 -0.04 4.34 5.02 -1.26 -0.36 118.16 134.90 1th2 n LYS 348 Ca 0.28 1.14 -0.11 0.00 -2.02 0.00 0.00 58.31 57.60 1th2 n LYS 348 Cb 0.53 -2.49 -0.10 0.00 -0.02 0.00 0.00 35.03 32.95 1th2 n LYS 348 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1th2 h MET 349 N 0.00 -0.04 -0.27 1.97 2.86 -1.88 -2.95 114.93 114.62 1th2 h MET 349 Ca 0.92 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 58.63 1th2 h MET 349 Cb 3.45 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 35.05 1th2 h MET 349 CO -0.17 0.65 -0.21 1.25 1.06 0.00 0.00 176.91 179.49 1th2 h LEU 350 N -0.92 -0.70 -1.05 1.22 5.85 -1.06 0.19 115.31 118.85 1th2 h LEU 350 Ca -0.00 0.14 0.31 0.00 0.84 0.00 0.00 57.88 59.17 1th2 h LEU 350 Cb 0.71 0.34 -0.14 0.00 0.37 0.00 0.00 40.66 41.94 1th2 h LEU 350 CO 0.01 -0.25 0.60 1.56 -0.34 0.00 0.00 178.44 180.01 1th2 h GLN 351 N -0.20 0.34 -0.20 1.25 1.08 -0.99 0.81 115.11 117.20 1th2 h GLN 351 Ca 0.15 -0.02 -0.16 0.00 -1.45 0.00 0.00 58.65 57.17 1th2 h GLN 351 Cb 0.43 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1th2 h GLN 351 CO -0.39 0.23 -0.53 0.78 -0.95 0.00 0.00 178.83 177.96 1th2 h GLY 352 N 0.35 0.64 2.00 3.46 0.00 -0.48 -2.98 103.07 106.07 1th2 h GLY 352 Ca 0.72 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1th2 h GLY 352 CO -0.56 0.66 -0.10 3.21 0.00 0.00 0.00 176.54 179.75 1th2 h ARG 353 N 0.45 0.00 -0.41 4.80 3.08 0.17 -2.31 114.38 120.16 1th2 h ARG 353 Ca 0.01 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1th2 h ARG 353 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1th2 h ARG 353 CO 0.10 0.10 0.28 -0.07 -1.07 0.00 0.00 179.97 179.31 1th2 h LEU 354 N 0.00 0.36 0.00 3.04 3.38 -0.87 -3.24 115.31 117.99 1th2 h LEU 354 Ca -0.00 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1th2 h LEU 354 Cb 0.62 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1th2 h LEU 354 CO 0.01 0.25 -1.19 0.33 0.09 0.00 0.00 178.44 177.94 1th2 n PHE 355 N -4.48 0.72 -0.29 1.13 7.35 -0.92 -4.58 117.46 116.40 1th2 n PHE 355 Ca 0.04 0.31 0.09 0.00 -0.76 0.00 0.00 57.45 57.13 1th2 n PHE 355 Cb 0.17 -0.91 0.31 0.00 0.35 0.00 0.00 39.48 39.40 1th2 n PHE 355 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1th2 h ALA 356 N -0.80 1.68 0.72 3.13 0.00 -1.54 -2.72 119.26 119.73 1th2 h ALA 356 Ca -0.25 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1th2 h ALA 356 Cb 1.06 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1th2 h ALA 356 CO -0.15 0.11 -0.34 1.88 0.00 0.00 0.00 179.25 180.75 1th2 h TYR 357 N 0.84 -0.89 -0.51 0.00 -1.99 -1.82 -1.34 116.97 111.25 1th2 h TYR 357 Ca 0.44 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 61.15 1th2 h TYR 357 Cb 0.52 0.30 -0.03 0.00 2.00 0.00 0.00 36.73 39.52 1th2 h TYR 357 CO -0.00 -0.54 0.32 -1.35 -0.00 0.00 0.00 178.16 176.59 1th2 h PRO 358 N -1.20 0.68 0.02 4.88 0.11 -1.82 -1.51 132.00 133.16 1th2 h PRO 358 Ca -0.10 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.97 1th2 h PRO 358 Cb 0.76 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 1th2 h PRO 358 CO 0.16 0.47 -0.25 0.22 -0.21 0.00 0.00 178.00 178.40 1th2 h ASP 359 N 0.70 -0.76 -0.86 -2.05 3.58 -1.35 -1.23 116.42 114.46 1th2 h ASP 359 Ca 0.19 0.08 0.08 0.00 0.42 0.00 0.00 57.03 57.80 1th2 h ASP 359 Cb -0.04 0.28 -0.07 0.00 1.72 0.00 0.00 39.33 41.22 1th2 h ASP 359 CO -0.04 -0.25 0.52 0.74 -2.88 0.00 0.00 179.24 177.33 1th2 h THR 360 N -0.32 0.98 -0.64 2.25 2.02 -1.03 -2.22 112.91 113.94 1th2 h THR 360 Ca 0.00 -0.31 0.08 0.00 0.77 0.00 0.00 66.41 66.96 1th2 h THR 360 Cb 0.34 -0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.68 1th2 h THR 360 CO -0.16 0.16 0.30 0.45 0.37 0.00 0.00 175.52 176.65 1th2 h HIS 361 N 0.90 0.53 -0.32 3.16 3.86 -0.93 0.85 115.15 123.20 1th2 h HIS 361 Ca 0.39 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.68 1th2 h HIS 361 Cb 0.27 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 1th2 h HIS 361 CO -0.04 0.19 0.22 0.00 0.86 0.00 0.00 177.93 179.15 1th2 h ARG 362 N 0.52 0.22 0.00 2.45 3.08 -0.60 0.48 114.38 120.53 1th2 h ARG 362 Ca 0.31 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.25 1th2 h ARG 362 Cb 0.33 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1th2 h ARG 362 CO -0.26 0.15 -0.56 1.25 -1.07 0.00 0.00 179.97 179.47 1th2 h HIS 363 N 0.23 0.00 -0.41 3.04 2.76 -0.45 -0.46 115.15 119.84 1th2 h HIS 363 Ca 0.14 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1th2 h HIS 363 Cb 0.27 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 1th2 h HIS 363 CO -0.00 1.14 0.16 -0.09 -1.30 0.00 0.00 177.93 177.84 1th2 h ARG 364 N -1.00 0.62 0.00 5.26 2.43 0.65 -3.35 114.38 119.00 1th2 h ARG 364 Ca -0.15 -0.12 -0.35 0.00 -0.81 0.00 0.00 59.98 58.55 1th2 h ARG 364 Cb 1.08 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.47 1th2 h ARG 364 CO -0.09 0.59 -2.32 1.28 -1.51 0.00 0.00 179.97 177.92 1th2 n LEU 365 N -4.62 2.10 0.00 3.80 4.77 0.11 -4.53 117.00 118.63 1th2 n LEU 365 Ca 0.00 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1th2 n LEU 365 Cb 0.15 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1th2 n LEU 365 CO 0.37 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 1th2 n GLY 366 N 2.22 3.72 0.23 -0.72 0.00 -0.20 -4.82 105.19 105.62 1th2 n GLY 366 Ca -0.38 -1.78 -0.01 0.00 0.00 0.00 0.00 46.02 43.86 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 0.04 -1.32 1.61 0.11 -1.79 -2.09 132.00 128.55 1th2 h PRO 367 Ca 0.00 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.91 1th2 h PRO 367 Cb 0.00 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 31.00 1th2 h PRO 367 CO 0.00 0.03 0.26 0.09 -0.21 0.00 0.00 178.00 178.17 1th2 n ASN 368 N -5.36 4.67 0.22 -2.05 3.02 -1.26 -4.52 115.26 109.98 1th2 n ASN 368 Ca 0.07 -2.71 0.05 0.00 -0.03 0.00 0.00 54.58 51.97 1th2 n ASN 368 Cb 0.32 -0.84 0.48 0.00 -0.61 0.00 0.00 39.78 39.13 1th2 n ASN 368 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1th2 h TYR 369 N 0.83 0.00 0.00 3.10 -0.00 -1.69 -0.27 116.97 118.94 1th2 h TYR 369 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.94 1th2 h TYR 369 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.02 1th2 h TYR 369 CO 0.59 0.23 0.00 1.28 -0.00 0.00 0.00 178.16 180.26 1th2 n LEU 370 N -4.19 0.00 0.03 0.10 4.77 -1.26 -1.31 117.00 115.15 1th2 n LEU 370 Ca -0.02 0.35 0.12 0.00 -0.03 0.00 0.00 56.01 56.43 1th2 n LEU 370 Cb 0.29 -0.35 0.23 0.00 -2.33 0.00 0.00 43.42 41.27 1th2 n LEU 370 CO 0.36 -0.19 0.43 0.00 -1.33 0.00 0.00 177.39 176.66 1th2 n GLN 371 N -1.35 0.17 -2.11 3.23 6.02 -0.11 -2.78 117.38 120.44 1th2 n GLN 371 Ca 0.05 0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.67 1th2 n GLN 371 Cb 0.12 -1.61 -0.03 0.00 1.02 0.00 0.00 30.24 29.74 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 -3.10 3.24 0.10 5.09 1.01 -0.42 -4.71 121.20 122.41 1th2 s ILE 372 Ca 0.08 0.83 -0.20 0.00 0.00 0.00 0.00 60.65 61.37 1th2 s ILE 372 Cb 0.15 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 1th2 s ILE 372 CO 0.70 0.04 1.02 -2.65 0.00 0.00 0.00 174.94 174.06 1th2 n PRO 373 N 4.41 -0.29 -0.27 2.79 -0.02 -1.26 0.58 135.00 140.95 1th2 n PRO 373 Ca 0.13 1.01 0.17 0.00 -2.02 0.00 0.00 63.50 62.78 1th2 n PRO 373 Cb 0.42 -1.48 0.46 0.00 -0.02 0.00 0.00 33.50 32.88 1th2 n PRO 373 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1th2 h VAL 374 N 0.00 0.70 0.00 -1.45 2.07 -1.91 -1.95 116.25 113.72 1th2 h VAL 374 Ca 0.10 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1th2 h VAL 374 Cb 0.27 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1th2 h VAL 374 CO -0.61 0.09 -1.30 0.59 0.02 0.00 0.00 177.57 176.37 1th2 n ASN 375 N -4.56 0.58 -4.72 0.57 3.02 0.20 -4.93 115.26 105.41 1th2 n ASN 375 Ca 0.20 0.20 -0.42 0.00 -0.03 0.00 0.00 54.58 54.53 1th2 n ASN 375 Cb 0.65 0.93 -0.03 0.00 -0.61 0.00 0.00 39.78 40.71 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 3.66 2.94 0.00 0.00 -0.04 -1.26 -4.82 135.00 135.48 1th2 n PRO 377 Ca 0.12 -3.00 0.03 0.00 -0.04 0.00 0.00 63.50 60.61 1th2 n PRO 377 Cb 0.39 -3.44 0.18 0.00 -0.04 0.00 0.00 33.50 30.59 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 8.21 0.00 -1.54 0.54 4.11 -1.26 -2.19 117.16 125.02 1th2 n TYR 378 Ca 0.49 0.00 0.01 0.00 -0.00 0.00 0.00 57.90 58.41 1th2 n TYR 378 Cb 0.44 -0.09 0.20 0.00 -0.00 0.00 0.00 39.34 39.90 1th2 n TYR 378 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1th2 n ARG 379 N -1.09 1.71 -3.80 -3.48 1.74 -1.26 -4.98 116.66 105.50 1th2 n ARG 379 Ca 0.04 -3.27 -0.11 0.00 -0.77 0.00 0.00 57.85 53.74 1th2 n ARG 379 Cb 0.03 -1.71 -0.08 0.00 -1.02 0.00 0.00 32.46 29.68 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 -3.25 -0.52 -0.86 7.54 0.00 -0.93 -3.35 121.76 120.39 1th2 s ALA 380 Ca 0.41 -0.11 -0.15 0.00 0.00 0.00 0.00 51.96 52.11 1th2 s ALA 380 Cb 0.39 0.27 0.20 0.00 0.00 0.00 0.00 23.12 23.98 1th2 s ALA 380 CO -0.04 -0.36 0.86 0.50 0.00 0.00 0.00 175.76 176.71 1th2 s ARG 381 N -2.39 3.63 -0.42 0.00 6.06 -1.26 -4.95 118.95 119.62 1th2 s ARG 381 Ca -0.06 -2.35 -0.28 0.00 -2.50 0.00 0.00 55.73 50.53 1th2 s ARG 381 Cb -0.02 -4.54 -0.00 0.00 0.06 0.00 0.00 34.95 30.45 1th2 s ARG 381 CO -0.03 -1.39 1.59 0.54 -2.50 0.00 0.00 175.30 173.51 1th2 s VAL 382 N 0.62 3.69 -0.02 7.11 0.11 -1.26 -4.95 120.40 125.70 1th2 s VAL 382 Ca 0.22 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 59.94 1th2 s VAL 382 Cb -0.09 -4.01 0.02 0.00 -1.53 0.00 0.00 36.38 30.77 1th2 s VAL 382 CO -0.09 -0.70 0.01 0.00 -3.33 0.00 0.00 175.10 171.00 1th2 s ALA 383 N 6.32 0.14 0.00 1.54 0.00 -1.26 -5.06 121.76 123.44 1th2 s ALA 383 Ca 0.67 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1th2 s ALA 383 Cb -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1th2 s ALA 383 CO 0.31 -0.06 0.00 0.27 0.00 0.00 0.00 175.76 176.28 1th2 n ASN 384 N 3.86 0.00 -1.56 0.00 0.23 -1.26 -4.96 115.26 111.57 1th2 n ASN 384 Ca -0.23 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.68 1th2 n ASN 384 Cb 0.53 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.37 1th2 n ASN 384 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1th2 n TYR 385 N 0.00 1.82 -4.22 -2.53 4.01 -1.26 -4.94 117.16 110.05 1th2 n TYR 385 Ca 0.00 -1.95 -0.34 0.00 -0.16 0.00 0.00 57.90 55.45 1th2 n TYR 385 Cb 0.00 -0.62 -0.10 0.00 -0.31 0.00 0.00 39.34 38.30 1th2 n TYR 385 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1th2 s GLN 386 N -3.41 3.64 0.08 -0.72 -0.21 -1.26 -4.94 119.66 112.85 1th2 s GLN 386 Ca 0.49 -0.41 -0.00 0.00 0.02 0.00 0.00 55.36 55.46 1th2 s GLN 386 Cb 0.43 -3.02 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 1th2 s GLN 386 CO 0.01 0.37 -0.03 1.03 -2.12 0.00 0.00 175.29 174.55 1th2 s ARG 387 N 0.05 0.74 5.91 2.91 1.81 -1.26 -4.95 118.95 124.15 1th2 s ARG 387 Ca 0.03 -1.29 0.00 0.00 -1.72 0.00 0.00 55.73 52.75 1th2 s ARG 387 Cb -0.13 0.07 0.00 0.00 -0.45 0.00 0.00 34.95 34.45 1th2 s ARG 387 CO 0.02 -0.10 0.00 -0.25 -0.68 0.00 0.00 175.30 174.28 1th2 n ASP 388 N 0.02 0.00 0.00 0.23 9.92 -1.26 -5.05 116.55 120.42 1th2 n ASP 388 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.14 1th2 n ASP 388 Cb 0.61 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 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 -0.55 3.77 0.44 0.00 -1.26 -4.61 105.19 102.98 1th2 n GLY 389 Ca 0.00 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.05 2.70 -3.03 1.61 -0.04 -1.26 -2.54 135.00 132.39 1th2 n PRO 390 Ca 0.00 0.95 -0.22 0.00 -0.04 0.00 0.00 63.50 64.19 1th2 n PRO 390 Cb 0.00 -2.70 0.04 0.00 -0.04 0.00 0.00 33.50 30.80 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 0.96 -4.97 -1.60 0.54 2.81 -1.26 -4.29 117.12 109.32 1th2 n MET 391 Ca 0.03 0.90 -0.43 0.00 -1.81 0.00 0.00 57.70 56.39 1th2 n MET 391 Cb 0.38 -5.74 -0.03 0.00 -0.71 0.00 0.00 33.22 27.12 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 8.58 1.59 0.00 0.00 2.81 -1.26 -4.94 117.12 123.90 1th2 n MET 393 Ca 0.29 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1th2 n MET 393 Cb 0.43 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.94 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 -0.17 0.00 -0.17 0.03 2.81 -1.26 -3.59 117.12 114.77 1th2 n MET 394 Ca 0.00 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.00 1th2 n MET 394 Cb 0.00 0.00 0.19 0.00 -0.71 0.00 0.00 33.22 32.70 1th2 n MET 394 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1th2 n ASP 395 N -3.24 3.26 -3.67 7.83 -0.08 -1.26 -4.95 116.55 114.44 1th2 n ASP 395 Ca 0.00 -1.94 -0.24 0.00 -1.51 0.00 0.00 54.79 51.10 1th2 n ASP 395 Cb 0.00 -0.22 0.06 0.00 2.34 0.00 0.00 41.12 43.30 1th2 n ASP 395 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1th2 n ASN 396 N 1.31 -4.34 -2.11 1.67 4.05 -1.24 -1.90 115.26 112.70 1th2 n ASN 396 Ca 0.17 -0.67 -0.18 0.00 0.45 0.00 0.00 54.58 54.36 1th2 n ASN 396 Cb 0.56 -4.58 -0.03 0.00 1.23 0.00 0.00 39.78 36.96 1th2 n ASN 396 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1th2 n GLN 397 N -4.65 -1.72 0.00 1.20 6.02 -1.26 -4.81 117.38 112.16 1th2 n GLN 397 Ca -0.08 0.92 0.00 0.00 -0.01 0.00 0.00 57.00 57.83 1th2 n GLN 397 Cb 0.59 -5.46 0.00 0.00 1.02 0.00 0.00 30.24 26.39 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 -0.73 1.44 2.26 1.08 0.00 -0.80 -3.36 105.19 105.09 1th2 n GLY 398 Ca -0.20 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 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 5.07 3.81 -0.02 0.00 -1.26 -5.00 105.19 107.78 1th2 n GLY 399 Ca 0.00 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.49 2.87 0.18 4.61 0.00 -1.21 -4.97 121.76 119.74 1th2 s ALA 400 Ca 0.60 0.40 -0.32 0.00 0.00 0.00 0.00 51.96 52.64 1th2 s ALA 400 Cb 0.49 -3.21 -0.16 0.00 0.00 0.00 0.00 23.12 20.24 1th2 s ALA 400 CO 0.06 -0.50 1.13 -2.30 0.00 0.00 0.00 175.76 174.15 1th2 n PRO 401 N -1.57 1.11 -0.09 0.00 -0.02 -1.26 -4.91 135.00 128.27 1th2 n PRO 401 Ca 0.08 0.40 0.07 0.00 -2.02 0.00 0.00 63.50 62.03 1th2 n PRO 401 Cb 0.53 -1.87 0.11 0.00 -0.02 0.00 0.00 33.50 32.25 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 1.94 2.52 -4.39 2.55 2.04 -1.26 -4.93 115.26 113.73 1th2 n ASN 402 Ca 0.15 -1.74 -0.29 0.00 -0.44 0.00 0.00 54.58 52.26 1th2 n ASN 402 Cb 0.25 -0.11 -0.13 0.00 -2.53 0.00 0.00 39.78 37.25 1th2 n ASN 402 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1th2 s TYR 403 N -1.07 2.30 -0.07 -2.53 1.13 -1.26 -4.79 117.35 111.06 1th2 s TYR 403 Ca 0.21 -0.38 0.02 0.00 -1.41 0.00 0.00 57.07 55.51 1th2 s TYR 403 Cb 0.13 -1.25 0.01 0.00 -1.10 0.00 0.00 41.96 39.75 1th2 s TYR 403 CO 0.18 0.33 -0.13 -0.47 -2.51 0.00 0.00 175.55 172.94 1th2 s TYR 404 N -1.05 1.52 0.63 -3.49 5.04 -1.26 -3.72 117.35 115.03 1th2 s TYR 404 Ca 0.14 -0.57 -0.10 0.00 -2.44 0.00 0.00 57.07 54.10 1th2 s TYR 404 Cb -0.10 -1.11 -0.02 0.00 0.35 0.00 0.00 41.96 41.09 1th2 s TYR 404 CO 0.06 -0.28 1.02 -1.25 -1.34 0.00 0.00 175.55 173.75 1th2 s PRO 405 N 0.65 3.31 0.09 4.97 0.04 -1.26 -5.20 135.00 137.60 1th2 s PRO 405 Ca -0.15 0.55 -0.03 0.00 0.04 0.00 0.00 61.00 61.41 1th2 s PRO 405 Cb -0.16 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 1th2 s PRO 405 CO 0.04 -0.69 0.05 0.54 0.04 0.00 0.00 177.00 176.98 1th2 s ASN 406 N -4.24 0.34 -0.49 6.66 2.20 -1.24 -5.04 114.94 113.13 1th2 s ASN 406 Ca 0.55 -1.01 0.03 0.00 -0.94 0.00 0.00 52.86 51.49 1th2 s ASN 406 Cb -0.11 0.27 0.52 0.00 -2.00 0.00 0.00 41.25 39.93 1th2 s ASN 406 CO 0.52 -0.68 1.79 -1.20 -2.94 0.00 0.00 177.10 174.58 1th2 n SER 407 N -0.00 5.31 -1.42 3.54 7.64 -1.26 -4.55 113.62 122.87 1th2 n SER 407 Ca -0.11 -3.74 0.01 0.00 1.01 0.00 0.00 58.87 56.04 1th2 n SER 407 Cb 0.62 -0.79 0.09 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.99 0.48 -2.25 1.43 3.72 -1.26 -5.00 117.46 113.59 1th2 n PHE 408 Ca 0.54 -1.26 -0.20 0.00 -0.05 0.00 0.00 57.45 56.48 1th2 n PHE 408 Cb 1.05 -0.22 -0.02 0.00 -0.94 0.00 0.00 39.48 39.35 1th2 n PHE 408 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1th2 n SER 409 N -0.35 -5.71 -4.80 4.37 7.64 -1.26 -4.85 113.62 108.65 1th2 n SER 409 Ca 0.15 0.07 -0.29 0.00 1.01 0.00 0.00 58.87 59.81 1th2 n SER 409 Cb 0.92 -4.77 0.12 0.00 -1.01 0.00 0.00 64.21 59.47 1th2 n SER 409 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1th2 s ALA 410 N -2.96 1.99 0.07 -0.43 0.00 -1.26 -4.92 121.76 114.24 1th2 s ALA 410 Ca 0.00 -0.47 -0.37 0.00 0.00 0.00 0.00 51.96 51.12 1th2 s ALA 410 Cb 0.00 -3.04 -0.18 0.00 0.00 0.00 0.00 23.12 19.90 1th2 s ALA 410 CO 0.00 -2.08 1.10 -2.30 0.00 0.00 0.00 175.76 172.47 1th2 n PRO 411 N -3.63 0.48 -3.64 0.00 -0.02 -1.26 -5.01 135.00 121.92 1th2 n PRO 411 Ca 0.07 0.17 -0.20 0.00 -2.02 0.00 0.00 63.50 61.52 1th2 n PRO 411 Cb 0.59 -1.66 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 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 -0.04 2.77 0.18 -0.52 8.01 -1.26 -5.03 118.70 122.82 1th2 s GLU 412 Ca 0.84 -1.28 -0.10 0.00 0.01 0.00 0.00 54.97 54.43 1th2 s GLU 412 Cb -1.09 -2.55 -0.07 0.00 -4.31 0.00 0.00 34.13 26.12 1th2 s GLU 412 CO 0.53 0.01 0.52 -3.38 0.01 0.00 0.00 175.26 172.95 1th2 s HIS 413 N -2.31 3.49 -0.75 1.61 -3.43 -1.26 -5.05 115.29 107.60 1th2 s HIS 413 Ca 0.44 0.89 -0.12 0.00 -0.80 0.00 0.00 55.06 55.46 1th2 s HIS 413 Cb -0.06 -2.26 0.20 0.00 -1.43 0.00 0.00 32.58 29.03 1th2 s HIS 413 CO 0.28 0.35 0.67 -1.14 -2.00 0.00 0.00 174.74 172.90 1th2 s GLN 414 N -2.47 3.33 0.00 -0.38 0.74 -1.26 -4.92 119.66 114.70 1th2 s GLN 414 Ca 0.43 -2.35 0.00 0.00 0.05 0.00 0.00 55.36 53.49 1th2 s GLN 414 Cb -0.13 -4.29 0.00 0.00 1.10 0.00 0.00 33.01 29.69 1th2 s GLN 414 CO 0.21 -1.28 0.59 -0.35 -0.55 0.00 0.00 175.29 173.91 1th2 n PRO 415 N 4.11 0.00 0.00 1.67 -0.04 -1.26 -1.17 135.00 138.30 1th2 n PRO 415 Ca 0.08 0.16 0.14 0.00 -0.04 0.00 0.00 63.50 63.85 1th2 n PRO 415 Cb 0.45 -1.57 0.60 0.00 -0.04 0.00 0.00 33.50 32.93 1th2 n PRO 415 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1th2 n SER 416 N -1.09 0.64 -0.27 3.54 7.64 -1.26 -3.61 113.62 119.21 1th2 n SER 416 Ca 0.00 -0.78 0.02 0.00 1.01 0.00 0.00 58.87 59.13 1th2 n SER 416 Cb 0.07 -0.03 0.06 0.00 -1.01 0.00 0.00 64.21 63.30 1th2 n SER 416 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1th2 n ALA 417 N -0.77 2.11 -1.70 -0.43 0.00 -0.32 -5.00 120.51 114.40 1th2 n ALA 417 Ca 0.16 -1.02 -0.44 0.00 0.00 0.00 0.00 53.44 52.14 1th2 n ALA 417 Cb 0.28 -0.19 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 1th2 n ALA 417 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1th2 n LEU 418 N -0.03 3.55 -4.61 0.00 4.77 -1.24 -4.85 117.00 114.59 1th2 n LEU 418 Ca 0.05 1.14 -0.40 0.00 -0.03 0.00 0.00 56.01 56.77 1th2 n LEU 418 Cb 0.31 -1.49 0.02 0.00 -2.33 0.00 0.00 43.42 39.94 1th2 n LEU 418 CO 0.03 -0.25 0.57 -0.62 -1.33 0.00 0.00 177.39 175.80 1th2 n GLU 419 N 2.18 1.24 -2.14 3.23 4.71 -1.26 -4.89 120.64 123.72 1th2 n GLU 419 Ca 0.11 0.45 -0.42 0.00 -0.01 0.00 0.00 57.16 57.29 1th2 n GLU 419 Cb 0.33 -2.08 -0.03 0.00 -1.01 0.00 0.00 31.44 28.65 1th2 n GLU 419 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1th2 s HIS 420 N -1.35 2.90 -0.58 -0.32 5.65 -1.26 -4.96 115.29 115.37 1th2 s HIS 420 Ca 0.66 0.76 -0.28 0.00 0.25 0.00 0.00 55.06 56.45 1th2 s HIS 420 Cb -0.51 -3.74 0.01 0.00 -1.18 0.00 0.00 32.58 27.16 1th2 s HIS 420 CO 0.54 -2.74 1.46 0.50 -0.65 0.00 0.00 174.74 173.86 1th2 s ARG 421 N 1.99 3.22 0.36 2.88 3.52 -1.26 -5.02 118.95 124.64 1th2 s ARG 421 Ca 0.66 0.44 0.08 0.00 -0.13 0.00 0.00 55.73 56.77 1th2 s ARG 421 Cb -0.35 -4.16 -0.03 0.00 -1.56 0.00 0.00 34.95 28.85 1th2 s ARG 421 CO 0.29 -2.04 0.31 0.99 -0.81 0.00 0.00 175.30 174.04 1th2 s THR 422 N 6.38 3.18 -0.15 4.11 2.01 -1.26 -5.12 115.64 124.78 1th2 s THR 422 Ca 0.53 -1.39 0.02 0.00 0.31 0.00 0.00 61.69 61.16 1th2 s THR 422 Cb -0.11 -3.10 0.01 0.00 0.01 0.00 0.00 72.50 69.31 1th2 s THR 422 CO 0.24 -0.11 -0.20 -2.28 -0.69 0.00 0.00 174.62 171.57 1th2 s HIS 423 N -2.38 2.63 -0.09 4.92 2.46 -1.26 -5.11 115.29 116.47 1th2 s HIS 423 Ca 0.43 -1.42 0.05 0.00 0.47 0.00 0.00 55.06 54.58 1th2 s HIS 423 Cb -0.04 -1.81 -0.00 0.00 -0.13 0.00 0.00 32.58 30.59 1th2 s HIS 423 CO 0.27 -0.68 -0.24 -0.06 -2.47 0.00 0.00 174.74 171.55 1th2 s PHE 424 N 1.05 2.50 0.03 3.88 0.40 -1.26 -5.12 117.98 119.46 1th2 s PHE 424 Ca -0.02 -0.94 0.07 0.00 -0.60 0.00 0.00 56.93 55.44 1th2 s PHE 424 Cb -0.14 -1.66 -0.02 0.00 0.51 0.00 0.00 43.02 41.70 1th2 s PHE 424 CO -0.07 -0.36 -0.20 0.45 0.70 0.00 0.00 175.22 175.74 1th2 s SER 425 N 0.20 2.44 0.00 1.36 0.15 -1.26 -5.10 113.70 111.49 1th2 s SER 425 Ca -0.14 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1th2 s SER 425 Cb -0.17 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 1th2 s SER 425 CO 0.07 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1th2 n GLY 426 N 1.97 4.06 3.70 9.45 0.00 -1.26 -5.12 105.19 117.99 1th2 n GLY 426 Ca -0.17 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 1th2 n GLY 426 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1th2 s ASP 427 N 0.00 3.41 -0.30 1.61 1.11 -1.26 -5.00 116.67 116.24 1th2 s ASP 427 Ca 0.00 1.82 -0.15 0.00 0.18 0.00 0.00 52.55 54.40 1th2 s ASP 427 Cb 0.00 -2.42 -0.03 0.00 1.07 0.00 0.00 42.92 41.54 1th2 s ASP 427 CO 0.00 -2.73 0.35 0.68 1.18 0.00 0.00 175.17 174.65 1th2 s VAL 428 N -2.79 5.19 0.32 -1.27 -7.23 -1.26 -5.03 120.40 108.32 1th2 s VAL 428 Ca 0.64 0.28 -0.18 0.00 -1.81 0.00 0.00 61.98 60.92 1th2 s VAL 428 Cb -0.20 -3.74 0.03 0.00 0.56 0.00 0.00 36.38 33.04 1th2 s VAL 428 CO 0.58 0.05 0.72 -1.10 -0.31 0.00 0.00 175.10 175.04 1th2 s GLN 429 N 2.02 1.96 -0.72 4.82 -0.21 -1.26 -5.10 119.66 121.17 1th2 s GLN 429 Ca 0.13 -1.22 -0.19 0.00 0.02 0.00 0.00 55.36 54.10 1th2 s GLN 429 Cb -0.16 0.60 0.12 0.00 1.00 0.00 0.00 33.01 34.57 1th2 s GLN 429 CO 0.11 -0.90 0.86 1.03 -2.12 0.00 0.00 175.29 174.27 1th2 s ARG 430 N -3.24 3.27 -0.25 2.91 0.52 -1.26 -5.02 118.95 115.88 1th2 s ARG 430 Ca 0.14 -1.51 -0.24 0.00 -0.52 0.00 0.00 55.73 53.61 1th2 s ARG 430 Cb -0.05 -4.45 -0.01 0.00 0.52 0.00 0.00 34.95 30.96 1th2 s ARG 430 CO 0.09 -1.61 0.79 -0.06 0.02 0.00 0.00 175.30 174.54 1th2 s PHE 431 N 2.57 3.30 -0.48 -0.53 0.08 -1.26 -5.02 117.98 116.65 1th2 s PHE 431 Ca 0.19 1.07 -0.27 0.00 0.12 0.00 0.00 56.93 58.04 1th2 s PHE 431 Cb -0.16 -3.03 -0.02 0.00 -0.57 0.00 0.00 43.02 39.24 1th2 s PHE 431 CO 0.01 -0.40 1.84 1.21 -0.10 0.00 0.00 175.22 177.78 1th2 s ASN 432 N 1.38 5.54 0.00 1.36 3.84 -1.26 -4.86 114.94 120.94 1th2 s ASN 432 Ca 0.33 0.81 0.23 0.00 0.21 0.00 0.00 52.86 54.44 1th2 s ASN 432 Cb -0.15 -2.53 0.51 0.00 -0.55 0.00 0.00 41.25 38.53 1th2 s ASN 432 CO 0.08 -2.07 1.44 -1.54 -2.79 0.00 0.00 177.10 172.21 1th2 n SER 433 N 11.68 2.77 0.21 -4.21 3.41 -1.26 -4.41 113.62 121.80 1th2 n SER 433 Ca 0.22 -1.89 0.17 0.00 -0.26 0.00 0.00 58.87 57.11 1th2 n SER 433 Cb 0.50 -0.14 0.83 0.00 -0.26 0.00 0.00 64.21 65.13 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 4.43 1.81 -0.34 7.33 0.00 -1.98 -2.16 119.26 128.35 1th2 h ALA 434 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1th2 h ALA 434 Cb 0.83 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1th2 h ALA 434 CO 0.00 -0.29 0.00 0.09 0.00 0.00 0.00 179.25 179.05 1th2 n ASN 435 N -3.81 4.28 -2.67 0.00 5.03 -1.26 -4.75 115.26 112.07 1th2 n ASN 435 Ca 0.02 -3.02 -0.18 0.00 0.87 0.00 0.00 54.58 52.26 1th2 n ASN 435 Cb 0.32 -0.58 -0.07 0.00 -1.02 0.00 0.00 39.78 38.43 1th2 n ASN 435 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1th2 n ASP 436 N -0.28 4.90 -2.69 6.41 9.92 -0.81 -4.73 116.55 129.27 1th2 n ASP 436 Ca 0.23 -2.29 -0.03 0.00 -0.53 0.00 0.00 54.79 52.17 1th2 n ASP 436 Cb 0.97 -1.12 -0.03 0.00 -0.64 0.00 0.00 41.12 40.31 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 3.31 -3.46 -0.81 -2.24 -0.08 -1.26 -4.94 116.55 107.07 1th2 n ASP 437 Ca 0.43 1.27 0.07 0.00 -1.51 0.00 0.00 54.79 55.05 1th2 n ASP 437 Cb 0.41 -3.93 0.24 0.00 2.34 0.00 0.00 41.12 40.18 1th2 n ASP 437 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1th2 n ASN 438 N 2.01 3.52 0.00 1.67 3.02 -1.26 -4.72 115.26 119.50 1th2 n ASN 438 Ca -0.23 -3.12 0.00 0.00 -0.03 0.00 0.00 54.58 51.20 1th2 n ASN 438 Cb 0.36 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 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 -0.71 0.00 -0.01 2.41 0.24 -1.26 -4.43 118.33 114.57 1th2 n VAL 439 Ca 0.22 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.52 1th2 n VAL 439 Cb 0.88 -0.60 -0.00 0.00 -1.47 0.00 0.00 33.84 32.65 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 -2.35 -0.02 0.30 3.34 -1.04 -1.26 0.38 114.28 113.63 1th2 n THR 440 Ca 0.00 1.26 0.17 0.00 -2.04 0.00 0.00 64.05 63.43 1th2 n THR 440 Cb 0.28 -1.67 0.97 0.00 -1.82 0.00 0.00 70.33 68.09 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 -0.07 -2.82 4.20 -1.91 -2.02 115.11 112.49 1th2 h GLN 441 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1th2 h GLN 441 Cb 0.01 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1th2 h GLN 441 CO -0.02 0.01 -0.04 0.28 -0.67 0.00 0.00 178.83 178.39 1th2 h VAL 442 N 0.00 1.33 0.27 -0.54 2.07 -0.37 -2.79 116.25 116.21 1th2 h VAL 442 Ca -0.00 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 1th2 h VAL 442 Cb 0.02 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1th2 h VAL 442 CO 0.00 0.29 -0.13 -0.09 0.02 0.00 0.00 177.57 177.67 1th2 h ARG 443 N -0.23 -0.34 0.00 1.57 2.43 0.03 -1.00 114.38 116.83 1th2 h ARG 443 Ca 0.02 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1th2 h ARG 443 Cb 0.49 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1th2 h ARG 443 CO 0.01 -0.22 0.00 0.25 -1.51 0.00 0.00 179.97 178.50 1th2 n THR 444 N -5.24 0.67 -0.11 0.20 -2.24 -0.91 -0.44 114.28 106.22 1th2 n THR 444 Ca -0.10 0.17 -0.14 0.00 -2.27 0.00 0.00 64.05 61.71 1th2 n THR 444 Cb 0.17 -1.13 -0.14 0.00 -2.10 0.00 0.00 70.33 67.13 1th2 n THR 444 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1th2 n PHE 445 N -1.18 0.00 0.00 4.78 7.35 -0.50 -3.42 117.46 124.49 1th2 n PHE 445 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 1th2 n PHE 445 Cb 0.02 -0.98 0.00 0.00 0.35 0.00 0.00 39.48 38.87 1th2 n PHE 445 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 1th2 n TYR 446 N -2.99 0.00 -2.52 -5.13 9.36 0.42 -2.26 117.16 114.03 1th2 n TYR 446 Ca -0.39 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.40 1th2 n TYR 446 Cb 1.06 -0.30 0.00 0.00 -0.63 0.00 0.00 39.34 39.48 1th2 n TYR 446 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1th2 n LEU 447 N -1.40 6.41 0.00 2.98 -0.00 -0.62 -3.40 117.00 120.97 1th2 n LEU 447 Ca 0.00 -4.70 0.00 0.00 -0.00 0.00 0.00 56.01 51.31 1th2 n LEU 447 Cb 0.00 -1.47 0.00 0.00 -0.00 0.00 0.00 43.42 41.95 1th2 n LEU 447 CO 0.00 1.33 0.00 1.17 -0.00 0.00 0.00 177.39 179.89 1th2 n LYS 448 N 3.75 0.00 0.06 1.47 3.00 -1.26 -4.77 118.16 120.42 1th2 n LYS 448 Ca 0.37 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.46 1th2 n LYS 448 Cb 0.37 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.25 1th2 n LYS 448 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1th2 h VAL 449 N 0.00 1.03 -3.59 3.15 2.07 -1.50 -3.47 116.25 113.93 1th2 h VAL 449 Ca 0.00 -2.50 -0.50 0.00 0.82 0.00 0.00 66.70 64.52 1th2 h VAL 449 Cb 0.00 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1th2 h VAL 449 CO 0.00 0.80 0.04 -0.76 0.02 0.00 0.00 177.57 177.67 1th2 s LEU 450 N -7.44 3.98 0.01 2.57 1.43 -0.96 -5.06 118.68 113.21 1th2 s LEU 450 Ca -0.16 1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 54.01 1th2 s LEU 450 Cb 0.05 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 1th2 s LEU 450 CO 0.84 -0.27 0.14 0.54 0.23 0.00 0.00 176.35 177.83 1th2 s ASN 451 N -2.80 6.05 0.25 2.29 2.20 -1.26 -4.78 114.94 116.89 1th2 s ASN 451 Ca 0.50 0.24 0.11 0.00 -0.94 0.00 0.00 52.86 52.77 1th2 s ASN 451 Cb -0.10 -1.82 0.85 0.00 -2.00 0.00 0.00 41.25 38.17 1th2 s ASN 451 CO 0.26 0.25 1.11 1.21 -2.94 0.00 0.00 177.10 176.99 1th2 n GLU 452 N 0.91 -0.05 0.19 3.55 4.07 -1.26 0.72 120.64 128.77 1th2 n GLU 452 Ca -0.11 0.99 -0.09 0.00 -0.06 0.00 0.00 57.16 57.90 1th2 n GLU 452 Cb 0.52 -1.73 -0.04 0.00 -0.06 0.00 0.00 31.44 30.13 1th2 n GLU 452 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1th2 h GLU 453 N 0.00 -0.51 0.00 5.31 4.22 -2.01 -2.14 114.58 119.45 1th2 h GLU 453 Ca 0.56 0.03 0.00 0.00 0.08 0.00 0.00 59.36 60.03 1th2 h GLU 453 Cb 1.41 0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1th2 h GLU 453 CO -0.57 -0.34 0.00 0.00 -2.18 0.00 0.00 179.01 175.91 1th2 n GLN 454 N -3.63 0.06 -0.06 1.92 10.64 0.65 -2.49 117.38 124.47 1th2 n GLN 454 Ca -0.07 0.20 -0.14 0.00 -1.83 0.00 0.00 57.00 55.16 1th2 n GLN 454 Cb 0.22 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 28.04 1th2 n GLN 454 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1th2 h ARG 455 N 0.00 0.57 -0.52 2.61 2.43 0.74 -2.80 114.38 117.41 1th2 h ARG 455 Ca 0.00 -0.37 -0.11 0.00 -0.81 0.00 0.00 59.98 58.69 1th2 h ARG 455 Cb 0.25 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1th2 h ARG 455 CO 0.00 0.98 -0.12 -0.22 -1.51 0.00 0.00 179.97 179.10 1th2 h LYS 456 N 0.24 0.98 -0.87 0.20 3.64 -1.08 -2.78 116.57 116.90 1th2 h LYS 456 Ca 0.01 -0.36 0.10 0.00 -1.27 0.00 0.00 60.65 59.13 1th2 h LYS 456 Cb 0.96 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.64 1th2 h LYS 456 CO 0.08 1.04 0.51 -0.09 -2.27 0.00 0.00 179.45 178.71 1th2 h ARG 457 N 0.87 0.80 0.26 1.90 9.65 -1.51 -1.06 114.38 125.30 1th2 h ARG 457 Ca 0.13 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 1th2 h ARG 457 Cb 0.68 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1th2 h ARG 457 CO 0.05 0.53 -0.16 1.25 2.80 0.00 0.00 179.97 184.44 1th2 h LEU 458 N 0.83 -0.40 -1.94 3.80 5.85 -1.22 0.05 115.31 122.28 1th2 h LEU 458 Ca 0.42 0.02 0.43 0.00 0.84 0.00 0.00 57.88 59.59 1th2 h LEU 458 Cb 0.41 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 1th2 h LEU 458 CO -0.26 -0.25 1.05 0.00 -0.34 0.00 0.00 178.44 178.65 1th2 h GLU 460 N 0.02 -0.29 -0.38 0.00 5.08 -0.80 -2.36 114.58 115.86 1th2 h GLU 460 Ca 0.72 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 59.18 1th2 h GLU 460 Cb 2.79 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 32.02 1th2 h GLU 460 CO -0.05 0.04 -0.26 -0.91 -1.00 0.00 0.00 179.01 176.84 1th2 h ASN 461 N -0.95 -0.87 -0.26 1.42 -0.26 0.11 -1.23 115.58 113.54 1th2 h ASN 461 Ca -0.03 0.17 0.04 0.00 -0.56 0.00 0.00 56.30 55.92 1th2 h ASN 461 Cb 0.47 0.43 -0.04 0.00 -1.06 0.00 0.00 38.32 38.12 1th2 h ASN 461 CO 0.05 -0.28 0.03 0.40 -1.06 0.00 0.00 177.43 176.57 1th2 h ILE 462 N -0.20 0.85 -0.37 2.81 2.04 -1.25 -2.60 117.51 118.79 1th2 h ILE 462 Ca 0.18 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 1th2 h ILE 462 Cb 0.49 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1th2 h ILE 462 CO -0.49 0.02 0.23 0.00 0.00 0.00 0.00 178.15 177.90 1th2 h ALA 463 N 1.20 1.70 -0.23 1.87 0.00 -0.82 -0.73 119.26 122.24 1th2 h ALA 463 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1th2 h ALA 463 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1th2 h ALA 463 CO -0.18 0.27 0.08 0.78 0.00 0.00 0.00 179.25 180.20 1th2 h GLY 464 N 0.55 0.34 0.00 0.00 0.00 -0.84 -0.66 103.07 102.45 1th2 h GLY 464 Ca 0.14 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 1th2 h GLY 464 CO -0.03 0.14 -0.72 1.57 0.00 0.00 0.00 176.54 177.51 1th2 n HIS 465 N -4.43 0.95 -0.44 5.60 -0.00 -0.89 -4.16 115.22 111.85 1th2 n HIS 465 Ca 0.00 0.41 0.40 0.00 -0.00 0.00 0.00 57.72 58.54 1th2 n HIS 465 Cb 0.13 -0.86 0.76 0.00 -0.00 0.00 0.00 29.99 30.01 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 -1.00 0.04 -0.66 0.27 6.46 -1.17 -0.29 115.31 118.96 1th2 h LEU 466 Ca -0.10 0.01 0.14 0.00 -0.12 0.00 0.00 57.88 57.81 1th2 h LEU 466 Cb 0.73 0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 40.56 1th2 h LEU 466 CO -0.06 -0.01 0.13 0.07 -0.62 0.00 0.00 178.44 177.95 1th2 h LYS 467 N 0.03 0.24 0.00 1.25 2.10 -1.27 -0.46 116.57 118.45 1th2 h LYS 467 Ca 0.69 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.33 1th2 h LYS 467 Cb 2.70 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 33.97 1th2 h LYS 467 CO -0.05 0.16 0.00 -0.25 -2.00 0.00 0.00 179.45 177.31 1th2 n ASP 468 N -5.16 0.20 -4.88 7.07 8.00 -0.12 -4.78 116.55 116.88 1th2 n ASP 468 Ca 0.11 0.56 -0.31 0.00 0.71 0.00 0.00 54.79 55.87 1th2 n ASP 468 Cb 0.39 -0.60 0.01 0.00 -0.02 0.00 0.00 41.12 40.90 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 -3.13 3.12 1.16 2.24 0.00 -0.18 -4.70 121.76 120.27 1th2 s ALA 469 Ca 0.03 -0.16 -0.13 0.00 0.00 0.00 0.00 51.96 51.71 1th2 s ALA 469 Cb 0.06 -3.02 0.28 0.00 0.00 0.00 0.00 23.12 20.44 1th2 s ALA 469 CO 0.21 -0.69 1.02 1.04 0.00 0.00 0.00 175.76 177.33 1th2 n GLN 470 N -2.72 -2.35 0.04 0.00 6.02 -1.26 -4.72 117.38 112.40 1th2 n GLN 470 Ca 0.06 -0.65 -0.13 0.00 -0.01 0.00 0.00 57.00 56.27 1th2 n GLN 470 Cb 0.54 -2.18 -0.09 0.00 1.02 0.00 0.00 30.24 29.54 1th2 n GLN 470 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1th2 h LEU 471 N -2.64 -0.09 -2.07 1.08 3.38 -1.96 -1.47 115.31 111.54 1th2 h LEU 471 Ca -0.60 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 57.18 1th2 h LEU 471 Cb 1.33 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1th2 h LEU 471 CO 0.48 0.25 0.30 2.19 0.09 0.00 0.00 178.44 181.75 1th2 h PHE 472 N -0.44 0.00 -0.03 1.13 -0.00 -2.01 0.10 116.94 115.70 1th2 h PHE 472 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 57.97 57.89 1th2 h PHE 472 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.33 1th2 h PHE 472 CO 0.04 0.00 -0.26 0.82 -0.00 0.00 0.00 178.31 178.91 1th2 h ILE 473 N 0.00 1.49 -0.97 0.88 2.04 -1.85 -3.24 117.51 115.85 1th2 h ILE 473 Ca 0.17 -1.79 0.07 0.00 1.00 0.00 0.00 64.86 64.30 1th2 h ILE 473 Cb 0.76 2.54 -0.06 0.00 -0.74 0.00 0.00 36.82 39.32 1th2 h ILE 473 CO -0.00 0.50 0.63 1.56 0.00 0.00 0.00 178.15 180.83 1th2 h GLN 474 N -0.36 1.08 0.15 2.37 4.20 0.09 -2.53 115.11 120.12 1th2 h GLN 474 Ca -0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1th2 h GLN 474 Cb 0.95 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1th2 h GLN 474 CO 0.05 0.71 -0.07 0.87 -0.67 0.00 0.00 178.83 179.72 1th2 h LYS 475 N 1.11 -0.20 -0.94 1.46 1.57 -1.49 -2.02 116.57 116.07 1th2 h LYS 475 Ca 0.42 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.46 1th2 h LYS 475 Cb 0.19 0.05 -0.18 0.00 0.08 0.00 0.00 32.23 32.37 1th2 h LYS 475 CO -0.17 -0.13 -0.01 1.17 -0.57 0.00 0.00 179.45 179.74 1th2 n LYS 476 N -2.70 -0.08 0.15 3.15 4.81 -1.22 0.72 118.16 122.99 1th2 n LYS 476 Ca -0.03 1.42 -0.14 0.00 -0.87 0.00 0.00 58.31 58.69 1th2 n LYS 476 Cb 0.08 -2.24 -0.07 0.00 0.02 0.00 0.00 35.03 32.82 1th2 n LYS 476 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1th2 h ALA 477 N 1.88 -0.66 -0.03 3.14 0.00 -1.43 -1.87 119.26 120.30 1th2 h ALA 477 Ca 0.56 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.41 1th2 h ALA 477 Cb 1.12 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1th2 h ALA 477 CO -0.90 -0.92 -0.08 0.28 0.00 0.00 0.00 179.25 177.63 1th2 h VAL 478 N -0.63 0.80 -0.86 0.00 2.07 0.11 -2.31 116.25 115.43 1th2 h VAL 478 Ca 0.01 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.68 1th2 h VAL 478 Cb 0.63 0.80 -0.15 0.00 -1.52 0.00 0.00 31.29 31.05 1th2 h VAL 478 CO -0.17 0.00 -0.30 1.17 0.02 0.00 0.00 177.57 178.29 1th2 n LYS 479 N -5.20 -0.17 0.26 1.57 3.00 0.17 0.86 118.16 118.66 1th2 n LYS 479 Ca -0.05 1.33 -0.16 0.00 -0.00 0.00 0.00 58.31 59.42 1th2 n LYS 479 Cb 0.13 -1.98 -0.08 0.00 0.00 0.00 0.00 35.03 33.10 1th2 n LYS 479 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 1th2 h ASN 480 N 0.00 -1.03 -0.70 3.14 2.35 -0.80 -0.83 115.58 117.72 1th2 h ASN 480 Ca 0.33 0.08 0.13 0.00 -0.55 0.00 0.00 56.30 56.29 1th2 h ASN 480 Cb 0.55 0.34 -0.09 0.00 0.05 0.00 0.00 38.32 39.17 1th2 h ASN 480 CO -0.86 -0.54 0.26 -0.26 -1.65 0.00 0.00 177.43 174.37 1th2 h PHE 481 N -0.82 0.44 -0.81 1.19 0.04 -0.34 0.37 116.94 117.01 1th2 h PHE 481 Ca -0.04 0.03 0.18 0.00 2.80 0.00 0.00 57.97 60.95 1th2 h PHE 481 Cb 0.72 -0.09 -0.11 0.00 2.20 0.00 0.00 35.95 38.67 1th2 h PHE 481 CO -0.19 0.06 0.28 0.77 -0.60 0.00 0.00 178.31 178.63 1th2 h SER 482 N 0.41 0.18 0.62 2.17 0.02 0.13 0.37 113.55 117.44 1th2 h SER 482 Ca 0.38 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.45 1th2 h SER 482 Cb 0.54 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 1th2 h SER 482 CO -0.38 -0.00 -0.12 0.44 -1.14 0.00 0.00 176.83 175.63 1th2 h ASP 483 N 0.35 0.00 0.47 3.07 3.32 0.11 -1.31 116.42 122.43 1th2 h ASP 483 Ca 0.48 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.27 1th2 h ASP 483 Cb 0.84 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.40 1th2 h ASP 483 CO -0.51 0.12 -1.13 0.58 -1.72 0.00 0.00 179.24 176.58 1th2 h VAL 484 N 0.00 1.44 0.00 -1.35 2.07 0.30 -3.47 116.25 115.24 1th2 h VAL 484 Ca -0.00 -2.77 0.00 0.00 0.82 0.00 0.00 66.70 64.75 1th2 h VAL 484 Cb 0.46 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1th2 h VAL 484 CO 0.02 0.82 0.00 1.57 0.02 0.00 0.00 177.57 179.99 1th2 n HIS 485 N -3.64 0.00 -0.28 1.57 -0.00 -0.16 -4.46 115.22 108.24 1th2 n HIS 485 Ca -0.08 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.19 1th2 n HIS 485 Cb 0.95 0.00 0.24 0.00 -0.12 0.00 0.00 29.99 31.06 1th2 n HIS 485 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1th2 h PRO 486 N 0.00 0.35 0.00 1.57 0.11 -1.54 0.87 132.00 133.36 1th2 h PRO 486 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1th2 h PRO 486 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1th2 h PRO 486 CO 0.00 0.23 0.00 0.39 -0.21 0.00 0.00 178.00 178.41 1th2 n GLU 487 N -5.08 0.24 -0.10 1.05 1.02 -1.26 -1.11 120.64 115.40 1th2 n GLU 487 Ca 0.18 0.06 -0.16 0.00 -0.02 0.00 0.00 57.16 57.22 1th2 n GLU 487 Cb 0.54 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.39 1th2 n GLU 487 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1th2 n TYR 488 N -1.09 0.77 -0.10 -0.32 9.36 0.30 -3.45 117.16 122.62 1th2 n TYR 488 Ca 0.06 0.33 -0.13 0.00 3.32 0.00 0.00 57.90 61.49 1th2 n TYR 488 Cb 0.04 -0.92 -0.04 0.00 -0.63 0.00 0.00 39.34 37.79 1th2 n TYR 488 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1th2 h GLY 489 N -1.00 0.76 1.00 2.98 0.00 -1.29 -2.60 103.07 102.92 1th2 h GLY 489 Ca -0.25 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1th2 h GLY 489 CO -0.15 0.66 0.35 1.76 0.00 0.00 0.00 176.54 179.16 1th2 h SER 490 N 0.45 0.64 0.22 0.19 0.02 -1.34 0.61 113.55 114.34 1th2 h SER 490 Ca 0.06 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1th2 h SER 490 Cb 0.77 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 1th2 h SER 490 CO 0.06 0.48 -0.38 -0.09 -1.14 0.00 0.00 176.83 175.76 1th2 h ARG 491 N 0.74 -0.65 0.22 3.45 2.43 -1.57 0.11 114.38 119.10 1th2 h ARG 491 Ca 0.20 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1th2 h ARG 491 Cb -0.06 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1th2 h ARG 491 CO -0.04 -0.43 -0.20 0.82 -1.51 0.00 0.00 179.97 178.60 1th2 h ILE 492 N -0.68 0.57 -0.44 1.20 2.04 -1.13 -2.12 117.51 116.94 1th2 h ILE 492 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.94 1th2 h ILE 492 Cb 0.66 0.57 -0.09 0.00 -0.74 0.00 0.00 36.82 37.22 1th2 h ILE 492 CO -0.16 0.00 -0.45 -0.61 0.00 0.00 0.00 178.15 176.93 1th2 h GLN 493 N -0.44 -0.30 -0.53 2.37 5.75 0.51 0.34 115.11 122.80 1th2 h GLN 493 Ca -0.00 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.62 1th2 h GLN 493 Cb 0.41 0.07 -0.11 0.00 1.07 0.00 0.00 27.48 28.92 1th2 h GLN 493 CO -0.04 -0.20 -0.28 0.00 -2.65 0.00 0.00 178.83 175.66 1th2 h ALA 494 N 0.41 0.03 -0.95 3.38 0.00 -0.64 0.28 119.26 121.77 1th2 h ALA 494 Ca 0.14 0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.35 1th2 h ALA 494 Cb 0.58 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1th2 h ALA 494 CO -0.60 -0.63 0.60 1.25 0.00 0.00 0.00 179.25 179.88 1th2 h LEU 495 N -0.15 0.78 0.77 0.00 5.85 -0.07 -2.82 115.31 119.67 1th2 h LEU 495 Ca 0.23 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 1th2 h LEU 495 Cb 0.52 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.45 1th2 h LEU 495 CO -0.62 0.40 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.44 1th2 h LEU 496 N 0.83 -0.88 -1.55 2.25 3.38 0.31 -2.89 115.31 116.75 1th2 h LEU 496 Ca 0.48 0.03 0.47 0.00 0.09 0.00 0.00 57.88 58.95 1th2 h LEU 496 Cb 0.63 0.23 -0.12 0.00 0.09 0.00 0.00 40.66 41.49 1th2 h LEU 496 CO -0.24 -0.55 0.98 0.44 0.09 0.00 0.00 178.44 179.16 1th2 h ASP 497 N -1.21 0.17 -0.08 -0.43 3.32 -0.93 1.13 116.42 118.40 1th2 h ASP 497 Ca -0.11 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1th2 h ASP 497 Cb 0.80 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1th2 h ASP 497 CO 0.17 -0.16 -0.08 0.50 -1.72 0.00 0.00 179.24 177.96 1th2 h LYS 498 N 0.04 0.18 -0.13 3.56 3.11 -1.44 -2.71 116.57 119.18 1th2 h LYS 498 Ca 0.85 -0.10 -0.04 0.00 -2.81 0.00 0.00 60.65 58.55 1th2 h LYS 498 Cb 2.88 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 34.11 1th2 h LYS 498 CO -0.33 0.62 -0.11 1.88 -2.81 0.00 0.00 179.45 178.70 1th2 h TYR 499 N -0.25 0.21 0.00 1.91 0.05 0.99 -1.76 116.97 118.12 1th2 h TYR 499 Ca 0.01 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1th2 h TYR 499 Cb 0.59 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.27 1th2 h TYR 499 CO 0.09 0.32 0.00 0.09 -1.05 0.00 0.00 178.16 177.61 1th2 n ASN 500 N -4.30 0.00 0.00 3.88 3.02 0.31 -5.11 115.26 113.06 1th2 n ASN 500 Ca -0.01 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1th2 n ASN 500 Cb 0.25 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1th2 n ASN 500 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02