#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th3 n ARG 4 N 0.00 1.52 -1.73 3.52 3.00 -1.26 -5.06 116.66 116.66 1th3 n ARG 4 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.85 57.47 1th3 n ARG 4 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.53 1th3 n ARG 4 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1th3 n ASP 5 N -1.81 2.08 -0.07 0.55 5.75 -1.26 -4.82 116.55 116.96 1th3 n ASP 5 Ca 0.00 0.84 0.25 0.00 -0.01 0.00 0.00 54.79 55.87 1th3 n ASP 5 Cb 0.00 -1.55 0.64 0.00 -1.03 0.00 0.00 41.12 39.18 1th3 n ASP 5 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 1th3 h PRO 6 N 0.57 0.00 0.15 0.11 0.11 -1.97 0.15 132.00 131.12 1th3 h PRO 6 Ca -0.51 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.30 1th3 h PRO 6 Cb 1.34 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.47 1th3 h PRO 6 CO 0.53 0.00 -1.28 0.00 -0.21 0.00 0.00 178.00 177.04 1th3 h ALA 7 N 1.14 0.02 -0.79 -0.75 0.00 -1.93 -3.32 119.26 113.63 1th3 h ALA 7 Ca 0.35 -0.82 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1th3 h ALA 7 Cb 1.90 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.74 1th3 h ALA 7 CO -0.00 0.78 0.52 0.77 0.00 0.00 0.00 179.25 181.32 1th3 h SER 8 N 0.18 0.89 -0.24 0.00 0.02 -1.29 -2.45 113.55 110.66 1th3 h SER 8 Ca -0.18 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1th3 h SER 8 Cb 1.97 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.29 1th3 h SER 8 CO 0.23 0.64 0.00 0.47 -1.14 0.00 0.00 176.83 177.04 1th3 n ASP 9 N -4.42 2.66 -0.36 3.07 8.00 -1.19 -4.66 116.55 119.65 1th3 n ASP 9 Ca 0.09 -2.31 -0.06 0.00 0.71 0.00 0.00 54.79 53.22 1th3 n ASP 9 Cb 0.04 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.60 1th3 n ASP 9 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1th3 h GLN 10 N 1.61 -0.05 -0.10 -1.24 -0.00 -1.55 0.63 115.11 114.40 1th3 h GLN 10 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 1th3 h GLN 10 Cb 0.97 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.45 1th3 h GLN 10 CO 0.16 -0.03 -0.43 0.52 0.00 0.00 0.00 178.83 179.05 1th3 h MET 11 N -0.05 0.23 0.19 1.69 0.00 -1.88 -2.74 114.93 112.36 1th3 h MET 11 Ca 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 59.70 59.83 1th3 h MET 11 Cb 0.52 -0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.11 1th3 h MET 11 CO -0.90 0.62 -0.15 -0.22 0.00 0.00 0.00 176.91 176.26 1th3 h LYS 12 N 0.19 -0.33 0.00 1.72 3.64 -1.27 0.23 116.57 120.76 1th3 h LYS 12 Ca 0.02 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1th3 h LYS 12 Cb 0.84 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1th3 h LYS 12 CO 0.07 -0.22 0.00 0.45 -2.27 0.00 0.00 179.45 177.47 1th3 h HIS 13 N -0.34 0.00 0.00 1.91 3.86 -1.20 0.22 115.15 119.60 1th3 h HIS 13 Ca -0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1th3 h HIS 13 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1th3 h HIS 13 CO -0.11 0.00 -0.07 2.35 0.86 0.00 0.00 177.93 180.96 1th3 h TRP 14 N 0.00 0.06 0.04 2.45 7.01 -1.02 0.66 115.95 125.15 1th3 h TRP 14 Ca 0.00 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 60.99 1th3 h TRP 14 Cb 0.46 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.47 1th3 h TRP 14 CO 0.00 0.87 -0.27 -0.22 -2.79 0.00 0.00 178.44 176.03 1th3 h LYS 15 N -0.77 -0.42 -0.44 2.65 3.64 -0.28 -1.95 116.57 118.99 1th3 h LYS 15 Ca -0.01 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1th3 h LYS 15 Cb 0.89 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.75 1th3 h LYS 15 CO 0.01 -0.28 0.09 0.93 -2.27 0.00 0.00 179.45 177.93 1th3 h GLU 16 N -0.44 0.22 -0.91 1.90 5.08 -0.98 -2.82 114.58 116.63 1th3 h GLU 16 Ca 0.05 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.54 1th3 h GLU 16 Cb 0.51 -0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.56 1th3 h GLU 16 CO -0.21 0.15 -0.38 0.37 -1.00 0.00 0.00 179.01 177.93 1th3 h GLN 17 N 0.23 -0.04 -4.05 2.33 4.15 0.11 -2.51 115.11 115.33 1th3 h GLN 17 Ca 0.22 0.00 -0.77 0.00 0.77 0.00 0.00 58.65 58.87 1th3 h GLN 17 Cb 0.27 0.01 -0.22 0.00 0.21 0.00 0.00 27.48 27.75 1th3 h GLN 17 CO -0.28 -0.02 0.99 2.89 -1.93 0.00 0.00 178.83 180.48 1th3 n ARG 18 N -5.46 3.54 0.00 1.69 1.85 -1.06 -4.96 116.66 112.25 1th3 n ARG 18 Ca 0.09 -4.13 0.00 0.00 -1.00 0.00 0.00 57.85 52.81 1th3 n ARG 18 Cb 0.39 -2.79 0.00 0.00 -1.05 0.00 0.00 32.46 29.01 1th3 n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1th3 n ALA 19 N 4.00 0.37 0.00 2.89 0.00 -0.95 -4.12 120.51 122.69 1th3 n ALA 19 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1th3 n ALA 19 Cb 0.40 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1th3 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1th3 n ALA 20 N -0.94 0.00 -1.32 0.00 0.00 -1.26 -4.90 120.51 112.10 1th3 n ALA 20 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 52.95 1th3 n ALA 20 Cb 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.59 1th3 n ALA 20 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1th3 n GLN 21 N 0.00 0.00 -3.16 0.00 7.27 -1.26 -4.92 117.38 115.32 1th3 n GLN 21 Ca 0.00 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.69 1th3 n GLN 21 Cb 0.00 -1.15 -0.06 0.00 2.41 0.00 0.00 30.24 31.44 1th3 n GLN 21 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1th3 s LYS 22 N -0.41 4.28 0.25 3.69 3.01 -1.26 -5.02 119.74 124.28 1th3 s LYS 22 Ca 0.71 0.85 -0.30 0.00 -1.01 0.00 0.00 55.97 56.23 1th3 s LYS 22 Cb -1.01 -3.09 -0.14 0.00 -1.01 0.00 0.00 37.83 32.58 1th3 s LYS 22 CO 0.51 0.52 1.16 -2.30 0.51 0.00 0.00 175.35 175.76 1th3 n PRO 23 N 1.24 1.51 -1.11 -1.68 -0.02 -1.26 -4.95 135.00 128.72 1th3 n PRO 23 Ca -0.06 0.53 -0.30 0.00 -2.02 0.00 0.00 63.50 61.66 1th3 n PRO 23 Cb 0.50 -2.02 0.15 0.00 -0.02 0.00 0.00 33.50 32.11 1th3 n PRO 23 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1th3 s ASP 24 N -0.20 3.29 0.02 2.55 1.01 -1.26 -4.97 116.67 117.11 1th3 s ASP 24 Ca 0.64 1.57 -0.21 0.00 0.71 0.00 0.00 52.55 55.27 1th3 s ASP 24 Cb -0.72 -2.24 -0.06 0.00 1.01 0.00 0.00 42.92 40.91 1th3 s ASP 24 CO 0.56 -2.76 0.62 -0.69 0.21 0.00 0.00 175.17 173.10 1th3 s VAL 25 N -2.87 4.85 -0.04 -1.27 1.01 -1.26 -5.00 120.40 115.82 1th3 s VAL 25 Ca 0.64 1.30 -0.30 0.00 0.00 0.00 0.00 61.98 63.62 1th3 s VAL 25 Cb -0.19 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 1th3 s VAL 25 CO 0.58 0.43 1.53 -0.22 0.00 0.00 0.00 175.10 177.42 1th3 s LEU 26 N -0.33 4.31 0.35 3.92 2.96 -1.26 -4.96 118.68 123.66 1th3 s LEU 26 Ca 0.32 2.16 0.04 0.00 -0.22 0.00 0.00 54.13 56.43 1th3 s LEU 26 Cb -0.19 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 1th3 s LEU 26 CO 0.18 -0.84 0.07 0.42 -1.32 0.00 0.00 176.35 174.86 1th3 s THR 27 N 3.30 1.08 0.08 3.68 -4.23 -1.26 -0.55 115.64 117.75 1th3 s THR 27 Ca 0.68 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.18 1th3 s THR 27 Cb -0.32 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 70.84 1th3 s THR 27 CO 0.27 0.00 0.11 0.35 -0.54 0.00 0.00 174.62 174.81 1th3 n THR 28 N -0.74 0.00 0.18 3.99 -2.24 0.53 -4.87 114.28 111.12 1th3 n THR 28 Ca -0.03 -0.08 0.04 0.00 -2.27 0.00 0.00 64.05 61.70 1th3 n THR 28 Cb 0.66 -1.89 0.32 0.00 -2.10 0.00 0.00 70.33 67.32 1th3 n THR 28 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1th3 h GLY 29 N -0.18 0.00 0.95 3.38 0.00 -1.92 -2.96 103.07 102.34 1th3 h GLY 29 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1th3 h GLY 29 CO 0.02 0.00 -0.02 0.61 0.00 0.00 0.00 176.54 177.15 1th3 n GLY 30 N 0.05 -0.94 0.97 4.60 0.00 -1.26 -4.90 105.19 103.70 1th3 n GLY 30 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1th3 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th3 n GLY 31 N 1.15 0.73 3.70 -0.02 0.00 -1.12 -5.04 105.19 104.58 1th3 n GLY 31 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1th3 n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th3 s ASN 32 N -2.66 7.15 0.38 1.61 0.02 -1.26 -4.74 114.94 115.44 1th3 s ASN 32 Ca 0.00 1.79 -0.27 0.00 -1.02 0.00 0.00 52.86 53.36 1th3 s ASN 32 Cb 0.00 -2.57 -0.10 0.00 0.02 0.00 0.00 41.25 38.61 1th3 s ASN 32 CO 0.00 -0.47 1.34 -2.84 0.02 0.00 0.00 177.10 175.15 1th3 s PRO 33 N 1.67 4.09 -0.15 -0.60 0.02 -1.26 -0.35 135.00 138.42 1th3 s PRO 33 Ca 0.55 2.26 -0.12 0.00 0.02 0.00 0.00 61.00 63.71 1th3 s PRO 33 Cb -0.24 -2.88 -0.05 0.00 0.02 0.00 0.00 34.50 31.35 1th3 s PRO 33 CO 0.24 -0.43 0.26 0.08 -0.33 0.00 0.00 177.00 176.82 1th3 s VAL 34 N -1.20 5.32 -0.07 3.83 1.01 0.29 -4.86 120.40 124.73 1th3 s VAL 34 Ca 0.54 0.47 -0.05 0.00 0.00 0.00 0.00 61.98 62.94 1th3 s VAL 34 Cb -0.40 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1th3 s VAL 34 CO 0.53 0.44 0.22 1.23 0.00 0.00 0.00 175.10 177.53 1th3 h GLY 35 N 6.29 -0.20 -7.11 4.51 0.00 -1.95 -3.44 103.07 101.17 1th3 h GLY 35 Ca -0.44 0.07 -0.59 0.00 0.00 0.00 0.00 47.33 46.37 1th3 h GLY 35 CO 0.72 -0.07 -0.75 -0.35 0.00 0.00 0.00 176.54 176.09 1th3 s ASP 36 N -5.17 3.93 0.00 0.19 2.15 -1.26 -4.99 116.67 111.51 1th3 s ASP 36 Ca -0.03 -1.94 0.30 0.00 0.43 0.00 0.00 52.55 51.31 1th3 s ASP 36 Cb 0.00 -0.93 1.77 0.00 -0.30 0.00 0.00 42.92 43.46 1th3 s ASP 36 CO 0.08 -0.37 2.14 1.17 -0.17 0.00 0.00 175.17 178.02 1th3 n LYS 37 N 4.45 1.04 -0.00 4.34 0.00 -1.26 -3.73 118.16 122.99 1th3 n LYS 37 Ca 0.02 -0.05 0.07 0.00 0.00 0.00 0.00 58.31 58.34 1th3 n LYS 37 Cb 0.40 -1.47 -0.08 0.00 0.00 0.00 0.00 35.03 33.87 1th3 n LYS 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1th3 n LEU 38 N -0.91 0.55 -3.93 3.14 4.77 -1.26 -4.94 117.00 114.43 1th3 n LEU 38 Ca 0.23 -0.42 -0.27 0.00 -0.03 0.00 0.00 56.01 55.51 1th3 n LEU 38 Cb 0.12 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.04 1th3 n LEU 38 CO 0.17 0.14 -0.45 0.20 -1.33 0.00 0.00 177.39 176.12 1th3 s ASN 39 N -2.53 2.20 0.96 -1.43 0.01 -1.24 -5.12 114.94 107.78 1th3 s ASN 39 Ca 0.04 -0.32 -0.11 0.00 -0.71 0.00 0.00 52.86 51.75 1th3 s ASN 39 Cb 0.10 -0.88 0.16 0.00 0.41 0.00 0.00 41.25 41.05 1th3 s ASN 39 CO 0.58 -0.10 1.09 -0.44 -1.51 0.00 0.00 177.10 176.72 1th3 s SER 40 N 1.60 2.81 -0.64 -1.22 0.01 -1.26 -4.93 113.70 110.06 1th3 s SER 40 Ca 0.03 1.69 -0.18 0.00 1.31 0.00 0.00 55.95 58.80 1th3 s SER 40 Cb -0.13 -2.32 0.12 0.00 0.21 0.00 0.00 66.02 63.90 1th3 s SER 40 CO -0.08 -3.09 0.74 -0.22 0.41 0.00 0.00 173.24 171.01 1th3 s LEU 41 N -6.53 5.51 0.14 2.44 2.96 -1.26 -5.04 118.68 116.91 1th3 s LEU 41 Ca 0.65 -1.62 0.07 0.00 -0.22 0.00 0.00 54.13 53.02 1th3 s LEU 41 Cb -0.21 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1th3 s LEU 41 CO 0.59 -1.05 -0.05 0.42 -1.32 0.00 0.00 176.35 174.93 1th3 s THR 42 N 2.42 3.52 0.00 3.68 -4.23 -1.26 -2.09 115.64 117.68 1th3 s THR 42 Ca 0.14 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1th3 s THR 42 Cb -0.21 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.91 1th3 s THR 42 CO 0.03 -0.01 0.00 0.55 -0.54 0.00 0.00 174.62 174.65 1th3 n VAL 43 N 0.26 0.00 0.00 2.29 3.14 -0.46 -4.71 118.33 118.86 1th3 n VAL 43 Ca -0.11 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 1th3 n VAL 43 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 1th3 n VAL 43 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1th3 n GLY 44 N 0.00 2.33 0.19 7.55 0.00 -1.26 -3.17 105.19 110.83 1th3 n GLY 44 Ca 0.00 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.37 1th3 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1th3 h PRO 45 N 0.00 0.00 0.00 1.61 0.13 -2.00 -0.91 132.00 130.84 1th3 h PRO 45 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1th3 h PRO 45 Cb 0.00 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 30.86 1th3 h PRO 45 CO 0.00 0.00 -0.84 0.54 -0.23 0.00 0.00 178.00 177.47 1th3 n ARG 46 N -2.20 0.00 -3.09 0.86 1.74 -1.26 -5.11 116.66 107.60 1th3 n ARG 46 Ca -0.01 -1.66 -0.19 0.00 -0.77 0.00 0.00 57.85 55.22 1th3 n ARG 46 Cb 0.26 -0.09 0.04 0.00 -1.02 0.00 0.00 32.46 31.66 1th3 n ARG 46 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1th3 s GLY 47 N -1.66 1.83 1.21 -0.13 0.00 -0.35 -5.06 107.32 103.17 1th3 s GLY 47 Ca 0.23 -1.97 -0.15 0.00 0.00 0.00 0.00 44.72 42.83 1th3 s GLY 47 CO -0.12 -1.65 1.01 -4.14 0.00 0.00 0.00 173.10 168.21 1th3 s PRO 48 N -4.55 -1.31 -0.00 2.90 0.02 -1.26 -4.35 135.00 126.44 1th3 s PRO 48 Ca 0.58 0.60 -0.14 0.00 0.02 0.00 0.00 61.00 62.06 1th3 s PRO 48 Cb -0.07 -1.53 -0.06 0.00 0.02 0.00 0.00 34.50 32.87 1th3 s PRO 48 CO 0.36 -3.92 0.39 -1.17 -0.33 0.00 0.00 177.00 172.33 1th3 s LEU 49 N -7.29 4.46 -0.25 -5.54 0.20 -1.26 -1.35 118.68 107.65 1th3 s LEU 49 Ca 0.68 0.93 -0.11 0.00 0.69 0.00 0.00 54.13 56.32 1th3 s LEU 49 Cb -0.22 -2.58 -0.05 0.00 -0.43 0.00 0.00 46.19 42.92 1th3 s LEU 49 CO 0.63 0.32 0.20 -0.76 -0.29 0.00 0.00 176.35 176.45 1th3 s LEU 50 N -1.12 4.09 0.60 -0.68 2.01 -0.89 -4.93 118.68 117.75 1th3 s LEU 50 Ca 0.24 0.13 0.29 0.00 0.01 0.00 0.00 54.13 54.79 1th3 s LEU 50 Cb -0.16 -2.17 1.62 0.00 0.01 0.00 0.00 46.19 45.49 1th3 s LEU 50 CO 0.13 0.00 2.03 -0.37 1.01 0.00 0.00 176.35 179.16 1th3 h VAL 51 N 5.14 0.40 0.00 -1.59 -1.51 -1.98 0.58 116.25 117.28 1th3 h VAL 51 Ca -0.37 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1th3 h VAL 51 Cb 1.17 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1th3 h VAL 51 CO 0.63 0.00 0.18 -0.61 -1.23 0.00 0.00 177.57 176.54 1th3 h GLN 52 N 0.00 0.00 -5.95 5.19 4.15 -1.94 -3.37 115.11 113.19 1th3 h GLN 52 Ca 0.12 0.00 -0.60 0.00 0.77 0.00 0.00 58.65 58.93 1th3 h GLN 52 Cb 0.69 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.26 1th3 h GLN 52 CO -0.00 0.00 0.59 0.34 -1.93 0.00 0.00 178.83 177.83 1th3 s ASP 53 N -4.05 6.37 0.01 -0.69 -1.08 0.20 -4.85 116.67 112.59 1th3 s ASP 53 Ca -0.03 -0.24 0.19 0.00 -0.52 0.00 0.00 52.55 51.95 1th3 s ASP 53 Cb 0.07 -2.45 -0.18 0.00 -1.46 0.00 0.00 42.92 38.90 1th3 s ASP 53 CO 0.21 -1.21 0.64 1.33 0.52 0.00 0.00 175.17 176.66 1th3 n VAL 54 N 6.26 0.87 -0.16 1.11 0.24 -1.26 -3.63 118.33 121.76 1th3 n VAL 54 Ca 0.03 -0.66 -0.08 0.00 -2.04 0.00 0.00 64.34 61.60 1th3 n VAL 54 Cb 0.48 -0.46 0.01 0.00 -1.47 0.00 0.00 33.84 32.40 1th3 n VAL 54 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1th3 h VAL 55 N 0.00 1.14 0.23 3.34 2.07 -1.95 0.31 116.25 121.39 1th3 h VAL 55 Ca -0.17 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1th3 h VAL 55 Cb 1.49 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1th3 h VAL 55 CO 0.03 0.15 -0.11 0.15 0.02 0.00 0.00 177.57 177.80 1th3 h PHE 56 N 0.64 -0.28 -0.97 1.57 3.57 -1.98 -2.71 116.94 116.77 1th3 h PHE 56 Ca 0.17 -0.01 0.28 0.00 3.53 0.00 0.00 57.97 61.95 1th3 h PHE 56 Cb -0.02 0.09 -0.14 0.00 2.79 0.00 0.00 35.95 38.68 1th3 h PHE 56 CO -0.03 -0.18 0.49 1.15 -2.23 0.00 0.00 178.31 177.51 1th3 h THR 57 N -0.32 0.36 0.15 4.41 2.02 -1.61 0.18 112.91 118.11 1th3 h THR 57 Ca -0.03 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1th3 h THR 57 Cb 0.24 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1th3 h THR 57 CO 0.05 0.07 -0.24 -0.78 0.37 0.00 0.00 175.52 174.98 1th3 h ASP 58 N 0.36 -0.68 0.02 4.18 3.58 -0.33 -0.32 116.42 123.23 1th3 h ASP 58 Ca 0.67 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 58.19 1th3 h ASP 58 Cb 1.42 0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.72 1th3 h ASP 58 CO -0.58 -0.34 -0.01 -0.08 -2.88 0.00 0.00 179.24 175.35 1th3 h GLU 59 N -0.46 -0.02 -0.18 0.28 4.81 -0.70 -3.05 114.58 115.25 1th3 h GLU 59 Ca 0.02 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1th3 h GLU 59 Cb 0.47 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1th3 h GLU 59 CO -0.11 0.32 -0.00 1.98 -0.73 0.00 0.00 179.01 180.47 1th3 h MET 60 N -0.37 0.05 -0.69 1.92 4.05 -0.70 0.92 114.93 120.12 1th3 h MET 60 Ca -0.00 -0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.50 1th3 h MET 60 Cb 0.35 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.10 1th3 h MET 60 CO 0.00 0.04 0.46 0.00 0.23 0.00 0.00 176.91 177.64 1th3 h ALA 61 N 1.16 1.83 0.04 0.39 0.00 -1.13 0.60 119.26 122.14 1th3 h ALA 61 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1th3 h ALA 61 Cb 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1th3 h ALA 61 CO -0.15 0.04 -0.02 1.25 0.00 0.00 0.00 179.25 180.37 1th3 h HIS 62 N 0.62 -0.05 -0.79 0.00 6.17 -1.23 -3.11 115.15 116.76 1th3 h HIS 62 Ca 0.31 -0.00 0.19 0.00 0.71 0.00 0.00 60.37 61.58 1th3 h HIS 62 Cb 0.41 0.02 -0.13 0.00 2.52 0.00 0.00 27.41 30.22 1th3 h HIS 62 CO -0.00 0.58 0.09 0.35 0.71 0.00 0.00 177.93 179.66 1th3 h PHE 63 N -0.75 0.10 0.00 5.26 3.57 -0.31 0.26 116.94 125.07 1th3 h PHE 63 Ca -0.01 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1th3 h PHE 63 Cb 0.65 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1th3 h PHE 63 CO 0.15 -0.21 0.00 -0.25 -2.23 0.00 0.00 178.31 175.77 1th3 n ASP 64 N -5.29 0.00 -0.03 0.41 8.00 0.15 -2.23 116.55 117.56 1th3 n ASP 64 Ca 0.16 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1th3 n ASP 64 Cb 0.53 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 1th3 n ASP 64 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1th3 n ARG 65 N -1.07 0.79 -0.23 -1.24 1.74 0.88 -4.86 116.66 112.68 1th3 n ARG 65 Ca 0.00 -0.84 0.14 0.00 -0.77 0.00 0.00 57.85 56.39 1th3 n ARG 65 Cb 0.00 -0.65 0.45 0.00 -1.02 0.00 0.00 32.46 31.24 1th3 n ARG 65 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1th3 h GLU 66 N 0.00 0.52 -6.43 5.56 5.08 -1.24 -3.43 114.58 114.64 1th3 h GLU 66 Ca 0.00 -0.03 -0.53 0.00 -1.00 0.00 0.00 59.36 57.80 1th3 h GLU 66 Cb 0.90 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1th3 h GLU 66 CO 0.00 0.35 0.28 1.03 -1.00 0.00 0.00 179.01 179.67 1th3 s ARG 67 N -5.54 4.60 0.26 2.33 1.81 -1.26 -5.07 118.95 116.08 1th3 s ARG 67 Ca -0.09 1.29 0.11 0.00 -1.72 0.00 0.00 55.73 55.33 1th3 s ARG 67 Cb 0.22 -3.39 -0.05 0.00 -0.45 0.00 0.00 34.95 31.28 1th3 s ARG 67 CO 0.78 0.20 -0.18 0.96 -0.68 0.00 0.00 175.30 176.37 1th3 s ILE 68 N 0.15 2.59 0.32 1.52 -4.36 -1.26 -5.09 121.20 115.07 1th3 s ILE 68 Ca 0.44 -2.25 -0.29 0.00 -0.26 0.00 0.00 60.65 58.29 1th3 s ILE 68 Cb -0.22 -2.34 -0.12 0.00 1.25 0.00 0.00 42.46 41.04 1th3 s ILE 68 CO 0.27 -0.33 1.47 -2.65 0.24 0.00 0.00 174.94 173.94 1th3 n PRO 69 N -0.45 2.48 -2.27 0.37 -0.02 -1.26 -4.95 135.00 128.90 1th3 n PRO 69 Ca -0.07 0.87 -0.32 0.00 -2.02 0.00 0.00 63.50 61.97 1th3 n PRO 69 Cb 0.59 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 1th3 n PRO 69 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1th3 s GLU 70 N -1.25 3.85 0.15 -0.52 -1.05 -1.26 -4.91 118.70 113.71 1th3 s GLU 70 Ca 0.60 0.89 -0.34 0.00 -0.15 0.00 0.00 54.97 55.97 1th3 s GLU 70 Cb -0.53 -2.13 -0.16 0.00 -0.44 0.00 0.00 34.13 30.88 1th3 s GLU 70 CO 0.56 -0.34 1.22 0.54 0.95 0.00 0.00 175.26 178.18 1th3 n ARG 71 N -1.88 1.16 -0.32 -4.83 1.74 -1.26 -4.80 116.66 106.47 1th3 n ARG 71 Ca 0.06 0.42 0.24 0.00 -0.77 0.00 0.00 57.85 57.80 1th3 n ARG 71 Cb 0.54 -1.96 0.54 0.00 -1.02 0.00 0.00 32.46 30.56 1th3 n ARG 71 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1th3 h VAL 72 N 2.86 0.52 -4.02 1.55 3.04 -1.98 -3.37 116.25 114.85 1th3 h VAL 72 Ca -0.44 -0.12 -0.11 0.00 -1.01 0.00 0.00 66.70 65.02 1th3 h VAL 72 Cb 1.34 0.14 -0.14 0.00 -2.01 0.00 0.00 31.29 30.62 1th3 h VAL 72 CO 0.72 0.06 -0.48 0.68 -1.01 0.00 0.00 177.57 177.55 1th3 s VAL 73 N -5.42 0.14 -1.30 1.51 -7.23 -1.26 -4.88 120.40 101.95 1th3 s VAL 73 Ca -0.08 -1.48 -0.05 0.00 -1.81 0.00 0.00 61.98 58.56 1th3 s VAL 73 Cb 0.25 -1.58 0.01 0.00 0.56 0.00 0.00 36.38 35.62 1th3 s VAL 73 CO 0.80 -0.64 1.08 1.41 -0.31 0.00 0.00 175.10 177.44 1th3 n HIS 74 N -0.05 -2.55 -0.03 2.82 -0.00 0.93 -4.93 115.22 111.40 1th3 n HIS 74 Ca -0.12 0.98 -0.14 0.00 -0.00 0.00 0.00 57.72 58.43 1th3 n HIS 74 Cb 0.62 -4.98 -0.11 0.00 -0.00 0.00 0.00 29.99 25.52 1th3 n HIS 74 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1th3 h ALA 75 N 0.96 0.03 -1.74 -1.41 0.00 -1.72 -3.43 119.26 111.96 1th3 h ALA 75 Ca -0.58 -0.42 -0.60 0.00 0.00 0.00 0.00 54.91 53.32 1th3 h ALA 75 Cb 1.36 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 1th3 h ALA 75 CO 0.54 0.00 0.67 0.21 0.00 0.00 0.00 179.25 180.67 1th3 s LYS 76 N -3.30 3.35 0.00 0.00 2.47 -1.25 -4.76 119.74 116.26 1th3 s LYS 76 Ca -0.16 -0.18 0.00 0.00 -1.56 0.00 0.00 55.97 54.06 1th3 s LYS 76 Cb 0.01 -4.06 0.00 0.00 -1.46 0.00 0.00 37.83 32.32 1th3 s LYS 76 CO 0.72 -1.57 0.00 0.41 0.16 0.00 0.00 175.35 175.07 1th3 n GLY 77 N 5.13 3.97 3.09 5.54 0.00 -1.26 -2.76 105.19 118.89 1th3 n GLY 77 Ca 0.03 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 1th3 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th3 s ALA 78 N -1.90 -0.43 0.21 4.61 0.00 -0.81 -4.89 121.76 118.55 1th3 s ALA 78 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.29 1th3 s ALA 78 Cb 0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 1th3 s ALA 78 CO 0.00 -0.13 -0.02 0.20 0.00 0.00 0.00 175.76 175.81 1th3 s GLY 79 N -0.45 1.41 0.17 0.00 0.00 -1.26 0.48 107.32 107.66 1th3 s GLY 79 Ca -0.05 -1.69 -0.24 0.00 0.00 0.00 0.00 44.72 42.74 1th3 s GLY 79 CO 0.01 -1.63 0.76 0.00 0.00 0.00 0.00 173.10 172.24 1th3 s ALA 80 N -3.45 -1.54 0.16 3.20 0.00 -0.04 -4.45 121.76 115.64 1th3 s ALA 80 Ca 0.26 0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.58 1th3 s ALA 80 Cb 0.05 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1th3 s ALA 80 CO 0.06 -0.89 -0.20 -0.06 0.00 0.00 0.00 175.76 174.67 1th3 s PHE 81 N -3.59 1.92 0.00 0.00 0.40 -0.36 -0.44 117.98 115.91 1th3 s PHE 81 Ca 0.07 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 1th3 s PHE 81 Cb -0.03 -0.98 0.00 0.00 0.51 0.00 0.00 43.02 42.53 1th3 s PHE 81 CO -0.03 0.34 0.00 0.41 0.70 0.00 0.00 175.22 176.64 1th3 n GLY 82 N 0.47 2.67 3.16 4.36 0.00 -0.92 -1.71 105.19 113.22 1th3 n GLY 82 Ca -0.14 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 1th3 n GLY 82 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1th3 s TYR 83 N -0.25 0.18 -0.09 1.61 -0.85 0.13 -1.74 117.35 116.35 1th3 s TYR 83 Ca 0.00 -0.54 -0.01 0.00 -0.52 0.00 0.00 57.07 56.00 1th3 s TYR 83 Cb 0.00 -0.11 -0.03 0.00 0.38 0.00 0.00 41.96 42.20 1th3 s TYR 83 CO 0.00 -0.45 -0.04 0.12 -1.52 0.00 0.00 175.55 173.66 1th3 s PHE 84 N -3.22 3.03 -0.06 -3.49 5.36 0.65 -1.60 117.98 118.64 1th3 s PHE 84 Ca 0.00 0.03 0.02 0.00 -0.96 0.00 0.00 56.93 56.02 1th3 s PHE 84 Cb 0.02 -1.78 0.02 0.00 -0.34 0.00 0.00 43.02 40.94 1th3 s PHE 84 CO -0.07 0.32 -0.10 -2.00 -1.46 0.00 0.00 175.22 171.90 1th3 s GLU 85 N -0.65 1.45 0.17 10.12 2.12 -0.74 0.63 118.70 131.80 1th3 s GLU 85 Ca 0.10 -0.33 -0.30 0.00 0.36 0.00 0.00 54.97 54.80 1th3 s GLU 85 Cb -0.12 -1.24 -0.07 0.00 0.26 0.00 0.00 34.13 32.96 1th3 s GLU 85 CO 0.02 0.00 1.04 0.08 -0.54 0.00 0.00 175.26 175.86 1th3 s VAL 86 N 0.71 4.04 0.00 3.70 1.01 -0.75 -0.55 120.40 128.57 1th3 s VAL 86 Ca -0.14 1.79 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1th3 s VAL 86 Cb -0.15 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1th3 s VAL 86 CO 0.03 0.32 0.00 0.35 0.00 0.00 0.00 175.10 175.80 1th3 n THR 87 N 2.30 0.00 -3.88 3.92 -2.24 0.18 -1.15 114.28 113.42 1th3 n THR 87 Ca 0.02 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 1th3 n THR 87 Cb 0.47 0.94 -0.11 0.00 -2.10 0.00 0.00 70.33 69.52 1th3 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1th3 s HIS 88 N -0.63 0.02 -0.58 4.78 3.76 -0.24 -4.94 115.29 117.46 1th3 s HIS 88 Ca 0.00 -0.03 -0.26 0.00 -0.15 0.00 0.00 55.06 54.62 1th3 s HIS 88 Cb 0.00 -0.04 0.04 0.00 1.11 0.00 0.00 32.58 33.69 1th3 s HIS 88 CO 0.00 -0.17 1.06 0.34 -0.85 0.00 0.00 174.74 175.12 1th3 s ASP 89 N -0.78 6.36 -0.20 1.40 -1.08 -1.26 -4.79 116.67 116.32 1th3 s ASP 89 Ca -0.09 -0.22 0.15 0.00 -0.52 0.00 0.00 52.55 51.87 1th3 s ASP 89 Cb -0.05 -2.49 0.55 0.00 -1.46 0.00 0.00 42.92 39.47 1th3 s ASP 89 CO 0.00 -1.37 1.46 2.30 0.52 0.00 0.00 175.17 178.09 1th3 n ILE 90 N 6.37 2.38 0.27 4.11 -5.35 -1.26 -4.67 119.36 121.21 1th3 n ILE 90 Ca 0.04 -1.97 0.02 0.00 -0.27 0.00 0.00 62.75 60.58 1th3 n ILE 90 Cb 0.48 -0.27 0.13 0.00 -1.74 0.00 0.00 39.64 38.24 1th3 n ILE 90 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1th3 n THR 91 N -0.54 0.33 0.88 7.28 -2.24 -1.26 -1.43 114.28 117.31 1th3 n THR 91 Ca 0.24 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 62.23 1th3 n THR 91 Cb 0.95 -1.01 0.20 0.00 -2.10 0.00 0.00 70.33 68.38 1th3 n THR 91 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1th3 n ARG 92 N -1.10 0.08 -0.07 -0.78 1.85 -1.26 -4.29 116.66 111.09 1th3 n ARG 92 Ca 0.03 0.02 -0.10 0.00 -1.00 0.00 0.00 57.85 56.79 1th3 n ARG 92 Cb 0.02 -1.54 -0.06 0.00 -1.05 0.00 0.00 32.46 29.83 1th3 n ARG 92 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1th3 n TYR 93 N -1.65 0.00 -4.74 2.89 4.01 -0.51 -4.74 117.16 112.41 1th3 n TYR 93 Ca 0.05 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.55 1th3 n TYR 93 Cb 0.36 -0.55 -0.15 0.00 -0.31 0.00 0.00 39.34 38.69 1th3 n TYR 93 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1th3 s SER 94 N -5.47 1.88 0.00 7.72 0.15 -1.12 -2.26 113.70 114.59 1th3 s SER 94 Ca -0.19 -0.29 0.23 0.00 0.70 0.00 0.00 55.95 56.39 1th3 s SER 94 Cb 0.05 -0.28 0.48 0.00 -1.71 0.00 0.00 66.02 64.56 1th3 s SER 94 CO 0.32 0.18 1.43 2.29 1.20 0.00 0.00 173.24 178.67 1th3 n LYS 95 N 2.81 2.46 -1.66 5.44 2.85 0.19 -4.31 118.16 125.93 1th3 n LYS 95 Ca -0.15 -2.22 -0.43 0.00 -1.05 0.00 0.00 58.31 54.46 1th3 n LYS 95 Cb 0.54 -1.51 -0.01 0.00 -0.65 0.00 0.00 35.03 33.40 1th3 n LYS 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1th3 n ALA 96 N 1.40 0.85 0.25 0.58 0.00 -1.19 -4.85 120.51 117.55 1th3 n ALA 96 Ca 0.20 0.38 0.11 0.00 0.00 0.00 0.00 53.44 54.12 1th3 n ALA 96 Cb 0.58 -2.20 0.64 0.00 0.00 0.00 0.00 19.45 18.47 1th3 n ALA 96 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1th3 h LYS 97 N 2.70 0.00 0.00 0.00 1.57 -1.94 -2.47 116.57 116.43 1th3 h LYS 97 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1th3 h LYS 97 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1th3 h LYS 97 CO 0.64 0.17 0.00 1.55 -0.57 0.00 0.00 179.45 181.24 1th3 n VAL 98 N -3.69 1.27 0.10 0.50 3.14 -1.26 -0.88 118.33 117.51 1th3 n VAL 98 Ca -0.02 0.38 0.02 0.00 -2.96 0.00 0.00 64.34 61.77 1th3 n VAL 98 Cb 0.28 -1.27 0.02 0.00 -1.06 0.00 0.00 33.84 31.81 1th3 n VAL 98 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1th3 n PHE 99 N -1.74 0.03 -0.29 1.45 3.72 -0.94 -4.83 117.46 114.87 1th3 n PHE 99 Ca 0.02 -0.11 0.25 0.00 -0.05 0.00 0.00 57.45 57.55 1th3 n PHE 99 Cb 0.11 -0.01 0.38 0.00 -0.94 0.00 0.00 39.48 39.03 1th3 n PHE 99 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1th3 n GLU 100 N 0.11 0.00 0.00 -1.08 2.13 -0.06 -4.59 120.64 117.16 1th3 n GLU 100 Ca 0.02 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1th3 n GLU 100 Cb 0.14 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1th3 n GLU 100 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1th3 n HIS 101 N -2.82 0.00 -1.29 4.31 1.44 -1.26 -5.08 115.22 110.52 1th3 n HIS 101 Ca 0.21 0.00 -0.47 0.00 -2.01 0.00 0.00 57.72 55.44 1th3 n HIS 101 Cb 1.06 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 31.12 1th3 n HIS 101 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1th3 n ILE 102 N -0.28 0.93 0.00 0.61 2.08 -1.26 -1.21 119.36 120.23 1th3 n ILE 102 Ca 0.00 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.08 1th3 n ILE 102 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1th3 n ILE 102 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1th3 n GLY 103 N 1.57 2.32 3.59 7.39 0.00 -0.30 -4.96 105.19 114.80 1th3 n GLY 103 Ca 0.17 -0.34 -0.55 0.00 0.00 0.00 0.00 46.02 45.30 1th3 n GLY 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1th3 n LYS 104 N 0.00 0.89 -4.73 1.61 4.81 -0.35 -4.44 118.16 115.96 1th3 n LYS 104 Ca 0.00 0.32 -0.33 0.00 -0.87 0.00 0.00 58.31 57.43 1th3 n LYS 104 Cb 0.00 -1.94 -0.12 0.00 0.02 0.00 0.00 35.03 32.99 1th3 n LYS 104 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1th3 s ARG 105 N 0.87 2.55 -0.05 1.64 0.52 -1.25 -1.80 118.95 121.43 1th3 s ARG 105 Ca 0.88 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 55.44 1th3 s ARG 105 Cb -1.05 -2.44 0.01 0.00 0.52 0.00 0.00 34.95 31.99 1th3 s ARG 105 CO 0.52 0.63 -0.11 0.99 0.02 0.00 0.00 175.30 177.35 1th3 s THR 106 N -0.81 0.96 0.68 0.02 2.01 0.21 -4.89 115.64 113.81 1th3 s THR 106 Ca 0.13 -0.42 -0.17 0.00 0.31 0.00 0.00 61.69 61.55 1th3 s THR 106 Cb -0.11 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 71.54 1th3 s THR 106 CO 0.02 0.31 1.23 -2.84 -0.69 0.00 0.00 174.62 172.65 1th3 s PRO 107 N 0.45 2.42 0.08 4.92 0.02 -1.26 0.24 135.00 141.86 1th3 s PRO 107 Ca -0.09 1.86 -0.03 0.00 0.02 0.00 0.00 61.00 62.76 1th3 s PRO 107 Cb -0.13 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.51 1th3 s PRO 107 CO 0.02 -1.65 0.05 0.96 -0.33 0.00 0.00 177.00 176.06 1th3 s ILE 108 N -1.73 0.17 -0.02 2.83 -4.36 -0.71 -1.79 121.20 115.59 1th3 s ILE 108 Ca 0.77 -1.66 0.02 0.00 -0.26 0.00 0.00 60.65 59.53 1th3 s ILE 108 Cb -0.32 -1.59 0.00 0.00 1.25 0.00 0.00 42.46 41.81 1th3 s ILE 108 CO 0.41 -0.79 -0.09 0.00 0.24 0.00 0.00 174.94 174.72 1th3 s ALA 109 N -3.93 0.80 -0.01 2.27 0.00 0.44 -2.16 121.76 119.17 1th3 s ALA 109 Ca 0.10 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.77 1th3 s ALA 109 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1th3 s ALA 109 CO -0.08 0.14 -0.10 0.08 0.00 0.00 0.00 175.76 175.81 1th3 s VAL 110 N 0.11 0.76 -0.09 0.00 1.01 0.42 -0.15 120.40 122.47 1th3 s VAL 110 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1th3 s VAL 110 Cb -0.07 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1th3 s VAL 110 CO 0.00 0.20 -0.07 -0.60 0.00 0.00 0.00 175.10 174.64 1th3 s ARG 111 N -0.26 1.29 0.43 2.72 3.52 -0.85 -0.86 118.95 124.93 1th3 s ARG 111 Ca 0.03 -0.19 0.02 0.00 -0.13 0.00 0.00 55.73 55.46 1th3 s ARG 111 Cb -0.04 -1.33 -0.00 0.00 -1.56 0.00 0.00 34.95 32.02 1th3 s ARG 111 CO -0.00 -0.19 0.63 -0.06 -0.81 0.00 0.00 175.30 174.87 1th3 s PHE 112 N 1.45 3.20 -0.21 5.12 0.08 0.18 -2.32 117.98 125.47 1th3 s PHE 112 Ca -0.01 0.14 -0.36 0.00 0.12 0.00 0.00 56.93 56.82 1th3 s PHE 112 Cb -0.13 -2.25 0.15 0.00 -0.57 0.00 0.00 43.02 40.21 1th3 s PHE 112 CO -0.04 -0.29 1.30 -1.54 -0.10 0.00 0.00 175.22 174.55 1th3 s SER 113 N -4.21 -0.07 0.00 1.36 1.04 -0.65 -1.93 113.70 109.25 1th3 s SER 113 Ca 0.48 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1th3 s SER 113 Cb -0.10 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1th3 s SER 113 CO 0.36 -0.14 0.00 0.35 0.98 0.00 0.00 173.24 174.80 1th3 n THR 114 N -0.12 0.00 0.03 2.02 -2.24 -1.11 0.11 114.28 112.96 1th3 n THR 114 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1th3 n THR 114 Cb 0.58 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 1th3 n THR 114 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1th3 n VAL 115 N 0.00 0.19 -0.07 2.28 0.31 -1.26 -3.99 118.33 115.80 1th3 n VAL 115 Ca 0.00 0.06 -0.11 0.00 -0.01 0.00 0.00 64.34 64.28 1th3 n VAL 115 Cb 0.00 -1.02 -0.10 0.00 -0.91 0.00 0.00 33.84 31.82 1th3 n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1th3 h ALA 116 N 0.00 0.03 -2.87 3.52 0.00 -1.94 0.27 119.26 118.27 1th3 h ALA 116 Ca 0.00 -0.47 -0.56 0.00 0.00 0.00 0.00 54.91 53.88 1th3 h ALA 116 Cb 0.34 0.10 0.14 0.00 0.00 0.00 0.00 17.79 18.38 1th3 h ALA 116 CO 0.00 0.10 0.48 0.41 0.00 0.00 0.00 179.25 180.23 1th3 n GLY 117 N 1.63 0.49 0.02 0.00 0.00 -1.26 -4.86 105.19 101.21 1th3 n GLY 117 Ca -0.10 0.06 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 1th3 n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1th3 n GLU 118 N -0.60 -0.12 0.20 1.61 4.71 -1.26 -3.93 120.64 121.25 1th3 n GLU 118 Ca 0.09 -0.01 0.17 0.00 -0.01 0.00 0.00 57.16 57.40 1th3 n GLU 118 Cb 0.43 -0.01 0.81 0.00 -1.01 0.00 0.00 31.44 31.67 1th3 n GLU 118 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1th3 h SER 119 N -0.12 0.00 1.47 1.62 0.02 -1.95 -1.32 113.55 113.26 1th3 h SER 119 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1th3 h SER 119 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1th3 h SER 119 CO 0.00 0.00 -0.24 1.23 -1.14 0.00 0.00 176.83 176.68 1th3 h GLY 120 N 0.00 0.00 -1.89 -3.77 0.00 -1.98 -3.46 103.07 91.97 1th3 h GLY 120 Ca 0.09 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.91 1th3 h GLY 120 CO -0.00 0.00 -0.89 -1.14 0.00 0.00 0.00 176.54 174.51 1th3 n SER 121 N -2.54 -2.53 -4.85 0.19 3.41 -0.50 -5.01 113.62 101.79 1th3 n SER 121 Ca 0.04 0.18 -0.35 0.00 -0.26 0.00 0.00 58.87 58.48 1th3 n SER 121 Cb 0.48 -1.08 -0.06 0.00 -0.26 0.00 0.00 64.21 63.29 1th3 n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th3 s ALA 122 N -2.31 3.64 0.06 7.33 0.00 -1.26 -4.86 121.76 124.37 1th3 s ALA 122 Ca 0.55 -0.24 -0.18 0.00 0.00 0.00 0.00 51.96 52.09 1th3 s ALA 122 Cb -0.17 -2.41 -0.13 0.00 0.00 0.00 0.00 23.12 20.41 1th3 s ALA 122 CO 0.68 0.50 1.36 -0.44 0.00 0.00 0.00 175.76 177.86 1th3 h ASP 123 N 3.62 0.55 -1.42 0.00 3.32 -0.99 -3.39 116.42 118.12 1th3 h ASP 123 Ca -0.49 -0.50 -0.75 0.00 0.02 0.00 0.00 57.03 55.31 1th3 h ASP 123 Cb 1.19 -0.16 -0.15 0.00 0.22 0.00 0.00 39.33 40.44 1th3 h ASP 123 CO 0.66 0.94 1.99 0.35 -1.72 0.00 0.00 179.24 181.46 1th3 n THR 124 N -4.41 4.28 -4.13 0.35 -2.24 -1.26 -4.94 114.28 101.93 1th3 n THR 124 Ca -0.05 -4.37 -0.16 0.00 -2.27 0.00 0.00 64.05 57.19 1th3 n THR 124 Cb 0.43 -2.39 -0.12 0.00 -2.10 0.00 0.00 70.33 66.16 1th3 n THR 124 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1th3 s VAL 125 N 0.74 0.83 0.20 2.28 -7.23 -1.26 -4.55 120.40 111.42 1th3 s VAL 125 Ca 0.41 -1.15 -0.32 0.00 -1.81 0.00 0.00 61.98 59.10 1th3 s VAL 125 Cb 0.08 -0.84 -0.12 0.00 0.56 0.00 0.00 36.38 36.06 1th3 s VAL 125 CO 0.00 -0.27 1.72 -1.14 -0.31 0.00 0.00 175.10 175.10 1th3 n ARG 126 N 1.45 2.74 0.00 4.82 0.63 -1.26 -4.66 116.66 120.38 1th3 n ARG 126 Ca -0.21 0.99 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 1th3 n ARG 126 Cb 0.54 -2.83 0.00 0.00 0.45 0.00 0.00 32.46 30.62 1th3 n ARG 126 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1th3 n ASP 127 N 3.99 0.00 -3.49 6.15 2.03 -0.89 -5.00 116.55 119.33 1th3 n ASP 127 Ca 0.16 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.17 1th3 n ASP 127 Cb 0.34 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.03 1th3 n ASP 127 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1th3 s PRO 128 N -1.95 -2.75 -0.05 -0.67 0.02 -1.26 -4.74 135.00 123.59 1th3 s PRO 128 Ca 0.00 0.13 0.01 0.00 0.02 0.00 0.00 61.00 61.16 1th3 s PRO 128 Cb 0.00 -1.40 0.02 0.00 0.02 0.00 0.00 34.50 33.14 1th3 s PRO 128 CO 0.00 -4.76 -0.06 1.03 -0.33 0.00 0.00 177.00 172.88 1th3 s ARG 129 N -5.10 1.02 0.24 5.54 1.81 -1.26 -4.25 118.95 116.96 1th3 s ARG 129 Ca 0.69 -0.16 -0.30 0.00 -1.72 0.00 0.00 55.73 54.24 1th3 s ARG 129 Cb -0.13 -0.99 -0.09 0.00 -0.45 0.00 0.00 34.95 33.29 1th3 s ARG 129 CO 0.58 -0.08 1.01 0.20 -0.68 0.00 0.00 175.30 176.33 1th3 s GLY 130 N 0.96 3.07 -0.37 -3.53 0.00 0.31 -0.15 107.32 107.60 1th3 s GLY 130 Ca -0.10 0.73 0.02 0.00 0.00 0.00 0.00 44.72 45.37 1th3 s GLY 130 CO 0.00 1.36 0.31 -0.12 0.00 0.00 0.00 173.10 174.65 1th3 s PHE 131 N -1.01 0.33 -0.18 1.90 2.19 0.21 -1.64 117.98 119.78 1th3 s PHE 131 Ca 0.43 -1.41 -0.08 0.00 0.33 0.00 0.00 56.93 56.20 1th3 s PHE 131 Cb -0.28 -0.69 -0.04 0.00 -1.31 0.00 0.00 43.02 40.70 1th3 s PHE 131 CO 0.35 -0.89 0.08 0.00 1.83 0.00 0.00 175.22 176.59 1th3 s ALA 132 N 1.04 3.50 -0.06 11.12 0.00 -0.98 -2.10 121.76 134.27 1th3 s ALA 132 Ca 0.20 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.49 1th3 s ALA 132 Cb -0.16 -1.98 -0.01 0.00 0.00 0.00 0.00 23.12 20.97 1th3 s ALA 132 CO -0.03 0.21 -0.23 0.08 0.00 0.00 0.00 175.76 175.79 1th3 s VAL 133 N 0.27 2.29 -0.18 0.00 1.01 -0.46 -2.00 120.40 121.33 1th3 s VAL 133 Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1th3 s VAL 133 Cb -0.12 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.42 1th3 s VAL 133 CO -0.00 0.57 -0.17 -0.75 0.00 0.00 0.00 175.10 174.74 1th3 s LYS 134 N -0.25 3.08 -0.32 2.72 2.20 0.79 -0.58 119.74 127.39 1th3 s LYS 134 Ca -0.01 -0.79 -0.08 0.00 -0.36 0.00 0.00 55.97 54.73 1th3 s LYS 134 Cb -0.13 -2.62 0.01 0.00 -1.51 0.00 0.00 37.83 33.58 1th3 s LYS 134 CO 0.03 -0.15 0.12 -0.06 -0.36 0.00 0.00 175.35 174.93 1th3 s PHE 135 N 1.18 3.18 -1.32 4.03 0.40 -0.08 -0.42 117.98 124.95 1th3 s PHE 135 Ca 0.02 -0.90 -0.17 0.00 -0.60 0.00 0.00 56.93 55.27 1th3 s PHE 135 Cb -0.14 -2.31 0.07 0.00 0.51 0.00 0.00 43.02 41.14 1th3 s PHE 135 CO -0.08 -0.57 1.81 0.66 0.70 0.00 0.00 175.22 177.74 1th3 n TYR 136 N 4.92 4.50 -3.39 0.36 4.02 -0.74 -1.73 117.16 125.10 1th3 n TYR 136 Ca -0.14 -2.87 -0.33 0.00 -0.01 0.00 0.00 57.90 54.56 1th3 n TYR 136 Cb 0.48 -2.62 -0.06 0.00 -0.02 0.00 0.00 39.34 37.12 1th3 n TYR 136 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1th3 s THR 137 N 4.04 4.90 0.55 -0.72 -4.23 -1.16 -4.48 115.64 114.55 1th3 s THR 137 Ca 0.53 0.61 0.42 0.00 -1.18 0.00 0.00 61.69 62.06 1th3 s THR 137 Cb 0.05 -3.66 0.63 0.00 1.34 0.00 0.00 72.50 70.86 1th3 s THR 137 CO 0.05 0.04 1.69 -0.33 -0.54 0.00 0.00 174.62 175.54 1th3 h GLU 138 N 2.90 0.00 -1.16 3.99 5.08 -1.93 0.10 114.58 123.56 1th3 h GLU 138 Ca -0.48 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.32 1th3 h GLU 138 Cb 1.18 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.19 1th3 h GLU 138 CO 0.68 0.00 0.74 -0.25 -1.00 0.00 0.00 179.01 179.17 1th3 n ASP 139 N -4.03 7.33 0.00 1.42 8.00 -1.26 -4.38 116.55 123.62 1th3 n ASP 139 Ca 0.33 -3.56 0.00 0.00 0.71 0.00 0.00 54.79 52.27 1th3 n ASP 139 Cb 1.57 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 1th3 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1th3 n GLY 140 N -0.53 -0.72 3.77 0.44 0.00 0.35 -4.58 105.19 103.92 1th3 n GLY 140 Ca 0.53 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 1th3 n GLY 140 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th3 s ASN 141 N -2.14 7.45 -0.25 1.61 0.01 -1.26 -2.97 114.94 117.39 1th3 s ASN 141 Ca 0.00 1.81 -0.00 0.00 -0.71 0.00 0.00 52.86 53.96 1th3 s ASN 141 Cb 0.00 -2.56 0.04 0.00 0.41 0.00 0.00 41.25 39.14 1th3 s ASN 141 CO 0.00 0.09 -0.08 0.86 -1.51 0.00 0.00 177.10 176.46 1th3 s TRP 142 N -1.34 3.12 -0.37 2.20 -0.00 -0.71 -4.09 118.94 117.76 1th3 s TRP 142 Ca 0.43 -1.83 -0.12 0.00 -0.00 0.00 0.00 56.10 54.58 1th3 s TRP 142 Cb -0.22 -2.02 0.01 0.00 -0.00 0.00 0.00 33.47 31.24 1th3 s TRP 142 CO 0.27 -0.79 0.23 -0.51 -0.00 0.00 0.00 176.95 176.16 1th3 s ASP 143 N 1.25 5.90 -0.52 5.86 1.01 -0.72 -0.90 116.67 128.54 1th3 s ASP 143 Ca -0.03 -0.74 -0.15 0.00 0.71 0.00 0.00 52.55 52.33 1th3 s ASP 143 Cb -0.18 -2.09 0.12 0.00 1.01 0.00 0.00 42.92 41.78 1th3 s ASP 143 CO -0.05 -0.34 0.47 -0.22 0.21 0.00 0.00 175.17 175.24 1th3 s LEU 144 N 1.64 6.04 -1.20 1.23 2.96 0.25 -4.38 118.68 125.23 1th3 s LEU 144 Ca 0.04 -1.71 -0.11 0.00 -0.22 0.00 0.00 54.13 52.14 1th3 s LEU 144 Cb -0.18 -2.19 0.21 0.00 0.50 0.00 0.00 46.19 44.53 1th3 s LEU 144 CO 0.09 -0.80 1.50 0.52 -1.32 0.00 0.00 176.35 176.33 1th3 n VAL 145 N 5.21 4.47 -2.93 1.68 0.31 -1.26 -1.36 118.33 124.46 1th3 n VAL 145 Ca -0.13 -4.91 -0.19 0.00 -0.01 0.00 0.00 64.34 59.09 1th3 n VAL 145 Cb 0.41 -2.41 0.02 0.00 -0.91 0.00 0.00 33.84 30.94 1th3 n VAL 145 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1th3 s GLY 146 N 1.48 1.83 0.29 2.92 0.00 -0.89 -4.94 107.32 108.02 1th3 s GLY 146 Ca 0.38 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1th3 s GLY 146 CO -0.00 -1.27 0.03 0.70 0.00 0.00 0.00 173.10 172.56 1th3 n ASN 147 N -2.02 2.70 -0.75 1.64 3.02 -1.08 0.65 115.26 119.42 1th3 n ASN 147 Ca 0.07 -2.25 0.10 0.00 -0.03 0.00 0.00 54.58 52.46 1th3 n ASN 147 Cb 0.59 0.17 0.28 0.00 -0.61 0.00 0.00 39.78 40.22 1th3 n ASN 147 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1th3 n ASN 148 N -1.27 2.22 -4.16 6.41 2.04 0.79 -1.25 115.26 120.03 1th3 n ASN 148 Ca -0.11 -1.86 -0.22 0.00 -0.44 0.00 0.00 54.58 51.95 1th3 n ASN 148 Cb 0.37 -0.20 -0.14 0.00 -2.53 0.00 0.00 39.78 37.28 1th3 n ASN 148 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1th3 s THR 149 N -1.61 1.28 -2.18 5.53 -1.32 -1.26 -4.70 115.64 111.37 1th3 s THR 149 Ca 0.32 -0.92 0.26 0.00 -1.21 0.00 0.00 61.69 60.14 1th3 s THR 149 Cb 0.18 -1.11 0.65 0.00 -1.51 0.00 0.00 72.50 70.70 1th3 s THR 149 CO 0.25 0.17 1.86 -0.81 -2.21 0.00 0.00 174.62 173.89 1th3 n PRO 150 N 2.18 1.31 -3.59 7.08 -0.04 -1.26 -4.70 135.00 135.97 1th3 n PRO 150 Ca -0.16 -0.46 -0.16 0.00 -0.04 0.00 0.00 63.50 62.68 1th3 n PRO 150 Cb 0.54 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.52 1th3 n PRO 150 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1th3 n ILE 151 N -0.40 0.00 -3.83 0.52 -5.35 -1.26 -4.52 119.36 104.51 1th3 n ILE 151 Ca 0.19 -1.62 -0.09 0.00 -0.27 0.00 0.00 62.75 60.96 1th3 n ILE 151 Cb 0.20 0.65 -0.06 0.00 -1.74 0.00 0.00 39.64 38.69 1th3 n ILE 151 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1th3 s PHE 152 N -2.68 0.13 0.13 4.28 5.36 -0.97 -5.00 117.98 119.22 1th3 s PHE 152 Ca 0.18 -0.51 -0.18 0.00 -0.96 0.00 0.00 56.93 55.46 1th3 s PHE 152 Cb 0.01 0.04 -0.03 0.00 -0.34 0.00 0.00 43.02 42.70 1th3 s PHE 152 CO 0.13 -0.66 1.73 0.74 -1.46 0.00 0.00 175.22 175.70 1th3 h PHE 153 N 2.57 0.42 -1.10 10.12 0.04 -1.89 -3.39 116.94 123.71 1th3 h PHE 153 Ca -0.33 -0.01 -0.54 0.00 2.80 0.00 0.00 57.97 59.89 1th3 h PHE 153 Cb 1.22 -0.13 -0.04 0.00 2.20 0.00 0.00 35.95 39.20 1th3 h PHE 153 CO 0.39 0.34 -0.34 0.96 -0.60 0.00 0.00 178.31 179.06 1th3 s ILE 154 N -5.87 2.18 0.00 -0.55 -4.36 -1.26 -2.23 121.20 109.11 1th3 s ILE 154 Ca -0.13 -1.42 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 1th3 s ILE 154 Cb 0.09 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1th3 s ILE 154 CO 0.72 0.00 0.07 -2.11 0.24 0.00 0.00 174.94 173.86 1th3 n ARG 155 N -1.64 2.22 -4.41 0.37 1.85 -1.26 -4.56 116.66 109.22 1th3 n ARG 155 Ca 0.02 -0.07 -0.30 0.00 -1.00 0.00 0.00 57.85 56.49 1th3 n ARG 155 Cb 0.63 -0.39 -0.17 0.00 -1.05 0.00 0.00 32.46 31.48 1th3 n ARG 155 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1th3 s ASP 156 N -0.34 2.70 0.48 2.89 -1.08 -1.26 -3.68 116.67 116.38 1th3 s ASP 156 Ca 0.00 -0.50 0.31 0.00 -0.52 0.00 0.00 52.55 51.84 1th3 s ASP 156 Cb 0.00 -1.22 1.40 0.00 -1.46 0.00 0.00 42.92 41.64 1th3 s ASP 156 CO 0.00 0.02 1.76 0.00 0.52 0.00 0.00 175.17 177.46 1th3 h ALA 157 N 7.55 2.83 -0.00 3.66 0.00 -1.88 -1.53 119.26 129.89 1th3 h ALA 157 Ca -0.34 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1th3 h ALA 157 Cb 1.17 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1th3 h ALA 157 CO 0.52 -1.25 0.01 -0.07 0.00 0.00 0.00 179.25 178.47 1th3 h LEU 158 N 0.14 0.00 0.00 0.00 3.38 -1.96 -1.14 115.31 115.74 1th3 h LEU 158 Ca 0.63 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.60 1th3 h LEU 158 Cb 2.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.91 1th3 h LEU 158 CO -0.15 0.00 -0.79 -0.07 0.09 0.00 0.00 178.44 177.52 1th3 h LEU 159 N 0.00 0.00 0.21 1.67 3.38 -1.72 -3.40 115.31 115.45 1th3 h LEU 159 Ca 0.00 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1th3 h LEU 159 Cb 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1th3 h LEU 159 CO -0.00 0.08 -0.23 0.15 0.09 0.00 0.00 178.44 178.53 1th3 h PHE 160 N 0.00 -0.60 -0.62 1.13 3.57 -1.32 0.74 116.94 119.84 1th3 h PHE 160 Ca 0.00 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.59 1th3 h PHE 160 Cb 0.83 0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.74 1th3 h PHE 160 CO 0.00 -0.33 0.27 -1.35 -2.23 0.00 0.00 178.31 174.67 1th3 h PRO 161 N -0.47 0.48 0.33 6.41 0.11 -1.77 -0.07 132.00 137.01 1th3 h PRO 161 Ca 0.00 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1th3 h PRO 161 Cb 0.45 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1th3 h PRO 161 CO -0.07 0.32 -0.24 0.77 -0.21 0.00 0.00 178.00 178.57 1th3 h SER 162 N 0.49 -0.63 -0.14 -2.05 0.02 -1.67 -0.39 113.55 109.18 1th3 h SER 162 Ca 0.30 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.33 1th3 h SER 162 Cb 0.32 0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 1th3 h SER 162 CO -0.26 -0.37 -0.45 0.15 -1.14 0.00 0.00 176.83 174.75 1th3 h PHE 163 N -0.57 -1.34 -1.00 3.45 3.57 0.12 -0.44 116.94 120.72 1th3 h PHE 163 Ca -0.03 0.05 0.21 0.00 3.53 0.00 0.00 57.97 61.74 1th3 h PHE 163 Cb 0.49 0.60 -0.10 0.00 2.79 0.00 0.00 35.95 39.74 1th3 h PHE 163 CO -0.13 -0.45 0.62 0.82 -2.23 0.00 0.00 178.31 176.95 1th3 h ILE 164 N -0.46 0.66 0.26 1.41 1.08 -0.97 -0.55 117.51 118.93 1th3 h ILE 164 Ca 0.03 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1th3 h ILE 164 Cb 0.55 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 1th3 h ILE 164 CO -0.37 0.12 -0.12 0.45 -0.69 0.00 0.00 178.15 177.53 1th3 h HIS 165 N 0.65 -0.32 -0.01 1.37 3.86 0.48 -1.87 115.15 119.30 1th3 h HIS 165 Ca 0.58 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.78 1th3 h HIS 165 Cb 1.06 0.11 -0.00 0.00 1.06 0.00 0.00 27.41 29.63 1th3 h HIS 165 CO -0.00 -0.20 0.02 0.66 0.86 0.00 0.00 177.93 179.27 1th3 h SER 166 N -0.35 0.00 0.71 2.45 4.64 0.19 0.18 113.55 121.37 1th3 h SER 166 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1th3 h SER 166 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1th3 h SER 166 CO 0.06 0.00 -0.25 0.00 -0.87 0.00 0.00 176.83 175.76 1th3 n GLN 167 N -3.35 0.04 0.00 4.77 1.13 -0.62 -3.17 117.38 116.19 1th3 n GLN 167 Ca -0.03 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 1th3 n GLN 167 Cb 0.10 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.95 1th3 n GLN 167 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1th3 n LYS 168 N -1.47 2.69 -3.08 -1.09 5.02 0.05 -4.90 118.16 115.39 1th3 n LYS 168 Ca 0.07 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.12 1th3 n LYS 168 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.35 1th3 n LYS 168 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1th3 s ARG 169 N 4.90 3.25 0.06 1.97 0.52 -1.26 -4.12 118.95 124.26 1th3 s ARG 169 Ca 0.00 -0.37 -0.30 0.00 -0.52 0.00 0.00 55.73 54.53 1th3 s ARG 169 Cb 0.00 -2.57 -0.05 0.00 0.52 0.00 0.00 34.95 32.84 1th3 s ARG 169 CO 0.00 -0.13 1.09 1.21 0.02 0.00 0.00 175.30 177.49 1th3 s ASN 170 N -4.15 7.24 0.53 0.23 3.84 0.21 -4.81 114.94 118.03 1th3 s ASN 170 Ca 0.45 1.89 0.33 0.00 0.21 0.00 0.00 52.86 55.74 1th3 s ASN 170 Cb -0.10 -2.58 1.48 0.00 -0.55 0.00 0.00 41.25 39.50 1th3 s ASN 170 CO 0.38 -0.33 1.85 1.55 -2.79 0.00 0.00 177.10 177.76 1th3 h PRO 171 N 6.42 0.03 0.00 0.43 0.13 -1.97 0.53 132.00 137.58 1th3 h PRO 171 Ca -0.42 -0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.37 1th3 h PRO 171 Cb 1.22 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1th3 h PRO 171 CO 0.77 0.02 -2.11 0.94 -0.23 0.00 0.00 178.00 177.39 1th3 n GLN 172 N -4.26 0.56 0.15 0.86 7.27 -1.26 -4.64 117.38 116.06 1th3 n GLN 172 Ca 0.22 0.24 0.05 0.00 0.07 0.00 0.00 57.00 57.58 1th3 n GLN 172 Cb 1.06 -1.45 0.05 0.00 2.41 0.00 0.00 30.24 32.30 1th3 n GLN 172 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1th3 h THR 173 N -0.98 0.56 -2.22 1.69 1.35 -1.96 -3.47 112.91 107.88 1th3 h THR 173 Ca -0.51 -1.82 -0.24 0.00 -0.55 0.00 0.00 66.41 63.29 1th3 h THR 173 Cb 1.44 2.23 0.01 0.00 -1.73 0.00 0.00 68.15 70.09 1th3 h THR 173 CO -0.31 0.32 -0.33 1.57 -0.25 0.00 0.00 175.52 176.52 1th3 n HIS 174 N -3.13 -0.84 -4.49 4.73 -0.00 0.18 -4.91 115.22 106.77 1th3 n HIS 174 Ca 0.01 0.14 -0.24 0.00 0.46 0.00 0.00 57.72 58.09 1th3 n HIS 174 Cb 0.68 -2.86 -0.10 0.00 -0.12 0.00 0.00 29.99 27.59 1th3 n HIS 174 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1th3 s LEU 175 N -3.74 2.63 0.16 0.27 1.43 -1.26 -4.61 118.68 113.56 1th3 s LEU 175 Ca 0.08 -1.08 -0.30 0.00 -1.03 0.00 0.00 54.13 51.80 1th3 s LEU 175 Cb -0.04 -1.06 -0.08 0.00 0.03 0.00 0.00 46.19 45.04 1th3 s LEU 175 CO 0.10 -0.04 1.30 -0.54 0.23 0.00 0.00 176.35 177.41 1th3 s LYS 176 N -3.54 4.39 -0.37 1.70 -0.14 -1.26 0.67 119.74 121.19 1th3 s LYS 176 Ca 0.31 2.00 -0.04 0.00 -1.36 0.00 0.00 55.97 56.87 1th3 s LYS 176 Cb -0.03 -3.23 0.08 0.00 -1.68 0.00 0.00 37.83 32.97 1th3 s LYS 176 CO 0.15 -0.27 0.14 0.34 -0.76 0.00 0.00 175.35 174.95 1th3 s ASP 177 N 0.58 5.22 0.49 2.83 -1.08 -1.26 -4.90 116.67 118.55 1th3 s ASP 177 Ca 0.58 -1.60 0.13 0.00 -0.52 0.00 0.00 52.55 51.14 1th3 s ASP 177 Cb -0.35 -1.83 1.15 0.00 -1.46 0.00 0.00 42.92 40.43 1th3 s ASP 177 CO 0.35 -0.43 2.12 -0.65 0.52 0.00 0.00 175.17 177.08 1th3 h PRO 178 N 8.12 0.16 -0.08 4.34 0.11 -1.93 0.09 132.00 142.81 1th3 h PRO 178 Ca -0.18 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.91 1th3 h PRO 178 Cb 1.06 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1th3 h PRO 178 CO 0.65 0.11 0.03 -0.44 -0.21 0.00 0.00 178.00 178.13 1th3 h ASP 179 N 0.17 0.12 0.00 -2.05 3.32 -1.93 -1.06 116.42 114.99 1th3 h ASP 179 Ca 0.05 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 56.95 1th3 h ASP 179 Cb -0.00 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 1th3 h ASP 179 CO -0.01 0.27 -0.30 0.24 -1.72 0.00 0.00 179.24 177.71 1th3 h MET 180 N -0.04 -0.44 0.02 3.56 2.86 -1.39 0.79 114.93 120.29 1th3 h MET 180 Ca 0.03 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1th3 h MET 180 Cb 0.19 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 1th3 h MET 180 CO -0.00 -0.29 -0.20 0.28 1.06 0.00 0.00 176.91 177.75 1th3 h VAL 181 N -0.45 0.52 0.00 -2.22 2.07 -0.93 -2.61 116.25 112.63 1th3 h VAL 181 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1th3 h VAL 181 Cb 0.54 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1th3 h VAL 181 CO -0.25 0.00 -0.43 -0.50 0.02 0.00 0.00 177.57 176.41 1th3 h TRP 182 N -0.34 0.00 -0.21 1.57 4.06 -1.06 -2.59 115.95 117.38 1th3 h TRP 182 Ca 0.05 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.85 1th3 h TRP 182 Cb 0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.56 1th3 h TRP 182 CO -0.24 0.00 -0.50 0.22 -3.56 0.00 0.00 178.44 174.35 1th3 h ASP 183 N 0.00 0.64 0.06 -3.49 3.58 0.70 -0.39 116.42 117.51 1th3 h ASP 183 Ca 0.00 -0.32 -0.00 0.00 0.42 0.00 0.00 57.03 57.12 1th3 h ASP 183 Cb 0.86 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1th3 h ASP 183 CO 0.00 1.03 -0.03 0.15 -2.88 0.00 0.00 179.24 177.51 1th3 h PHE 184 N 0.46 -0.08 -0.88 0.28 3.57 -1.48 -3.00 116.94 115.81 1th3 h PHE 184 Ca 0.02 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1th3 h PHE 184 Cb 1.04 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.76 1th3 h PHE 184 CO 0.04 0.52 0.58 -1.49 -2.23 0.00 0.00 178.31 175.73 1th3 h TRP 185 N -0.81 1.09 -0.78 0.41 6.55 -1.50 -2.23 115.95 118.68 1th3 h TRP 185 Ca -0.01 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.86 1th3 h TRP 185 Cb 0.63 -0.37 -0.04 0.00 -0.86 0.00 0.00 29.16 28.52 1th3 h TRP 185 CO 0.14 0.66 0.50 0.66 -1.05 0.00 0.00 178.44 179.35 1th3 h SER 186 N 1.15 0.91 1.58 -3.49 4.64 -1.13 -2.55 113.55 114.67 1th3 h SER 186 Ca 0.34 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1th3 h SER 186 Cb -0.06 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.80 1th3 h SER 186 CO -0.09 0.68 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.46 1th3 h LEU 187 N 1.06 0.00 -6.91 5.97 3.38 -1.31 -3.38 115.31 114.12 1th3 h LEU 187 Ca 0.28 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.64 1th3 h LEU 187 Cb -0.09 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.24 1th3 h LEU 187 CO -0.06 0.02 -0.61 0.54 0.09 0.00 0.00 178.44 178.43 1th3 n ARG 188 N -3.11 1.81 0.19 1.13 5.12 -0.87 -4.95 116.66 115.98 1th3 n ARG 188 Ca 0.03 -4.42 0.09 0.00 -1.93 0.00 0.00 57.85 51.62 1th3 n ARG 188 Cb 0.45 -2.23 0.49 0.00 -1.16 0.00 0.00 32.46 30.00 1th3 n ARG 188 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1th3 h PRO 189 N 5.23 0.00 0.00 5.56 0.11 -1.75 -1.81 132.00 139.35 1th3 h PRO 189 Ca 0.16 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 1th3 h PRO 189 Cb 0.75 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1th3 h PRO 189 CO 0.71 0.00 -0.00 1.05 -0.21 0.00 0.00 178.00 179.54 1th3 h GLU 190 N 0.00 0.00 0.00 1.05 9.09 -1.85 -2.14 114.58 120.72 1th3 h GLU 190 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.33 1th3 h GLU 190 Cb 0.46 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.55 1th3 h GLU 190 CO 0.00 0.00 -0.36 0.66 0.05 0.00 0.00 179.01 179.36 1th3 h SER 191 N 0.00 0.00 -0.77 3.06 4.64 -0.85 -3.34 113.55 116.30 1th3 h SER 191 Ca -0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 1th3 h SER 191 Cb 0.09 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.04 1th3 h SER 191 CO 0.00 0.36 -0.25 0.18 -0.87 0.00 0.00 176.83 176.26 1th3 n LEU 192 N -3.57 -0.39 -0.02 5.97 4.77 -0.81 -0.45 117.00 122.50 1th3 n LEU 192 Ca -0.00 1.33 -0.10 0.00 -0.03 0.00 0.00 56.01 57.21 1th3 n LEU 192 Cb 0.49 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1th3 n LEU 192 CO 0.37 -1.23 0.67 -0.74 -1.33 0.00 0.00 177.39 175.12 1th3 h HIS 193 N 0.00 -0.79 -0.46 -1.77 2.76 -1.82 0.63 115.15 113.71 1th3 h HIS 193 Ca 0.31 0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 58.38 1th3 h HIS 193 Cb 0.50 0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.83 1th3 h HIS 193 CO -0.63 -0.37 -0.25 1.96 -1.30 0.00 0.00 177.93 177.34 1th3 h GLN 194 N -0.34 0.99 -1.00 5.26 1.08 -1.01 -2.09 115.11 118.00 1th3 h GLN 194 Ca 0.11 -0.45 0.06 0.00 -1.45 0.00 0.00 58.65 56.92 1th3 h GLN 194 Cb 0.51 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.85 1th3 h GLN 194 CO -0.36 1.12 0.65 0.28 -0.95 0.00 0.00 178.83 179.57 1th3 h VAL 195 N 0.84 1.12 -0.29 -0.54 2.07 -0.34 1.05 116.25 120.16 1th3 h VAL 195 Ca 0.10 -0.41 -0.16 0.00 0.82 0.00 0.00 66.70 67.05 1th3 h VAL 195 Cb 0.84 -0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1th3 h VAL 195 CO 0.07 0.22 -0.43 0.28 0.02 0.00 0.00 177.57 177.74 1th3 h SER 196 N 1.21 0.87 -0.06 0.57 0.02 -0.76 -1.01 113.55 114.39 1th3 h SER 196 Ca 0.42 -0.51 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1th3 h SER 196 Cb 0.11 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 1th3 h SER 196 CO -0.16 1.21 -0.02 0.15 -1.14 0.00 0.00 176.83 176.88 1th3 h PHE 197 N 0.55 0.14 -0.70 3.45 3.04 -0.67 -2.95 116.94 119.80 1th3 h PHE 197 Ca 0.03 -0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.04 1th3 h PHE 197 Cb 1.03 -0.03 -0.07 0.00 2.56 0.00 0.00 35.95 39.43 1th3 h PHE 197 CO 0.08 0.48 0.33 1.25 -2.02 0.00 0.00 178.31 178.42 1th3 h LEU 198 N -0.24 0.41 -0.70 0.59 5.85 0.12 -1.04 115.31 120.31 1th3 h LEU 198 Ca 0.01 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1th3 h LEU 198 Cb 0.44 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1th3 h LEU 198 CO 0.01 0.23 0.00 0.49 -0.34 0.00 0.00 178.44 178.83 1th3 n PHE 199 N -4.89 0.25 -2.61 1.25 3.01 -0.39 -3.29 117.46 110.79 1th3 n PHE 199 Ca 0.11 -0.12 -0.23 0.00 1.01 0.00 0.00 57.45 58.22 1th3 n PHE 199 Cb 0.28 -0.01 0.08 0.00 -0.01 0.00 0.00 39.48 39.82 1th3 n PHE 199 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1th3 s SER 200 N -0.97 4.72 0.65 4.37 1.04 -0.39 -4.33 113.70 118.79 1th3 s SER 200 Ca 0.12 -0.24 0.26 0.00 0.48 0.00 0.00 55.95 56.57 1th3 s SER 200 Cb 0.06 -0.33 1.39 0.00 0.10 0.00 0.00 66.02 67.24 1th3 s SER 200 CO 0.08 -1.58 1.79 0.44 0.98 0.00 0.00 173.24 174.95 1th3 h ASP 201 N -0.29 0.00 0.80 7.02 3.32 -1.88 0.91 116.42 126.30 1th3 h ASP 201 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1th3 h ASP 201 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1th3 h ASP 201 CO 0.45 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.51 1th3 n ARG 202 N -3.03 0.01 0.18 3.56 5.12 -1.26 -3.71 116.66 117.52 1th3 n ARG 202 Ca 0.01 0.10 0.03 0.00 -1.93 0.00 0.00 57.85 56.06 1th3 n ARG 202 Cb 0.55 -1.50 0.42 0.00 -1.16 0.00 0.00 32.46 30.77 1th3 n ARG 202 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1th3 h GLY 203 N 4.01 0.08 -6.94 -0.13 0.00 -0.80 -3.35 103.07 95.94 1th3 h GLY 203 Ca 0.00 -0.05 -0.61 0.00 0.00 0.00 0.00 47.33 46.66 1th3 h GLY 203 CO 0.00 0.05 -0.70 -0.42 0.00 0.00 0.00 176.54 175.47 1th3 s ILE 204 N -4.53 1.97 0.97 2.60 1.01 -1.24 -2.10 121.20 119.88 1th3 s ILE 204 Ca -0.04 -3.43 -0.11 0.00 0.00 0.00 0.00 60.65 57.07 1th3 s ILE 204 Cb 0.15 -2.33 0.17 0.00 0.01 0.00 0.00 42.46 40.46 1th3 s ILE 204 CO 0.72 -1.01 1.10 -2.16 0.00 0.00 0.00 174.94 173.59 1th3 s PRO 205 N -0.59 0.64 -0.86 2.79 0.04 -1.26 -0.68 135.00 135.08 1th3 s PRO 205 Ca 0.24 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.32 1th3 s PRO 205 Cb -0.10 -1.71 0.17 0.00 0.04 0.00 0.00 34.50 32.90 1th3 s PRO 205 CO -0.12 -2.78 0.94 0.34 0.04 0.00 0.00 177.00 175.42 1th3 s ASP 206 N -2.82 6.67 0.19 6.66 -1.08 -0.14 -4.19 116.67 121.96 1th3 s ASP 206 Ca 0.66 -2.31 0.00 0.00 -0.52 0.00 0.00 52.55 50.38 1th3 s ASP 206 Cb -0.22 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 1th3 s ASP 206 CO 0.59 -0.84 0.00 0.61 0.52 0.00 0.00 175.17 176.05 1th3 n GLY 207 N 4.78 -1.98 0.04 2.66 0.00 -1.26 -3.89 105.19 105.54 1th3 n GLY 207 Ca 0.17 -1.37 0.12 0.00 0.00 0.00 0.00 46.02 44.94 1th3 n GLY 207 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1th3 n HIS 208 N -1.35 0.31 0.31 1.61 8.25 -1.26 -4.10 115.22 118.99 1th3 n HIS 208 Ca 0.00 0.09 0.12 0.00 -0.26 0.00 0.00 57.72 57.67 1th3 n HIS 208 Cb 0.11 -0.47 0.19 0.00 1.12 0.00 0.00 29.99 30.93 1th3 n HIS 208 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1th3 h ARG 209 N 0.00 0.00 -1.15 -0.41 3.08 -1.97 -3.36 114.38 110.58 1th3 h ARG 209 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1th3 h ARG 209 Cb 0.66 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.36 1th3 h ARG 209 CO 0.00 0.00 0.14 0.72 -1.07 0.00 0.00 179.97 179.76 1th3 n HIS 210 N -2.78 3.06 -3.88 3.04 8.25 -1.25 -4.48 115.22 117.18 1th3 n HIS 210 Ca 0.04 -2.67 -0.11 0.00 -0.26 0.00 0.00 57.72 54.72 1th3 n HIS 210 Cb 0.51 -0.86 -0.11 0.00 1.12 0.00 0.00 29.99 30.65 1th3 n HIS 210 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1th3 s MET 211 N -3.76 0.38 0.60 -0.41 0.23 -1.26 -2.26 119.30 112.82 1th3 s MET 211 Ca 0.56 -0.29 -0.13 0.00 -1.03 0.00 0.00 55.69 54.79 1th3 s MET 211 Cb 0.45 0.16 -0.04 0.00 -1.53 0.00 0.00 34.83 33.86 1th3 s MET 211 CO -0.08 -0.08 1.03 -0.51 -2.03 0.00 0.00 175.02 173.34 1th3 s ASP 212 N -1.04 6.12 0.01 -1.18 1.01 -1.26 -4.13 116.67 116.19 1th3 s ASP 212 Ca -0.11 1.57 0.07 0.00 0.71 0.00 0.00 52.55 54.79 1th3 s ASP 212 Cb -0.06 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1th3 s ASP 212 CO 0.01 -0.94 -0.22 -0.83 0.21 0.00 0.00 175.17 173.40 1th3 s GLY 213 N -3.53 1.43 0.01 0.21 0.00 -0.24 -4.30 107.32 100.89 1th3 s GLY 213 Ca 0.58 -1.15 0.01 0.00 0.00 0.00 0.00 44.72 44.16 1th3 s GLY 213 CO 0.44 -1.00 -0.05 -0.19 0.00 0.00 0.00 173.10 172.31 1th3 s TYR 214 N -0.76 0.43 0.27 1.90 2.02 -0.38 -1.47 117.35 119.37 1th3 s TYR 214 Ca 0.12 -0.20 0.03 0.00 -0.37 0.00 0.00 57.07 56.65 1th3 s TYR 214 Cb -0.10 -0.27 0.38 0.00 -0.40 0.00 0.00 41.96 41.57 1th3 s TYR 214 CO 0.02 -0.04 1.68 0.78 -1.57 0.00 0.00 175.55 176.42 1th3 h GLY 215 N 5.60 0.44 0.00 0.71 0.00 -1.46 -2.87 103.07 105.49 1th3 h GLY 215 Ca -0.29 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1th3 h GLY 215 CO 0.48 0.36 0.00 1.44 0.00 0.00 0.00 176.54 178.82 1th3 n SER 216 N -4.06 0.00 -4.74 0.19 7.64 -1.26 -4.65 113.62 106.74 1th3 n SER 216 Ca -0.01 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.55 1th3 n SER 216 Cb 0.46 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.76 1th3 n SER 216 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1th3 s HIS 217 N 0.00 2.30 0.23 1.43 3.76 -1.26 -4.85 115.29 116.91 1th3 s HIS 217 Ca 0.00 1.62 -0.19 0.00 -0.15 0.00 0.00 55.06 56.34 1th3 s HIS 217 Cb 0.00 -3.19 -0.08 0.00 1.11 0.00 0.00 32.58 30.42 1th3 s HIS 217 CO 0.00 -2.10 0.72 0.99 -0.85 0.00 0.00 174.74 173.49 1th3 s THR 218 N -2.62 4.60 0.40 1.30 2.01 -1.26 -4.62 115.64 115.44 1th3 s THR 218 Ca 0.65 1.22 0.03 0.00 0.31 0.00 0.00 61.69 63.90 1th3 s THR 218 Cb -0.21 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 1th3 s THR 218 CO 0.52 0.15 0.09 -0.36 -0.69 0.00 0.00 174.62 174.33 1th3 s PHE 219 N -1.59 1.87 -0.18 4.92 0.40 0.50 -3.79 117.98 120.12 1th3 s PHE 219 Ca 0.44 -1.12 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1th3 s PHE 219 Cb -0.16 -1.27 0.02 0.00 0.51 0.00 0.00 43.02 42.12 1th3 s PHE 219 CO 0.20 -0.11 -0.18 0.21 0.70 0.00 0.00 175.22 176.03 1th3 s LYS 220 N -3.79 3.04 -0.03 0.44 2.20 0.35 -0.19 119.74 121.76 1th3 s LYS 220 Ca 0.26 -0.81 -0.09 0.00 -0.36 0.00 0.00 55.97 54.96 1th3 s LYS 220 Cb 0.05 -2.60 -0.05 0.00 -1.51 0.00 0.00 37.83 33.71 1th3 s LYS 220 CO 0.13 -0.19 0.28 -0.51 -0.36 0.00 0.00 175.35 174.71 1th3 s LEU 221 N 1.25 4.41 -0.10 5.43 1.43 0.29 -0.28 118.68 131.12 1th3 s LEU 221 Ca 0.04 0.67 -0.00 0.00 -1.03 0.00 0.00 54.13 53.81 1th3 s LEU 221 Cb -0.13 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.64 1th3 s LEU 221 CO -0.11 0.32 -0.07 -0.69 0.23 0.00 0.00 176.35 176.03 1th3 s VAL 222 N -1.15 0.95 0.77 -1.59 1.01 -0.94 -1.09 120.40 118.36 1th3 s VAL 222 Ca 0.23 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 1th3 s VAL 222 Cb -0.14 -0.97 0.14 0.00 0.00 0.00 0.00 36.38 35.41 1th3 s VAL 222 CO 0.11 0.35 1.06 0.54 0.00 0.00 0.00 175.10 177.16 1th3 s ASN 223 N 1.54 4.13 0.61 3.32 2.20 -0.15 -0.64 114.94 125.96 1th3 s ASN 223 Ca 0.01 -0.19 0.39 0.00 -0.94 0.00 0.00 52.86 52.13 1th3 s ASN 223 Cb -0.13 -0.14 2.14 0.00 -2.00 0.00 0.00 41.25 41.12 1th3 s ASN 223 CO -0.06 -2.02 2.20 0.00 -2.94 0.00 0.00 177.10 174.29 1th3 h ALA 224 N -0.75 1.04 -0.51 3.54 0.00 -1.87 0.89 119.26 121.60 1th3 h ALA 224 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1th3 h ALA 224 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1th3 h ALA 224 CO 0.41 -0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.37 1th3 n ASP 225 N -2.92 3.14 -0.19 0.00 8.00 -1.26 -4.89 116.55 118.43 1th3 n ASP 225 Ca -0.03 -1.97 -0.02 0.00 0.71 0.00 0.00 54.79 53.48 1th3 n ASP 225 Cb 0.10 -0.34 -0.01 0.00 -0.02 0.00 0.00 41.12 40.85 1th3 n ASP 225 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1th3 n GLY 226 N 1.44 0.58 3.70 0.44 0.00 0.31 -4.99 105.19 106.66 1th3 n GLY 226 Ca 0.20 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1th3 n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1th3 s GLU 227 N -1.50 4.40 0.19 1.61 2.02 -1.25 -4.84 118.70 119.34 1th3 s GLU 227 Ca 0.00 0.97 0.06 0.00 0.02 0.00 0.00 54.97 56.02 1th3 s GLU 227 Cb 0.00 -3.49 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1th3 s GLU 227 CO 0.00 -0.07 0.15 0.00 0.02 0.00 0.00 175.26 175.36 1th3 s ALA 228 N 1.24 3.56 -0.11 5.21 0.00 -1.26 -0.97 121.76 129.43 1th3 s ALA 228 Ca 0.39 -1.28 -0.26 0.00 0.00 0.00 0.00 51.96 50.81 1th3 s ALA 228 Cb -0.18 -1.33 0.06 0.00 0.00 0.00 0.00 23.12 21.67 1th3 s ALA 228 CO 0.17 0.43 0.62 0.08 0.00 0.00 0.00 175.76 177.07 1th3 s VAL 229 N -1.86 0.01 0.43 0.00 1.01 -0.25 -4.64 120.40 115.10 1th3 s VAL 229 Ca 0.31 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 1th3 s VAL 229 Cb -0.09 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1th3 s VAL 229 CO 0.24 -0.03 0.71 -0.31 0.00 0.00 0.00 175.10 175.71 1th3 s TYR 230 N -0.68 3.53 0.33 5.22 2.02 0.05 0.11 117.35 127.93 1th3 s TYR 230 Ca -0.08 0.72 -0.19 0.00 -0.37 0.00 0.00 57.07 57.16 1th3 s TYR 230 Cb -0.02 -2.21 0.04 0.00 -0.40 0.00 0.00 41.96 39.36 1th3 s TYR 230 CO 0.06 -0.14 0.75 0.00 -1.57 0.00 0.00 175.55 174.66 1th3 s LYS 232 N -3.16 0.03 0.02 0.00 1.02 -1.04 -0.37 119.74 116.23 1th3 s LYS 232 Ca 0.13 0.30 -0.18 0.00 0.02 0.00 0.00 55.97 56.24 1th3 s LYS 232 Cb -0.06 -0.22 -0.06 0.00 -0.52 0.00 0.00 37.83 36.97 1th3 s LYS 232 CO 0.09 -0.17 0.51 -0.06 -0.92 0.00 0.00 175.35 174.79 1th3 s PHE 233 N 1.18 3.74 -0.03 3.18 0.08 -1.26 -0.02 117.98 124.85 1th3 s PHE 233 Ca -0.09 1.13 0.00 0.00 0.12 0.00 0.00 56.93 58.10 1th3 s PHE 233 Cb -0.12 -2.44 0.03 0.00 -0.57 0.00 0.00 43.02 39.92 1th3 s PHE 233 CO -0.05 0.54 0.02 -1.01 -0.10 0.00 0.00 175.22 174.62 1th3 s HIS 234 N -0.84 0.20 -0.36 0.36 3.76 0.59 -1.17 115.29 117.83 1th3 s HIS 234 Ca 0.27 0.06 0.01 0.00 -0.15 0.00 0.00 55.06 55.25 1th3 s HIS 234 Cb -0.18 -0.36 0.11 0.00 1.11 0.00 0.00 32.58 33.27 1th3 s HIS 234 CO 0.16 -0.12 0.15 1.52 -0.85 0.00 0.00 174.74 175.59 1th3 s TYR 235 N 1.14 2.00 0.20 1.40 1.13 -0.54 0.26 117.35 122.93 1th3 s TYR 235 Ca -0.08 -2.12 -0.27 0.00 -1.41 0.00 0.00 57.07 53.19 1th3 s TYR 235 Cb -0.13 -1.89 -0.08 0.00 -1.10 0.00 0.00 41.96 38.75 1th3 s TYR 235 CO -0.02 -0.85 0.84 0.15 -2.51 0.00 0.00 175.55 173.16 1th3 s LYS 236 N 1.07 4.68 0.49 -3.49 1.02 -0.57 -1.08 119.74 121.85 1th3 s LYS 236 Ca 0.13 1.29 -0.23 0.00 0.02 0.00 0.00 55.97 57.17 1th3 s LYS 236 Cb -0.20 -3.25 -0.08 0.00 -0.52 0.00 0.00 37.83 33.79 1th3 s LYS 236 CO -0.14 0.54 1.27 -2.37 -0.92 0.00 0.00 175.35 173.73 1th3 n THR 237 N 1.50 3.12 1.01 2.17 5.66 -1.26 -1.72 114.28 124.76 1th3 n THR 237 Ca -0.04 -0.50 0.10 0.00 -3.05 0.00 0.00 64.05 60.57 1th3 n THR 237 Cb 0.48 -1.56 -0.05 0.00 -1.55 0.00 0.00 70.33 67.65 1th3 n THR 237 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1th3 n ASP 238 N -0.32 1.14 -0.49 1.09 8.00 -0.83 -3.97 116.55 121.16 1th3 n ASP 238 Ca 0.09 -1.02 0.13 0.00 0.71 0.00 0.00 54.79 54.70 1th3 n ASP 238 Cb 0.42 0.81 0.49 0.00 -0.02 0.00 0.00 41.12 42.82 1th3 n ASP 238 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th3 n GLN 239 N -1.20 1.67 0.00 -1.24 3.00 -1.26 -5.00 117.38 113.35 1th3 n GLN 239 Ca 0.05 -0.98 0.00 0.00 -0.01 0.00 0.00 57.00 56.06 1th3 n GLN 239 Cb 0.36 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 29.14 1th3 n GLN 239 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1th3 n GLY 240 N 1.16 -2.08 3.60 1.08 0.00 -1.26 -4.85 105.19 102.85 1th3 n GLY 240 Ca 0.18 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 1th3 n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th3 s ILE 241 N -1.44 3.58 -0.13 -0.61 -1.09 -1.26 -4.51 121.20 115.74 1th3 s ILE 241 Ca 0.00 0.60 -0.00 0.00 -2.23 0.00 0.00 60.65 59.02 1th3 s ILE 241 Cb 0.00 -3.75 0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1th3 s ILE 241 CO 0.00 -0.46 -0.07 -0.75 -1.23 0.00 0.00 174.94 172.43 1th3 s LYS 242 N 5.39 1.48 0.35 2.79 2.36 -0.96 -5.04 119.74 126.12 1th3 s LYS 242 Ca 0.75 -0.33 0.09 0.00 -2.55 0.00 0.00 55.97 53.93 1th3 s LYS 242 Cb -0.21 -1.72 -0.07 0.00 -1.05 0.00 0.00 37.83 34.78 1th3 s LYS 242 CO 0.33 -0.32 -0.08 -0.80 1.55 0.00 0.00 175.35 176.03 1th3 s ASN 243 N 1.69 3.72 0.44 1.43 0.01 -1.26 -0.96 114.94 120.01 1th3 s ASN 243 Ca 0.04 -1.23 -0.03 0.00 -0.71 0.00 0.00 52.86 50.93 1th3 s ASN 243 Cb -0.13 -0.35 -0.03 0.00 0.41 0.00 0.00 41.25 41.15 1th3 s ASN 243 CO -0.08 -0.25 0.70 -0.76 -1.51 0.00 0.00 177.10 175.20 1th3 s LEU 244 N -3.62 3.73 0.29 0.60 1.43 0.14 -4.66 118.68 116.59 1th3 s LEU 244 Ca 0.33 0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 54.11 1th3 s LEU 244 Cb 0.04 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1th3 s LEU 244 CO 0.17 -0.53 0.50 -0.94 0.23 0.00 0.00 176.35 175.78 1th3 s SER 245 N -4.11 6.36 0.43 2.29 1.04 -1.26 -4.74 113.70 113.71 1th3 s SER 245 Ca 0.45 0.49 0.27 0.00 0.48 0.00 0.00 55.95 57.65 1th3 s SER 245 Cb -0.10 -2.05 1.45 0.00 0.10 0.00 0.00 66.02 65.42 1th3 s SER 245 CO 0.41 -0.19 1.80 0.58 0.98 0.00 0.00 173.24 176.83 1th3 h VAL 246 N 1.16 0.00 0.00 5.02 2.07 -1.98 -0.98 116.25 121.54 1th3 h VAL 246 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1th3 h VAL 246 Cb 1.20 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1th3 h VAL 246 CO 0.65 0.00 -0.15 -0.33 0.02 0.00 0.00 177.57 177.76 1th3 h GLU 247 N 0.00 0.00 -0.33 1.57 4.39 -2.00 -3.23 114.58 114.98 1th3 h GLU 247 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1th3 h GLU 247 Cb 0.13 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1th3 h GLU 247 CO 0.00 0.00 0.22 -0.44 -1.16 0.00 0.00 179.01 177.63 1th3 h ASP 248 N -0.93 0.39 -1.03 1.42 3.32 -1.91 -2.16 116.42 115.51 1th3 h ASP 248 Ca 0.00 -0.02 0.28 0.00 0.02 0.00 0.00 57.03 57.31 1th3 h ASP 248 Cb 0.15 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 1th3 h ASP 248 CO 0.00 0.29 0.70 0.00 -1.72 0.00 0.00 179.24 178.51 1th3 h ALA 249 N 1.12 2.62 0.00 3.45 0.00 -1.36 0.61 119.26 125.69 1th3 h ALA 249 Ca 0.12 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1th3 h ALA 249 Cb -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1th3 h ALA 249 CO -0.03 -0.95 -0.84 0.00 0.00 0.00 0.00 179.25 177.43 1th3 h ALA 250 N 1.55 0.58 -0.00 0.00 0.00 -1.41 -2.11 119.26 117.86 1th3 h ALA 250 Ca 0.53 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1th3 h ALA 250 Cb 1.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1th3 h ALA 250 CO -0.13 0.90 -0.00 -0.09 0.00 0.00 0.00 179.25 179.93 1th3 h ARG 251 N 0.00 0.00 -0.36 0.00 2.43 0.42 -3.17 114.38 113.71 1th3 h ARG 251 Ca -0.04 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1th3 h ARG 251 Cb 1.56 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.09 1th3 h ARG 251 CO 0.08 0.66 0.24 -0.07 -1.51 0.00 0.00 179.97 179.37 1th3 h LEU 252 N -0.66 0.38 -2.04 3.80 3.38 -0.52 -0.71 115.31 118.94 1th3 h LEU 252 Ca -0.00 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.07 1th3 h LEU 252 Cb 0.66 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1th3 h LEU 252 CO 0.00 0.27 0.38 0.00 0.09 0.00 0.00 178.44 179.18 1th3 h ALA 253 N 1.78 2.09 0.00 1.53 0.00 -1.34 0.31 119.26 123.63 1th3 h ALA 253 Ca 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1th3 h ALA 253 Cb 0.02 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1th3 h ALA 253 CO -0.03 -0.57 -1.33 -2.39 0.00 0.00 0.00 179.25 174.92 1th3 n HIS 254 N -3.81 0.00 0.11 0.00 1.44 -0.82 -4.09 115.22 108.05 1th3 n HIS 254 Ca 0.06 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.74 1th3 n HIS 254 Cb 0.55 -0.23 0.09 0.00 0.12 0.00 0.00 29.99 30.52 1th3 n HIS 254 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1th3 h GLU 255 N 0.00 0.00 -1.05 -1.40 5.08 -0.85 -3.40 114.58 112.96 1th3 h GLU 255 Ca -0.11 -0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.02 1th3 h GLU 255 Cb 1.08 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.14 1th3 h GLU 255 CO 0.01 0.73 -0.56 -3.47 -1.00 0.00 0.00 179.01 174.71 1th3 n ASP 256 N -3.68 -2.95 0.29 1.42 2.03 0.11 -4.99 116.55 108.78 1th3 n ASP 256 Ca -0.01 -2.90 0.15 0.00 0.52 0.00 0.00 54.79 52.55 1th3 n ASP 256 Cb 0.71 1.43 0.82 0.00 -0.72 0.00 0.00 41.12 43.36 1th3 n ASP 256 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1th3 h PRO 257 N 4.92 0.00 -0.47 -0.67 0.11 -1.70 0.55 132.00 134.74 1th3 h PRO 257 Ca 0.06 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.02 1th3 h PRO 257 Cb 1.07 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.09 1th3 h PRO 257 CO 0.11 0.00 0.10 -0.25 -0.21 0.00 0.00 178.00 177.74 1th3 n ASP 258 N -2.73 3.70 -0.32 -2.05 8.00 -1.26 -0.37 116.55 121.52 1th3 n ASP 258 Ca -0.02 -3.35 0.14 0.00 0.71 0.00 0.00 54.79 52.26 1th3 n ASP 258 Cb 0.25 -0.65 0.29 0.00 -0.02 0.00 0.00 41.12 40.99 1th3 n ASP 258 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1th3 h TYR 259 N 1.73 0.11 -0.21 1.24 5.03 -1.21 0.78 116.97 124.44 1th3 h TYR 259 Ca 0.19 0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.51 1th3 h TYR 259 Cb 1.86 0.10 -0.01 0.00 1.55 0.00 0.00 36.73 40.23 1th3 h TYR 259 CO 0.96 -0.35 -0.06 0.78 -1.32 0.00 0.00 178.16 178.17 1th3 h GLY 260 N 0.07 0.44 0.18 1.82 0.00 -1.86 -0.89 103.07 102.84 1th3 h GLY 260 Ca 0.57 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.54 1th3 h GLY 260 CO -0.81 0.34 -0.46 1.41 0.00 0.00 0.00 176.54 177.02 1th3 h LEU 261 N 0.13 -1.36 -0.59 3.11 3.38 -1.35 -1.46 115.31 117.17 1th3 h LEU 261 Ca 0.05 0.14 0.09 0.00 0.09 0.00 0.00 57.88 58.24 1th3 h LEU 261 Cb 0.52 0.49 -0.07 0.00 0.09 0.00 0.00 40.66 41.69 1th3 h LEU 261 CO 0.02 -0.51 0.23 -0.09 0.09 0.00 0.00 178.44 178.18 1th3 h ARG 262 N -0.71 0.40 0.59 1.13 2.43 -0.95 -2.34 114.38 114.93 1th3 h ARG 262 Ca -0.02 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1th3 h ARG 262 Cb 0.69 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1th3 h ARG 262 CO -0.21 0.27 -0.31 0.22 -1.51 0.00 0.00 179.97 178.43 1th3 h ASP 263 N 0.42 -0.74 -0.25 -3.80 1.82 -0.91 -1.78 116.42 111.17 1th3 h ASP 263 Ca 0.29 0.03 0.06 0.00 -0.39 0.00 0.00 57.03 57.02 1th3 h ASP 263 Cb 0.34 0.20 -0.06 0.00 0.68 0.00 0.00 39.33 40.50 1th3 h ASP 263 CO -0.29 -0.51 -0.13 0.25 -1.61 0.00 0.00 179.24 176.96 1th3 h LEU 264 N -0.82 -0.43 0.33 2.28 5.85 -1.13 -0.67 115.31 120.72 1th3 h LEU 264 Ca -0.08 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1th3 h LEU 264 Cb 0.65 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 1th3 h LEU 264 CO 0.11 -0.16 -0.49 0.15 -0.34 0.00 0.00 178.44 177.70 1th3 h PHE 265 N -0.10 -1.40 -0.28 1.25 3.04 -1.37 -2.09 116.94 115.99 1th3 h PHE 265 Ca 0.13 0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.17 1th3 h PHE 265 Cb 0.30 0.57 -0.08 0.00 2.56 0.00 0.00 35.95 39.30 1th3 h PHE 265 CO -0.31 -0.61 -0.27 -0.91 -2.02 0.00 0.00 178.31 174.19 1th3 h ASN 266 N -0.86 -0.87 -0.58 0.41 2.35 -1.13 0.44 115.58 115.34 1th3 h ASN 266 Ca -0.04 0.16 0.12 0.00 -0.55 0.00 0.00 56.30 55.98 1th3 h ASN 266 Cb 0.79 0.41 -0.11 0.00 0.05 0.00 0.00 38.32 39.46 1th3 h ASN 266 CO -0.15 -0.30 -0.18 0.00 -1.65 0.00 0.00 177.43 175.15 1th3 h ALA 267 N 0.77 0.31 0.07 -0.83 0.00 -0.95 0.82 119.26 119.46 1th3 h ALA 267 Ca 0.15 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1th3 h ALA 267 Cb 0.49 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1th3 h ALA 267 CO -0.43 -0.47 -0.03 0.82 0.00 0.00 0.00 179.25 179.13 1th3 h ILE 268 N -0.04 1.13 -1.13 0.00 2.04 -0.65 -0.02 117.51 118.84 1th3 h ILE 268 Ca 0.27 -0.73 0.32 0.00 1.00 0.00 0.00 64.86 65.73 1th3 h ILE 268 Cb 0.46 1.60 -0.06 0.00 -0.74 0.00 0.00 36.82 38.08 1th3 h ILE 268 CO -0.61 0.18 0.80 0.00 0.00 0.00 0.00 178.15 178.52 1th3 h ALA 269 N 0.47 2.93 -0.99 1.87 0.00 0.89 0.22 119.26 124.64 1th3 h ALA 269 Ca -0.01 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.35 1th3 h ALA 269 Cb 0.37 0.08 -0.31 0.00 0.00 0.00 0.00 17.79 17.93 1th3 h ALA 269 CO 0.02 -1.28 0.66 0.25 0.00 0.00 0.00 179.25 178.90 1th3 n THR 270 N -4.28 3.23 -0.57 0.00 -2.24 0.18 -4.91 114.28 105.69 1th3 n THR 270 Ca 0.25 -2.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.02 1th3 n THR 270 Cb 1.15 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1th3 n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1th3 n GLY 271 N -1.13 0.07 3.19 3.38 0.00 0.76 -4.86 105.19 106.61 1th3 n GLY 271 Ca 0.60 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.19 1th3 n GLY 271 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1th3 n ASN 272 N -0.07 5.07 -4.72 1.61 5.15 -0.04 -4.98 115.26 117.28 1th3 n ASN 272 Ca 0.00 -3.02 -0.42 0.00 -0.60 0.00 0.00 54.58 50.54 1th3 n ASN 272 Cb 0.03 -1.55 -0.03 0.00 -0.53 0.00 0.00 39.78 37.70 1th3 n ASN 272 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1th3 s TYR 273 N 1.41 3.33 0.52 1.20 2.02 -1.26 -4.06 117.35 120.51 1th3 s TYR 273 Ca 0.43 1.11 -0.10 0.00 -0.37 0.00 0.00 57.07 58.14 1th3 s TYR 273 Cb 0.04 -3.57 -0.05 0.00 -0.40 0.00 0.00 41.96 37.98 1th3 s TYR 273 CO 0.00 -1.88 0.90 -1.25 -1.57 0.00 0.00 175.55 171.75 1th3 s PRO 274 N 1.02 3.68 0.24 -1.71 0.05 -1.25 -4.94 135.00 132.09 1th3 s PRO 274 Ca 0.62 0.57 -0.11 0.00 0.05 0.00 0.00 61.00 62.13 1th3 s PRO 274 Cb -0.34 -2.24 -0.01 0.00 0.05 0.00 0.00 34.50 31.96 1th3 s PRO 274 CO 0.30 -0.30 0.42 -1.54 0.05 0.00 0.00 177.00 175.94 1th3 s SER 275 N -3.74 -0.03 -0.11 6.66 1.04 -1.26 -2.75 113.70 113.51 1th3 s SER 275 Ca 0.53 -1.02 -0.10 0.00 0.48 0.00 0.00 55.95 55.85 1th3 s SER 275 Cb -0.10 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.60 1th3 s SER 275 CO 0.43 -1.10 0.29 0.26 0.98 0.00 0.00 173.24 174.10 1th3 s TRP 276 N -4.02 -0.33 -0.12 5.02 0.51 -0.11 -1.97 118.94 117.92 1th3 s TRP 276 Ca 0.25 0.81 -0.19 0.00 -2.12 0.00 0.00 56.10 54.85 1th3 s TRP 276 Cb 0.01 0.11 -0.04 0.00 -0.81 0.00 0.00 33.47 32.74 1th3 s TRP 276 CO 0.10 -0.17 0.52 0.99 -0.51 0.00 0.00 176.95 177.88 1th3 s THR 277 N 0.33 5.15 -0.35 2.01 2.01 -0.70 0.61 115.64 124.71 1th3 s THR 277 Ca -0.01 1.03 -0.15 0.00 0.31 0.00 0.00 61.69 62.87 1th3 s THR 277 Cb -0.03 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 1th3 s THR 277 CO -0.01 0.29 0.35 -0.22 -0.69 0.00 0.00 174.62 174.34 1th3 s LEU 278 N 0.82 4.50 0.41 4.42 2.96 0.19 -1.50 118.68 130.48 1th3 s LEU 278 Ca 0.28 -0.31 0.07 0.00 -0.22 0.00 0.00 54.13 53.95 1th3 s LEU 278 Cb -0.16 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1th3 s LEU 278 CO 0.11 -0.34 0.27 -0.31 -1.32 0.00 0.00 176.35 174.76 1th3 s TYR 279 N 1.97 2.66 0.03 5.38 1.51 0.72 0.84 117.35 130.46 1th3 s TYR 279 Ca 0.11 -0.54 -0.11 0.00 -1.01 0.00 0.00 57.07 55.52 1th3 s TYR 279 Cb -0.17 -2.06 0.01 0.00 -0.11 0.00 0.00 41.96 39.63 1th3 s TYR 279 CO 0.12 0.04 0.23 0.96 -1.11 0.00 0.00 175.55 175.79 1th3 s ILE 280 N -2.54 0.09 0.16 2.71 -4.36 -0.23 -0.30 121.20 116.73 1th3 s ILE 280 Ca 0.44 -0.77 0.06 0.00 -0.26 0.00 0.00 60.65 60.13 1th3 s ILE 280 Cb 0.01 -0.85 -0.04 0.00 1.25 0.00 0.00 42.46 42.83 1th3 s ILE 280 CO 0.25 -0.43 0.04 -1.10 0.24 0.00 0.00 174.94 173.95 1th3 s GLN 281 N -2.32 2.58 -0.08 0.37 -0.21 0.97 -0.26 119.66 120.71 1th3 s GLN 281 Ca -0.07 -1.00 -0.01 0.00 0.02 0.00 0.00 55.36 54.30 1th3 s GLN 281 Cb -0.02 -2.47 0.03 0.00 1.00 0.00 0.00 33.01 31.55 1th3 s GLN 281 CO -0.02 0.47 -0.02 0.08 -2.12 0.00 0.00 175.29 173.68 1th3 s VAL 282 N -1.70 0.54 -0.18 1.09 1.01 -1.26 -2.51 120.40 117.39 1th3 s VAL 282 Ca 0.28 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1th3 s VAL 282 Cb -0.10 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.65 1th3 s VAL 282 CO 0.20 0.28 -0.17 -0.32 0.00 0.00 0.00 175.10 175.10 1th3 s MET 283 N 1.83 2.63 0.60 2.72 0.00 -0.33 -4.91 119.30 121.84 1th3 s MET 283 Ca 0.04 -0.79 -0.15 0.00 0.00 0.00 0.00 55.69 54.79 1th3 s MET 283 Cb -0.12 -2.44 -0.03 0.00 0.00 0.00 0.00 34.83 32.23 1th3 s MET 283 CO -0.06 -0.27 1.04 0.95 0.00 0.00 0.00 175.02 176.69 1th3 s THR 284 N 1.34 4.01 0.48 10.11 -4.23 -1.26 -0.77 115.64 125.32 1th3 s THR 284 Ca 0.03 0.88 0.24 0.00 -1.18 0.00 0.00 61.69 61.67 1th3 s THR 284 Cb -0.14 -3.46 0.43 0.00 1.34 0.00 0.00 72.50 70.67 1th3 s THR 284 CO -0.11 -0.63 1.88 -0.26 -0.54 0.00 0.00 174.62 174.95 1th3 h PHE 285 N 0.25 0.26 0.62 3.99 -1.00 -1.96 -0.65 116.94 118.46 1th3 h PHE 285 Ca -0.46 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.30 1th3 h PHE 285 Cb 1.21 -0.08 0.01 0.00 3.61 0.00 0.00 35.95 40.70 1th3 h PHE 285 CO 0.60 0.06 -0.30 0.77 -1.61 0.00 0.00 178.31 177.84 1th3 h SER 286 N 0.19 -0.71 -0.29 2.17 0.02 -1.98 -3.04 113.55 109.92 1th3 h SER 286 Ca 0.44 -0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.40 1th3 h SER 286 Cb 1.41 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 64.12 1th3 h SER 286 CO -0.09 -0.36 0.19 -0.33 -1.14 0.00 0.00 176.83 175.11 1th3 h GLU 287 N -1.10 0.26 0.00 3.45 5.08 -1.74 0.24 114.58 120.77 1th3 h GLU 287 Ca -0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1th3 h GLU 287 Cb 0.69 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1th3 h GLU 287 CO 0.14 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 178.32 1th3 h ALA 288 N 1.84 1.00 0.12 3.43 0.00 -1.09 -1.59 119.26 122.97 1th3 h ALA 288 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1th3 h ALA 288 Cb 0.15 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.96 1th3 h ALA 288 CO -0.02 0.00 -0.78 1.49 0.00 0.00 0.00 179.25 179.93 1th3 h GLU 289 N 0.00 0.32 -0.48 0.00 4.57 -0.39 -3.35 114.58 115.25 1th3 h GLU 289 Ca 0.00 -0.51 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1th3 h GLU 289 Cb 0.24 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1th3 h GLU 289 CO 0.00 1.22 0.00 0.44 -1.18 0.00 0.00 179.01 179.49 1th3 n ILE 290 N -4.14 0.63 -1.69 2.32 -6.64 -1.01 -4.96 119.36 103.87 1th3 n ILE 290 Ca -0.13 -0.76 -0.44 0.00 -1.77 0.00 0.00 62.75 59.64 1th3 n ILE 290 Cb 0.80 0.70 -0.03 0.00 -1.44 0.00 0.00 39.64 39.67 1th3 n ILE 290 CO 0.00 0.00 0.00 0.33 -1.77 0.00 0.00 176.55 175.11 1th3 n PHE 291 N 1.36 2.40 0.19 4.28 7.35 -0.63 -4.84 117.46 127.56 1th3 n PHE 291 Ca 0.20 0.31 0.10 0.00 -0.76 0.00 0.00 57.45 57.31 1th3 n PHE 291 Cb 0.56 -2.53 0.55 0.00 0.35 0.00 0.00 39.48 38.41 1th3 n PHE 291 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1th3 h PRO 292 N 5.05 0.00 -4.90 -7.13 0.11 -1.93 -3.43 132.00 119.78 1th3 h PRO 292 Ca -0.45 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.23 1th3 h PRO 292 Cb 1.25 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.22 1th3 h PRO 292 CO 0.82 0.00 -0.55 -0.06 -0.21 0.00 0.00 178.00 178.00 1th3 s PHE 293 N -3.53 1.62 -0.03 0.65 0.08 -1.26 -5.10 117.98 110.41 1th3 s PHE 293 Ca -0.02 -1.37 -0.30 0.00 0.12 0.00 0.00 56.93 55.36 1th3 s PHE 293 Cb 0.06 -0.88 -0.05 0.00 -0.57 0.00 0.00 43.02 41.58 1th3 s PHE 293 CO 0.18 -0.51 1.48 1.21 -0.10 0.00 0.00 175.22 177.49 1th3 s ASN 294 N -3.39 6.78 0.07 1.36 3.84 -1.26 -4.89 114.94 117.45 1th3 s ASN 294 Ca 0.35 2.13 0.17 0.00 0.21 0.00 0.00 52.86 55.72 1th3 s ASN 294 Cb 0.05 -2.55 0.72 0.00 -0.55 0.00 0.00 41.25 38.92 1th3 s ASN 294 CO 0.18 -0.80 1.53 -2.65 -2.79 0.00 0.00 177.10 172.57 1th3 n PRO 295 N 6.06 0.05 -0.45 0.43 -0.02 -1.26 -2.56 135.00 137.25 1th3 n PRO 295 Ca 0.15 0.29 0.06 0.00 -2.02 0.00 0.00 63.50 61.97 1th3 n PRO 295 Cb 0.43 -1.60 0.21 0.00 -0.02 0.00 0.00 33.50 32.53 1th3 n PRO 295 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1th3 n PHE 296 N -1.69 0.66 -3.19 6.00 3.72 -1.26 -4.74 117.46 116.96 1th3 n PHE 296 Ca 0.03 -1.13 -0.42 0.00 -0.05 0.00 0.00 57.45 55.88 1th3 n PHE 296 Cb 0.19 -0.31 -0.07 0.00 -0.94 0.00 0.00 39.48 38.34 1th3 n PHE 296 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1th3 s ASP 297 N -2.43 6.31 0.65 4.37 -1.08 -1.06 -4.16 116.67 119.27 1th3 s ASP 297 Ca 0.40 -0.22 0.38 0.00 -0.52 0.00 0.00 52.55 52.58 1th3 s ASP 297 Cb 0.34 -2.29 2.04 0.00 -1.46 0.00 0.00 42.92 41.56 1th3 s ASP 297 CO 0.04 -0.62 2.15 0.25 0.52 0.00 0.00 175.17 177.51 1th3 h LEU 298 N 9.34 0.00 -2.98 -1.34 5.85 -1.87 -2.08 115.31 122.22 1th3 h LEU 298 Ca -0.27 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.29 1th3 h LEU 298 Cb 1.11 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.04 1th3 h LEU 298 CO 0.83 0.00 0.21 0.35 -0.34 0.00 0.00 178.44 179.49 1th3 n THR 299 N -2.95 2.12 -4.17 1.05 -2.24 -1.26 -2.30 114.28 104.52 1th3 n THR 299 Ca -0.03 -1.08 -0.11 0.00 -2.27 0.00 0.00 64.05 60.57 1th3 n THR 299 Cb 0.20 -0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 67.82 1th3 n THR 299 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1th3 s LYS 300 N -2.15 0.88 0.13 -0.78 -0.14 -0.78 -4.93 119.74 111.97 1th3 s LYS 300 Ca 0.36 -1.38 0.05 0.00 -1.36 0.00 0.00 55.97 53.65 1th3 s LYS 300 Cb 0.29 -0.11 -0.04 0.00 -1.68 0.00 0.00 37.83 36.29 1th3 s LYS 300 CO 0.09 -0.09 -0.13 0.14 -0.76 0.00 0.00 175.35 174.61 1th3 s VAL 301 N -3.72 1.27 -0.51 3.17 -7.23 -1.26 -4.84 120.40 107.28 1th3 s VAL 301 Ca 0.15 -1.84 -0.18 0.00 -1.81 0.00 0.00 61.98 58.30 1th3 s VAL 301 Cb 0.06 -1.63 0.07 0.00 0.56 0.00 0.00 36.38 35.43 1th3 s VAL 301 CO -0.03 -0.54 0.59 0.26 -0.31 0.00 0.00 175.10 175.08 1th3 s TRP 302 N -2.55 3.08 -0.11 2.82 0.51 -1.26 -5.02 118.94 116.40 1th3 s TRP 302 Ca 0.12 -0.65 -0.38 0.00 -2.12 0.00 0.00 56.10 53.07 1th3 s TRP 302 Cb -0.02 -3.53 -0.16 0.00 -0.81 0.00 0.00 33.47 28.95 1th3 s TRP 302 CO 0.02 -1.02 1.61 -2.30 -0.51 0.00 0.00 176.95 174.76 1th3 n PRO 303 N 6.02 1.31 -0.31 4.98 -0.02 -1.26 -4.73 135.00 140.99 1th3 n PRO 303 Ca -0.08 0.48 0.10 0.00 -2.02 0.00 0.00 63.50 61.98 1th3 n PRO 303 Cb 0.45 -2.17 0.22 0.00 -0.02 0.00 0.00 33.50 31.98 1th3 n PRO 303 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1th3 h HIS 304 N 6.43 -0.11 -0.91 6.00 3.86 -1.96 -0.28 115.15 128.19 1th3 h HIS 304 Ca -0.47 0.07 0.11 0.00 -1.16 0.00 0.00 60.37 58.92 1th3 h HIS 304 Cb 1.32 0.19 -0.13 0.00 1.06 0.00 0.00 27.41 29.85 1th3 h HIS 304 CO 0.72 -0.36 -0.48 0.78 0.86 0.00 0.00 177.93 179.45 1th3 h GLY 305 N 0.05 -0.40 1.39 2.45 0.00 -1.99 0.12 103.07 104.69 1th3 h GLY 305 Ca 0.52 0.64 -0.07 0.00 0.00 0.00 0.00 47.33 48.41 1th3 h GLY 305 CO -0.84 -0.10 -0.84 -0.55 0.00 0.00 0.00 176.54 174.21 1th3 h ASP 306 N -0.05 0.00 -2.24 0.19 3.32 -1.55 -3.40 116.42 112.69 1th3 h ASP 306 Ca 0.24 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.70 1th3 h ASP 306 Cb 0.52 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.67 1th3 h ASP 306 CO -0.91 0.28 -0.88 -1.22 -1.72 0.00 0.00 179.24 174.80 1th3 n TYR 307 N -2.94 1.09 -1.65 4.55 4.01 -0.25 -5.07 117.16 116.91 1th3 n TYR 307 Ca -0.02 -3.77 -0.40 0.00 -0.16 0.00 0.00 57.90 53.55 1th3 n TYR 307 Cb 0.67 -0.34 0.02 0.00 -0.31 0.00 0.00 39.34 39.39 1th3 n TYR 307 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1th3 n PRO 308 N 1.55 1.41 -1.43 -0.72 -0.02 -0.04 -4.41 135.00 131.33 1th3 n PRO 308 Ca 0.25 0.51 -0.32 0.00 -2.02 0.00 0.00 63.50 61.92 1th3 n PRO 308 Cb 0.47 -2.21 0.08 0.00 -0.02 0.00 0.00 33.50 31.82 1th3 n PRO 308 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1th3 s LEU 309 N -1.45 3.21 -0.06 2.45 2.01 -1.26 -4.47 118.68 119.11 1th3 s LEU 309 Ca 0.67 2.04 -0.02 0.00 0.01 0.00 0.00 54.13 56.83 1th3 s LEU 309 Cb -0.49 -4.55 0.03 0.00 0.01 0.00 0.00 46.19 41.18 1th3 s LEU 309 CO 0.54 -2.04 0.03 -0.63 1.01 0.00 0.00 176.35 175.26 1th3 s ILE 310 N -2.47 0.13 0.31 -0.59 1.01 0.64 -4.85 121.20 115.39 1th3 s ILE 310 Ca 0.67 0.24 -0.29 0.00 0.00 0.00 0.00 60.65 61.26 1th3 s ILE 310 Cb -0.21 -0.37 -0.12 0.00 0.01 0.00 0.00 42.46 41.77 1th3 s ILE 310 CO 0.48 0.19 1.49 -0.81 0.00 0.00 0.00 174.94 176.29 1th3 n PRO 311 N 5.22 2.48 0.04 2.79 -0.04 -1.26 -1.07 135.00 143.16 1th3 n PRO 311 Ca -0.05 0.88 -0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1th3 n PRO 311 Cb 0.50 -2.59 -0.00 0.00 -0.04 0.00 0.00 33.50 31.36 1th3 n PRO 311 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1th3 n VAL 312 N 1.41 1.07 -3.32 0.52 0.31 0.25 -4.54 118.33 114.03 1th3 n VAL 312 Ca 0.07 0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.75 1th3 n VAL 312 Cb 0.36 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1th3 n VAL 312 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1th3 n GLY 313 N 3.41 1.15 3.36 2.92 0.00 -1.15 0.52 105.19 115.41 1th3 n GLY 313 Ca -0.00 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 1th3 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1th3 s LYS 314 N -1.05 2.07 -0.33 1.61 1.02 0.29 0.55 119.74 123.90 1th3 s LYS 314 Ca 0.00 -0.96 -0.10 0.00 0.02 0.00 0.00 55.97 54.94 1th3 s LYS 314 Cb 0.00 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1th3 s LYS 314 CO 0.00 0.55 0.17 -0.51 -0.92 0.00 0.00 175.35 174.64 1th3 s LEU 315 N -0.91 4.25 -0.08 3.17 1.43 0.20 -1.80 118.68 124.94 1th3 s LEU 315 Ca 0.11 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 1th3 s LEU 315 Cb -0.10 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 1th3 s LEU 315 CO 0.01 -0.24 -0.24 -0.69 0.23 0.00 0.00 176.35 175.42 1th3 s VAL 316 N 1.60 2.02 -0.20 -1.59 1.01 -0.63 -0.93 120.40 121.68 1th3 s VAL 316 Ca 0.04 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 1th3 s VAL 316 Cb -0.18 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.47 1th3 s VAL 316 CO 0.06 0.56 -0.09 -0.76 0.00 0.00 0.00 175.10 174.87 1th3 s LEU 317 N 0.10 2.67 -0.02 3.92 1.43 -1.11 0.21 118.68 125.89 1th3 s LEU 317 Ca -0.11 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.58 1th3 s LEU 317 Cb -0.16 -1.66 0.06 0.00 0.03 0.00 0.00 46.19 44.47 1th3 s LEU 317 CO 0.06 0.01 1.03 -0.46 0.23 0.00 0.00 176.35 177.22 1th3 n ASN 318 N 4.61 0.42 -3.65 2.29 0.23 -0.95 -3.90 115.26 114.31 1th3 n ASN 318 Ca -0.19 -2.19 -0.14 0.00 -0.53 0.00 0.00 54.58 51.54 1th3 n ASN 318 Cb 0.51 -0.24 -0.13 0.00 -2.08 0.00 0.00 39.78 37.84 1th3 n ASN 318 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1th3 s ARG 319 N -0.48 0.16 0.67 -3.83 3.52 -0.69 -5.00 118.95 113.29 1th3 s ARG 319 Ca 0.07 0.72 -0.11 0.00 -0.13 0.00 0.00 55.73 56.28 1th3 s ARG 319 Cb 0.06 -0.10 -0.01 0.00 -1.56 0.00 0.00 34.95 33.34 1th3 s ARG 319 CO -0.00 -0.31 1.05 -0.80 -0.81 0.00 0.00 175.30 174.43 1th3 s ASN 320 N 2.42 5.70 0.41 -2.12 0.02 -1.26 -1.22 114.94 118.89 1th3 s ASN 320 Ca 0.02 1.43 -0.24 0.00 -1.02 0.00 0.00 52.86 53.05 1th3 s ASN 320 Cb -0.12 -2.36 -0.09 0.00 0.02 0.00 0.00 41.25 38.70 1th3 s ASN 320 CO -0.09 -1.21 1.06 -2.16 0.02 0.00 0.00 177.10 174.72 1th3 s PRO 321 N -5.16 4.11 -0.03 -0.60 0.04 -1.26 -4.84 135.00 127.26 1th3 s PRO 321 Ca 0.57 1.53 -0.15 0.00 0.04 0.00 0.00 61.00 62.98 1th3 s PRO 321 Cb -0.12 -2.50 -0.32 0.00 0.04 0.00 0.00 34.50 31.59 1th3 s PRO 321 CO 0.54 -0.19 0.81 0.28 0.04 0.00 0.00 177.00 178.48 1th3 h VAL 322 N 2.13 1.17 -3.42 -0.36 2.07 -1.99 -3.42 116.25 112.43 1th3 h VAL 322 Ca -0.48 -2.57 -0.60 0.00 0.82 0.00 0.00 66.70 63.87 1th3 h VAL 322 Cb 1.22 2.93 -0.39 0.00 -1.52 0.00 0.00 31.29 33.53 1th3 h VAL 322 CO 0.62 0.80 -0.76 0.21 0.02 0.00 0.00 177.57 178.46 1th3 s ASN 323 N -7.33 3.94 0.22 0.57 3.84 -1.26 -5.04 114.94 109.89 1th3 s ASN 323 Ca -0.14 -1.46 -0.14 0.00 0.21 0.00 0.00 52.86 51.34 1th3 s ASN 323 Cb 0.04 -1.06 0.26 0.00 -0.55 0.00 0.00 41.25 39.94 1th3 s ASN 323 CO 0.87 -0.33 1.60 0.22 -2.79 0.00 0.00 177.10 176.67 1th3 h TYR 324 N 7.99 -0.53 0.00 0.43 3.20 -1.97 -1.89 116.97 124.20 1th3 h TYR 324 Ca -0.14 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1th3 h TYR 324 Cb 1.05 0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.66 1th3 h TYR 324 CO 0.41 -0.34 0.00 0.34 -1.64 0.00 0.00 178.16 176.94 1th3 n PHE 325 N -5.48 0.00 -0.31 -3.82 7.35 -1.26 0.10 117.46 114.04 1th3 n PHE 325 Ca 0.09 0.00 0.24 0.00 -0.76 0.00 0.00 57.45 57.02 1th3 n PHE 325 Cb 0.37 -0.50 0.54 0.00 0.35 0.00 0.00 39.48 40.25 1th3 n PHE 325 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1th3 h ALA 326 N -1.73 2.35 0.00 3.13 0.00 -1.94 -1.43 119.26 119.64 1th3 h ALA 326 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1th3 h ALA 326 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1th3 h ALA 326 CO 0.00 -0.73 -1.28 0.39 0.00 0.00 0.00 179.25 177.63 1th3 n GLU 327 N -4.56 1.16 0.06 0.00 1.02 -0.73 -4.56 120.64 113.03 1th3 n GLU 327 Ca 0.25 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1th3 n GLU 327 Cb 0.91 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 1th3 n GLU 327 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1th3 n VAL 328 N -1.75 1.14 -0.24 2.62 0.31 0.29 -4.45 118.33 116.25 1th3 n VAL 328 Ca -0.00 0.38 0.04 0.00 -0.01 0.00 0.00 64.34 64.74 1th3 n VAL 328 Cb 0.33 -1.50 0.16 0.00 -0.91 0.00 0.00 33.84 31.92 1th3 n VAL 328 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1th3 h GLU 329 N 0.00 0.41 0.00 5.55 4.57 -1.03 0.54 114.58 124.62 1th3 h GLU 329 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1th3 h GLU 329 Cb 0.00 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1th3 h GLU 329 CO 0.00 0.27 0.00 1.04 -1.18 0.00 0.00 179.01 179.14 1th3 n GLN 330 N -5.01 0.24 -1.59 1.92 6.02 -0.57 -4.88 117.38 113.52 1th3 n GLN 330 Ca 0.13 0.27 -0.43 0.00 -0.01 0.00 0.00 57.00 56.96 1th3 n GLN 330 Cb 0.37 -1.82 -0.00 0.00 1.02 0.00 0.00 30.24 29.81 1th3 n GLN 330 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1th3 n LEU 331 N -2.25 2.05 -3.79 1.08 7.94 0.18 -4.92 117.00 117.29 1th3 n LEU 331 Ca 0.05 1.09 -0.14 0.00 -1.11 0.00 0.00 56.01 55.89 1th3 n LEU 331 Cb 0.37 -1.31 -0.15 0.00 0.53 0.00 0.00 43.42 42.86 1th3 n LEU 331 CO 0.27 -1.55 -0.33 0.00 -1.11 0.00 0.00 177.39 174.67 1th3 s ALA 332 N -1.20 0.01 -0.06 1.96 0.00 -1.26 -5.03 121.76 116.18 1th3 s ALA 332 Ca 0.61 0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.93 1th3 s ALA 332 Cb -0.62 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 1th3 s ALA 332 CO 0.58 -0.09 -0.24 -0.06 0.00 0.00 0.00 175.76 175.95 1th3 s PHE 333 N 0.85 2.47 -0.18 0.00 0.40 -1.26 -4.92 117.98 115.34 1th3 s PHE 333 Ca -0.07 -0.64 0.00 0.00 -0.60 0.00 0.00 56.93 55.62 1th3 s PHE 333 Cb -0.10 -1.60 0.04 0.00 0.51 0.00 0.00 43.02 41.87 1th3 s PHE 333 CO -0.03 -0.16 -0.09 -0.51 0.70 0.00 0.00 175.22 175.13 1th3 s ASP 334 N -0.24 3.05 0.53 1.36 1.01 -1.26 -4.80 116.67 116.32 1th3 s ASP 334 Ca -0.01 -0.73 0.20 0.00 0.71 0.00 0.00 52.55 52.72 1th3 s ASP 334 Cb -0.13 -1.08 1.34 0.00 1.01 0.00 0.00 42.92 44.05 1th3 s ASP 334 CO 0.03 -0.15 2.09 -0.65 0.21 0.00 0.00 175.17 176.70 1th3 h PRO 335 N 8.05 0.00 -0.56 8.23 0.11 -1.85 -0.20 132.00 145.78 1th3 h PRO 335 Ca -0.28 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.90 1th3 h PRO 335 Cb 1.11 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1th3 h PRO 335 CO 0.45 0.00 0.37 0.77 -0.21 0.00 0.00 178.00 179.38 1th3 h SER 336 N 0.00 0.46 -0.52 -2.05 0.02 -1.85 -3.37 113.55 106.24 1th3 h SER 336 Ca 0.10 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.87 1th3 h SER 336 Cb 0.39 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1th3 h SER 336 CO -0.00 0.30 0.46 0.20 -1.14 0.00 0.00 176.83 176.64 1th3 s ASN 337 N -6.38 4.56 -0.06 3.07 0.02 -0.09 -4.85 114.94 111.20 1th3 s ASN 337 Ca -0.08 -0.52 0.01 0.00 -1.02 0.00 0.00 52.86 51.25 1th3 s ASN 337 Cb 0.19 -2.56 0.02 0.00 0.02 0.00 0.00 41.25 38.92 1th3 s ASN 337 CO 0.75 -3.33 -0.08 -0.04 0.02 0.00 0.00 177.10 174.42 1th3 s MET 338 N 7.75 1.25 0.63 -0.60 -1.94 -1.26 -1.76 119.30 123.36 1th3 s MET 338 Ca 0.79 -0.23 -0.04 0.00 -1.71 0.00 0.00 55.69 54.50 1th3 s MET 338 Cb -0.08 -1.17 0.04 0.00 2.01 0.00 0.00 34.83 35.62 1th3 s MET 338 CO 0.05 -0.08 0.91 -1.25 -0.01 0.00 0.00 175.02 174.63 1th3 s PRO 339 N 1.01 2.48 -0.35 2.03 0.04 -1.26 -4.92 135.00 134.03 1th3 s PRO 339 Ca -0.09 -0.36 -0.43 0.00 0.04 0.00 0.00 61.00 60.16 1th3 s PRO 339 Cb -0.14 -2.30 -0.17 0.00 0.04 0.00 0.00 34.50 31.92 1th3 s PRO 339 CO -0.00 -0.94 1.67 -2.30 0.04 0.00 0.00 177.00 175.47 1th3 n PRO 340 N -2.65 0.70 0.00 0.56 -0.02 -1.26 -1.87 135.00 130.46 1th3 n PRO 340 Ca 0.07 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1th3 n PRO 340 Cb 0.60 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1th3 n PRO 340 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1th3 n GLY 341 N 4.05 0.74 2.59 -1.23 0.00 -1.26 -3.14 105.19 106.93 1th3 n GLY 341 Ca 0.28 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 1th3 n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th3 s ILE 342 N -2.00 -0.15 0.44 -0.61 1.01 -0.78 -2.21 121.20 116.90 1th3 s ILE 342 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 59.99 1th3 s ILE 342 Cb 0.00 -0.98 -0.06 0.00 0.01 0.00 0.00 42.46 41.43 1th3 s ILE 342 CO 0.00 -0.67 0.01 -1.61 0.00 0.00 0.00 174.94 172.67 1th3 s GLU 343 N 2.14 2.03 0.57 2.79 2.02 0.62 -4.33 118.70 124.54 1th3 s GLU 343 Ca 0.09 -2.20 -0.06 0.00 0.02 0.00 0.00 54.97 52.82 1th3 s GLU 343 Cb -0.16 -1.59 -0.00 0.00 0.10 0.00 0.00 34.13 32.48 1th3 s GLU 343 CO -0.35 -0.15 0.89 -1.25 0.02 0.00 0.00 175.26 174.42 1th3 s PRO 344 N -3.76 3.09 0.51 0.39 0.04 -1.26 -0.50 135.00 133.51 1th3 s PRO 344 Ca 0.26 0.11 0.08 0.00 0.04 0.00 0.00 61.00 61.50 1th3 s PRO 344 Cb 0.07 -2.27 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1th3 s PRO 344 CO 0.13 -0.60 0.60 -1.54 0.04 0.00 0.00 177.00 175.63 1th3 s SER 345 N -4.26 5.13 0.00 6.66 1.04 -1.25 -4.26 113.70 116.76 1th3 s SER 345 Ca 0.53 -0.81 0.02 0.00 0.48 0.00 0.00 55.95 56.17 1th3 s SER 345 Cb -0.11 -0.05 0.14 0.00 0.10 0.00 0.00 66.02 66.11 1th3 s SER 345 CO 0.46 -1.04 1.05 -2.65 0.98 0.00 0.00 173.24 172.03 1th3 n PRO 346 N -1.94 0.96 -1.54 4.02 -0.02 -1.26 -4.72 135.00 130.49 1th3 n PRO 346 Ca 0.09 0.00 -0.63 0.00 -2.02 0.00 0.00 63.50 60.94 1th3 n PRO 346 Cb 0.62 -1.04 -0.10 0.00 -0.02 0.00 0.00 33.50 32.95 1th3 n PRO 346 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1th3 n ASP 347 N -0.54 1.22 -0.27 2.55 -0.08 -1.26 -4.78 116.55 113.40 1th3 n ASP 347 Ca 0.02 0.94 0.12 0.00 -1.51 0.00 0.00 54.79 54.35 1th3 n ASP 347 Cb 0.01 -0.94 0.38 0.00 2.34 0.00 0.00 41.12 42.91 1th3 n ASP 347 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1th3 h LYS 348 N 7.21 0.67 -0.00 -0.67 1.57 -1.80 0.14 116.57 123.68 1th3 h LYS 348 Ca -0.30 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1th3 h LYS 348 Cb 1.38 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1th3 h LYS 348 CO 1.02 0.44 -0.00 0.52 -0.57 0.00 0.00 179.45 180.86 1th3 h MET 349 N 0.69 0.00 -0.95 3.15 2.86 -1.86 -2.94 114.93 115.87 1th3 h MET 349 Ca 0.44 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 58.16 1th3 h MET 349 Cb 0.71 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.31 1th3 h MET 349 CO -0.20 0.61 0.62 1.25 1.06 0.00 0.00 176.91 180.25 1th3 h LEU 350 N -0.61 0.94 -0.51 1.22 5.85 -1.76 -2.28 115.31 118.17 1th3 h LEU 350 Ca -0.00 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1th3 h LEU 350 Cb 0.61 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1th3 h LEU 350 CO 0.00 0.59 0.26 1.56 -0.34 0.00 0.00 178.44 180.51 1th3 h GLN 351 N 1.06 0.49 0.00 1.25 1.08 -0.75 -1.59 115.11 116.65 1th3 h GLN 351 Ca 0.42 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.55 1th3 h GLN 351 Cb 0.25 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1th3 h GLN 351 CO -0.17 0.32 -0.21 0.78 -0.95 0.00 0.00 178.83 178.60 1th3 h GLY 352 N 0.50 0.00 1.84 3.46 0.00 -1.23 -2.97 103.07 104.66 1th3 h GLY 352 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.41 1th3 h GLY 352 CO -0.16 0.00 -0.64 3.21 0.00 0.00 0.00 176.54 178.95 1th3 h ARG 353 N 0.00 0.16 -0.18 4.80 3.08 -0.98 -2.75 114.38 118.51 1th3 h ARG 353 Ca -0.00 -0.12 0.05 0.00 0.07 0.00 0.00 59.98 59.98 1th3 h ARG 353 Cb 0.62 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1th3 h ARG 353 CO 0.03 0.75 0.19 -0.07 -1.07 0.00 0.00 179.97 179.80 1th3 h LEU 354 N 0.12 0.00 0.00 3.04 3.38 -1.27 -3.06 115.31 117.51 1th3 h LEU 354 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1th3 h LEU 354 Cb 1.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1th3 h LEU 354 CO 0.09 0.00 -1.14 0.33 0.09 0.00 0.00 178.44 177.81 1th3 n PHE 355 N -3.86 0.96 -0.33 1.13 7.35 -1.08 -4.68 117.46 116.96 1th3 n PHE 355 Ca 0.01 0.41 -0.01 0.00 -0.76 0.00 0.00 57.45 57.11 1th3 n PHE 355 Cb 0.31 -1.02 0.12 0.00 0.35 0.00 0.00 39.48 39.24 1th3 n PHE 355 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1th3 h ALA 356 N -0.63 1.18 0.71 3.13 0.00 -1.40 -2.49 119.26 119.78 1th3 h ALA 356 Ca -0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1th3 h ALA 356 Cb 1.14 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1th3 h ALA 356 CO -0.17 0.42 -0.34 1.88 0.00 0.00 0.00 179.25 181.04 1th3 h TYR 357 N 1.12 -0.89 -1.00 0.00 -1.99 -1.82 0.34 116.97 112.73 1th3 h TYR 357 Ca 0.36 -0.02 0.08 0.00 2.00 0.00 0.00 58.73 61.15 1th3 h TYR 357 Cb 0.02 0.29 -0.07 0.00 2.00 0.00 0.00 36.73 38.97 1th3 h TYR 357 CO -0.02 -0.55 0.64 -1.35 -0.00 0.00 0.00 178.16 176.89 1th3 h PRO 358 N -1.03 1.08 -0.73 4.88 0.11 -1.83 0.19 132.00 134.67 1th3 h PRO 358 Ca -0.10 -0.07 0.09 0.00 0.11 0.00 0.00 66.00 66.03 1th3 h PRO 358 Cb 0.73 -0.24 -0.07 0.00 0.11 0.00 0.00 31.00 31.53 1th3 h PRO 358 CO 0.16 0.72 0.39 0.22 -0.21 0.00 0.00 178.00 179.28 1th3 h ASP 359 N 1.12 0.54 0.52 -2.05 3.58 -1.25 -0.58 116.42 118.30 1th3 h ASP 359 Ca 0.45 0.05 -0.27 0.00 0.42 0.00 0.00 57.03 57.68 1th3 h ASP 359 Cb 0.27 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.28 1th3 h ASP 359 CO -0.20 0.32 -1.21 0.00 -2.88 0.00 0.00 179.24 175.27 1th3 h THR 360 N 0.67 1.45 -0.55 2.25 1.03 0.11 -3.26 112.91 114.62 1th3 h THR 360 Ca 0.35 -2.89 -0.02 0.00 -0.01 0.00 0.00 66.41 63.84 1th3 h THR 360 Cb 0.33 2.85 -0.03 0.00 -1.07 0.00 0.00 68.15 70.23 1th3 h THR 360 CO -0.24 0.85 0.26 0.45 -0.01 0.00 0.00 175.52 176.83 1th3 h HIS 361 N 0.12 0.76 0.00 0.00 3.86 -0.26 0.25 115.15 119.88 1th3 h HIS 361 Ca -0.14 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 1th3 h HIS 361 Cb 1.92 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 30.15 1th3 h HIS 361 CO 0.07 0.56 0.00 0.00 0.86 0.00 0.00 177.93 179.43 1th3 h ARG 362 N 0.77 0.00 0.00 2.45 3.08 -1.15 -0.87 114.38 118.66 1th3 h ARG 362 Ca 0.19 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.83 1th3 h ARG 362 Cb 0.09 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 1th3 h ARG 362 CO -0.03 0.00 -2.38 1.58 -1.07 0.00 0.00 179.97 178.08 1th3 n HIS 363 N -2.68 0.00 -0.08 3.04 -0.00 -0.20 -2.83 115.22 112.46 1th3 n HIS 363 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.60 1th3 n HIS 363 Cb 0.13 -0.88 -0.04 0.00 -0.00 0.00 0.00 29.99 29.20 1th3 n HIS 363 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1th3 h ARG 364 N -0.84 0.41 0.00 1.57 2.43 -0.58 -3.37 114.38 114.00 1th3 h ARG 364 Ca -0.62 -0.11 -0.42 0.00 -0.81 0.00 0.00 59.98 58.02 1th3 h ARG 364 Cb 1.56 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 31.00 1th3 h ARG 364 CO -0.37 0.54 -2.28 1.28 -1.51 0.00 0.00 179.97 177.63 1th3 n LEU 365 N -4.69 1.94 0.00 3.80 4.77 -0.42 -4.35 117.00 118.05 1th3 n LEU 365 Ca -0.03 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 1th3 n LEU 365 Cb 0.20 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1th3 n LEU 365 CO 0.37 0.52 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 1th3 n GLY 366 N 1.30 4.28 0.33 -0.72 0.00 -0.65 -4.85 105.19 104.87 1th3 n GLY 366 Ca -0.50 -1.52 0.19 0.00 0.00 0.00 0.00 46.02 44.19 1th3 n GLY 366 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1th3 h PRO 367 N 0.00 0.36 -1.00 1.61 0.11 -1.81 -1.76 132.00 129.50 1th3 h PRO 367 Ca 0.00 -0.02 -0.51 0.00 0.11 0.00 0.00 66.00 65.57 1th3 h PRO 367 Cb 0.00 -0.08 -0.30 0.00 0.11 0.00 0.00 31.00 30.73 1th3 h PRO 367 CO 0.00 0.23 0.65 0.09 -0.21 0.00 0.00 178.00 178.77 1th3 n ASN 368 N -5.05 3.90 0.27 -2.05 3.02 -1.26 -4.64 115.26 109.45 1th3 n ASN 368 Ca 0.28 -3.58 0.17 0.00 -0.03 0.00 0.00 54.58 51.42 1th3 n ASN 368 Cb 0.84 -0.84 0.91 0.00 -0.61 0.00 0.00 39.78 40.08 1th3 n ASN 368 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1th3 h TYR 369 N 1.02 0.00 0.00 3.10 -0.00 -1.64 -0.53 116.97 118.91 1th3 h TYR 369 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.35 1th3 h TYR 369 Cb 2.75 0.00 0.00 0.00 0.00 0.00 0.00 36.73 39.48 1th3 h TYR 369 CO 1.56 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 181.00 1th3 n LEU 370 N -2.73 0.00 -0.02 0.10 4.77 -1.26 -2.36 117.00 115.50 1th3 n LEU 370 Ca -0.02 0.18 0.10 0.00 -0.03 0.00 0.00 56.01 56.24 1th3 n LEU 370 Cb 0.12 -0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 40.94 1th3 n LEU 370 CO 0.15 -0.05 -0.01 0.00 -1.33 0.00 0.00 177.39 176.15 1th3 n GLN 371 N -1.18 0.05 -1.87 3.23 6.02 -0.21 -3.33 117.38 120.09 1th3 n GLN 371 Ca 0.13 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.66 1th3 n GLN 371 Cb 0.14 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.88 1th3 n GLN 371 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1th3 s ILE 372 N -2.98 2.38 0.14 5.09 1.01 -0.99 -4.72 121.20 121.12 1th3 s ILE 372 Ca 0.09 0.29 -0.27 0.00 0.00 0.00 0.00 60.65 60.76 1th3 s ILE 372 Cb 0.16 -3.19 -0.06 0.00 0.01 0.00 0.00 42.46 39.39 1th3 s ILE 372 CO 0.85 0.03 1.37 -2.65 0.00 0.00 0.00 174.94 174.54 1th3 n PRO 373 N 3.19 -0.38 -0.13 2.79 -0.02 -1.26 -0.85 135.00 138.34 1th3 n PRO 373 Ca 0.11 1.34 0.14 0.00 -2.02 0.00 0.00 63.50 63.08 1th3 n PRO 373 Cb 0.38 -1.97 0.50 0.00 -0.02 0.00 0.00 33.50 32.39 1th3 n PRO 373 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1th3 h VAL 374 N 0.00 0.83 0.00 -1.45 3.04 -1.90 -2.02 116.25 114.76 1th3 h VAL 374 Ca 0.14 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1th3 h VAL 374 Cb 0.36 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.02 1th3 h VAL 374 CO -0.82 0.07 -0.78 0.59 -1.01 0.00 0.00 177.57 175.63 1th3 n ASN 375 N -4.47 0.70 -4.77 3.17 3.02 -0.09 -4.94 115.26 107.89 1th3 n ASN 375 Ca 0.13 0.07 -0.41 0.00 -0.03 0.00 0.00 54.58 54.34 1th3 n ASN 375 Cb 0.47 0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.97 1th3 n ASN 375 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1th3 n PRO 377 N 0.88 3.35 0.00 0.00 -0.04 -1.26 -4.76 135.00 133.17 1th3 n PRO 377 Ca -0.00 -3.46 0.07 0.00 -0.04 0.00 0.00 63.50 60.07 1th3 n PRO 377 Cb 0.42 -3.12 0.41 0.00 -0.04 0.00 0.00 33.50 31.18 1th3 n PRO 377 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1th3 n TYR 378 N 5.56 0.00 0.12 0.54 0.18 -1.26 -2.02 117.16 120.28 1th3 n TYR 378 Ca 0.42 0.00 0.08 0.00 1.88 0.00 0.00 57.90 60.29 1th3 n TYR 378 Cb 0.40 0.00 0.17 0.00 -0.38 0.00 0.00 39.34 39.53 1th3 n TYR 378 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1th3 n ARG 379 N -0.96 2.21 -4.30 -3.48 5.12 -1.26 -4.97 116.66 109.02 1th3 n ARG 379 Ca 0.10 -2.00 -0.16 0.00 -1.93 0.00 0.00 57.85 53.87 1th3 n ARG 379 Cb 0.05 -1.37 -0.10 0.00 -1.16 0.00 0.00 32.46 29.88 1th3 n ARG 379 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1th3 s ALA 380 N -1.16 1.68 -0.42 7.54 0.00 -0.85 -4.10 121.76 124.45 1th3 s ALA 380 Ca 0.29 -1.82 -0.07 0.00 0.00 0.00 0.00 51.96 50.36 1th3 s ALA 380 Cb 0.16 1.13 0.09 0.00 0.00 0.00 0.00 23.12 24.50 1th3 s ALA 380 CO 0.23 -0.49 0.24 0.50 0.00 0.00 0.00 175.76 176.24 1th3 s ARG 381 N -4.02 2.42 -0.34 0.00 3.52 -1.26 -4.93 118.95 114.34 1th3 s ARG 381 Ca 0.38 -1.59 -0.29 0.00 -0.13 0.00 0.00 55.73 54.09 1th3 s ARG 381 Cb 0.07 -3.72 -0.00 0.00 -1.56 0.00 0.00 34.95 29.74 1th3 s ARG 381 CO 0.14 -1.01 1.49 0.08 -0.81 0.00 0.00 175.30 175.19 1th3 s VAL 382 N 1.33 3.84 -0.04 7.11 1.01 -1.26 -4.96 120.40 127.43 1th3 s VAL 382 Ca 0.04 0.90 0.01 0.00 0.00 0.00 0.00 61.98 62.93 1th3 s VAL 382 Cb -0.23 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.16 1th3 s VAL 382 CO -0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 175.10 174.50 1th3 s ALA 383 N 5.41 0.61 0.00 5.51 0.00 -1.26 -5.04 121.76 126.98 1th3 s ALA 383 Ca 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1th3 s ALA 383 Cb -0.18 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1th3 s ALA 383 CO 0.30 -0.03 0.00 0.27 0.00 0.00 0.00 175.76 176.30 1th3 n ASN 384 N 4.07 0.00 -1.55 0.00 0.23 -1.26 -4.97 115.26 111.78 1th3 n ASN 384 Ca -0.25 -0.93 -0.07 0.00 -0.53 0.00 0.00 54.58 52.80 1th3 n ASN 384 Cb 0.51 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.43 1th3 n ASN 384 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1th3 n TYR 385 N 0.00 1.83 -3.43 -2.53 4.02 -1.26 -4.92 117.16 110.87 1th3 n TYR 385 Ca 0.00 -1.47 -0.38 0.00 -0.01 0.00 0.00 57.90 56.04 1th3 n TYR 385 Cb 0.00 -0.62 -0.06 0.00 -0.02 0.00 0.00 39.34 38.64 1th3 n TYR 385 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1th3 s GLN 386 N -3.15 4.03 0.12 -0.72 -0.21 -1.26 -4.87 119.66 113.59 1th3 s GLN 386 Ca 0.49 0.49 -0.08 0.00 0.02 0.00 0.00 55.36 56.29 1th3 s GLN 386 Cb 0.42 -3.25 -0.01 0.00 1.00 0.00 0.00 33.01 31.18 1th3 s GLN 386 CO 0.07 0.63 0.20 1.03 -2.12 0.00 0.00 175.29 175.10 1th3 s ARG 387 N -0.93 0.96 5.22 2.91 1.81 -1.26 -4.89 118.95 122.77 1th3 s ARG 387 Ca 0.25 -1.09 0.00 0.00 -1.72 0.00 0.00 55.73 53.17 1th3 s ARG 387 Cb -0.17 0.34 0.00 0.00 -0.45 0.00 0.00 34.95 34.67 1th3 s ARG 387 CO 0.14 -0.32 0.00 -0.25 -0.68 0.00 0.00 175.30 174.20 1th3 n ASP 388 N -0.11 0.00 0.00 0.23 8.00 -1.26 -5.06 116.55 118.35 1th3 n ASP 388 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1th3 n ASP 388 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1th3 n ASP 388 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1th3 n GLY 389 N 0.00 -0.59 3.75 0.44 0.00 -1.26 -4.76 105.19 102.77 1th3 n GLY 389 Ca 0.00 -1.60 -0.32 0.00 0.00 0.00 0.00 46.02 44.10 1th3 n GLY 389 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1th3 s PRO 390 N -3.25 2.16 -1.39 1.61 0.04 -1.26 -3.65 135.00 129.25 1th3 s PRO 390 Ca 0.00 1.32 -0.02 0.00 0.04 0.00 0.00 61.00 62.34 1th3 s PRO 390 Cb 0.00 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1th3 s PRO 390 CO 0.00 -1.74 0.41 -1.33 0.04 0.00 0.00 177.00 174.39 1th3 n MET 391 N -3.34 -2.96 -2.60 4.56 2.81 -1.26 -4.30 117.12 110.03 1th3 n MET 391 Ca 0.10 0.38 -0.43 0.00 -1.81 0.00 0.00 57.70 55.94 1th3 n MET 391 Cb 0.52 -4.40 -0.02 0.00 -0.71 0.00 0.00 33.22 28.61 1th3 n MET 391 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1th3 n MET 393 N 7.80 1.45 0.00 0.00 2.81 -1.26 -4.92 117.12 123.00 1th3 n MET 393 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 1th3 n MET 393 Cb 0.49 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.00 1th3 n MET 393 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1th3 n MET 394 N -0.73 0.00 -0.27 0.03 2.81 -1.26 -3.42 117.12 114.29 1th3 n MET 394 Ca 0.00 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 55.99 1th3 n MET 394 Cb 0.00 0.00 0.25 0.00 -0.71 0.00 0.00 33.22 32.76 1th3 n MET 394 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1th3 n ASP 395 N -3.28 3.52 -3.67 7.83 4.64 -1.26 -4.94 116.55 119.39 1th3 n ASP 395 Ca 0.00 -1.97 -0.24 0.00 -1.38 0.00 0.00 54.79 51.19 1th3 n ASP 395 Cb 0.00 -0.35 0.06 0.00 -1.04 0.00 0.00 41.12 39.79 1th3 n ASP 395 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1th3 n ASN 396 N 1.32 -4.69 -0.77 1.67 5.15 -1.22 -0.12 115.26 116.61 1th3 n ASN 396 Ca 0.20 -0.65 -0.10 0.00 -0.60 0.00 0.00 54.58 53.43 1th3 n ASN 396 Cb 0.56 -4.63 -0.04 0.00 -0.53 0.00 0.00 39.78 35.14 1th3 n ASN 396 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1th3 n GLN 397 N -4.70 -1.72 0.00 1.20 6.02 -1.26 -4.78 117.38 112.14 1th3 n GLN 397 Ca -0.06 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 1th3 n GLN 397 Cb 0.58 -5.18 0.00 0.00 1.02 0.00 0.00 30.24 26.66 1th3 n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1th3 n GLY 398 N 0.30 2.91 1.65 1.08 0.00 0.83 -2.74 105.19 109.22 1th3 n GLY 398 Ca -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1th3 n GLY 398 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th3 n GLY 399 N 0.00 2.91 3.75 -0.02 0.00 -1.26 -4.97 105.19 105.60 1th3 n GLY 399 Ca 0.00 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 1th3 n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th3 s ALA 400 N -2.39 2.51 0.18 4.61 0.00 -1.11 -4.92 121.76 120.64 1th3 s ALA 400 Ca 0.42 0.94 -0.33 0.00 0.00 0.00 0.00 51.96 52.99 1th3 s ALA 400 Cb 0.33 -3.43 -0.13 0.00 0.00 0.00 0.00 23.12 19.88 1th3 s ALA 400 CO 0.11 -1.20 1.59 -2.30 0.00 0.00 0.00 175.76 173.97 1th3 n PRO 401 N -1.73 2.28 -1.05 0.00 -0.02 -1.26 -4.90 135.00 128.32 1th3 n PRO 401 Ca 0.13 0.82 -0.10 0.00 -2.02 0.00 0.00 63.50 62.33 1th3 n PRO 401 Cb 0.50 -2.59 0.27 0.00 -0.02 0.00 0.00 33.50 31.65 1th3 n PRO 401 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1th3 n ASN 402 N 3.37 4.38 -3.84 2.55 2.04 -1.26 -4.90 115.26 117.60 1th3 n ASN 402 Ca 0.16 -3.36 -0.12 0.00 -0.44 0.00 0.00 54.58 50.82 1th3 n ASN 402 Cb 0.30 -0.76 -0.14 0.00 -2.53 0.00 0.00 39.78 36.66 1th3 n ASN 402 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1th3 s TYR 403 N -3.09 -0.08 -0.06 -2.53 1.13 -1.26 -4.94 117.35 106.52 1th3 s TYR 403 Ca 0.55 0.20 0.04 0.00 -1.41 0.00 0.00 57.07 56.45 1th3 s TYR 403 Cb 0.45 0.00 0.00 0.00 -1.10 0.00 0.00 41.96 41.31 1th3 s TYR 403 CO 0.12 -0.05 -0.18 -0.47 -2.51 0.00 0.00 175.55 172.46 1th3 s TYR 404 N 0.16 1.88 0.72 -3.49 5.04 -1.26 -3.67 117.35 116.74 1th3 s TYR 404 Ca -0.01 -0.63 -0.11 0.00 -2.44 0.00 0.00 57.07 53.88 1th3 s TYR 404 Cb -0.02 -1.28 0.02 0.00 0.35 0.00 0.00 41.96 41.03 1th3 s TYR 404 CO -0.00 -0.25 1.10 -1.25 -1.34 0.00 0.00 175.55 173.81 1th3 s PRO 405 N 0.23 2.76 0.10 4.97 0.04 -1.26 -5.20 135.00 136.63 1th3 s PRO 405 Ca -0.09 0.50 -0.10 0.00 0.04 0.00 0.00 61.00 61.35 1th3 s PRO 405 Cb -0.14 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1th3 s PRO 405 CO 0.04 -1.12 0.23 0.54 0.04 0.00 0.00 177.00 176.73 1th3 s ASN 406 N -4.28 0.07 -0.43 6.66 2.20 -1.24 -5.05 114.94 112.87 1th3 s ASN 406 Ca 0.58 -0.64 0.05 0.00 -0.94 0.00 0.00 52.86 51.91 1th3 s ASN 406 Cb -0.12 0.37 0.61 0.00 -2.00 0.00 0.00 41.25 40.11 1th3 s ASN 406 CO 0.52 -0.76 1.81 -1.20 -2.94 0.00 0.00 177.10 174.53 1th3 n SER 407 N -0.10 3.76 -0.45 3.54 7.64 -1.26 -4.57 113.62 122.18 1th3 n SER 407 Ca -0.14 -3.67 0.07 0.00 1.01 0.00 0.00 58.87 56.14 1th3 n SER 407 Cb 0.63 -0.80 0.19 0.00 -1.01 0.00 0.00 64.21 63.22 1th3 n SER 407 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1th3 n PHE 408 N -1.12 0.03 -1.92 1.43 3.72 -1.26 -5.00 117.46 113.34 1th3 n PHE 408 Ca 0.54 -1.35 -0.14 0.00 -0.05 0.00 0.00 57.45 56.45 1th3 n PHE 408 Cb 1.44 -0.22 -0.03 0.00 -0.94 0.00 0.00 39.48 39.73 1th3 n PHE 408 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1th3 n SER 409 N -1.21 -4.41 -4.42 4.37 7.64 -1.26 -4.91 113.62 109.41 1th3 n SER 409 Ca 0.18 0.13 -0.29 0.00 1.01 0.00 0.00 58.87 59.90 1th3 n SER 409 Cb 0.68 -3.40 0.16 0.00 -1.01 0.00 0.00 64.21 60.64 1th3 n SER 409 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1th3 s ALA 410 N -2.62 2.11 0.47 -0.43 0.00 -1.26 -4.98 121.76 115.05 1th3 s ALA 410 Ca 0.00 -0.91 -0.22 0.00 0.00 0.00 0.00 51.96 50.82 1th3 s ALA 410 Cb 0.00 -2.88 -0.10 0.00 0.00 0.00 0.00 23.12 20.14 1th3 s ALA 410 CO 0.00 -2.32 0.87 -2.30 0.00 0.00 0.00 175.76 172.01 1th3 n PRO 411 N -3.74 1.04 -4.33 0.00 -0.02 -1.26 -5.02 135.00 121.67 1th3 n PRO 411 Ca 0.12 0.38 -0.25 0.00 -2.02 0.00 0.00 63.50 61.73 1th3 n PRO 411 Cb 0.60 -1.94 -0.12 0.00 -0.02 0.00 0.00 33.50 32.02 1th3 n PRO 411 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1th3 s GLU 412 N -2.09 1.24 0.31 -0.52 2.02 -1.26 -5.02 118.70 113.39 1th3 s GLU 412 Ca 0.66 -1.27 -0.28 0.00 0.02 0.00 0.00 54.97 54.10 1th3 s GLU 412 Cb -0.53 -1.52 -0.09 0.00 0.10 0.00 0.00 34.13 32.09 1th3 s GLU 412 CO 0.55 0.35 1.12 -3.38 0.02 0.00 0.00 175.26 173.92 1th3 s HIS 413 N -1.33 3.43 -0.36 1.61 -3.43 -1.26 -5.01 115.29 108.94 1th3 s HIS 413 Ca 0.11 1.65 -0.15 0.00 -0.80 0.00 0.00 55.06 55.87 1th3 s HIS 413 Cb -0.09 -3.32 -0.00 0.00 -1.43 0.00 0.00 32.58 27.74 1th3 s HIS 413 CO 0.05 -0.78 0.32 -1.14 -2.00 0.00 0.00 174.74 171.20 1th3 s GLN 414 N -1.70 3.37 0.65 -0.38 0.74 -1.26 -4.97 119.66 116.11 1th3 s GLN 414 Ca 0.48 -0.65 0.43 0.00 0.05 0.00 0.00 55.36 55.67 1th3 s GLN 414 Cb -0.31 -3.86 2.25 0.00 1.10 0.00 0.00 33.01 32.19 1th3 s GLN 414 CO 0.40 -0.58 2.31 -1.35 -0.55 0.00 0.00 175.29 175.53 1th3 h PRO 415 N 8.54 0.00 -0.13 1.67 0.11 -2.01 -2.18 132.00 138.00 1th3 h PRO 415 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1th3 h PRO 415 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1th3 h PRO 415 CO 0.69 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.35 1th3 n SER 416 N -3.12 0.69 -0.17 -2.05 3.41 -1.26 -3.10 113.62 108.03 1th3 n SER 416 Ca -0.02 -1.97 0.09 0.00 -0.26 0.00 0.00 58.87 56.71 1th3 n SER 416 Cb 0.11 -0.08 0.14 0.00 -0.26 0.00 0.00 64.21 64.11 1th3 n SER 416 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th3 n ALA 417 N -0.14 2.32 -1.81 7.33 0.00 -0.82 -5.01 120.51 122.38 1th3 n ALA 417 Ca 0.05 -2.41 -0.33 0.00 0.00 0.00 0.00 53.44 50.75 1th3 n ALA 417 Cb 0.11 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 1th3 n ALA 417 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1th3 s LEU 418 N -2.66 3.89 0.34 0.00 1.02 -1.18 -4.91 118.68 115.19 1th3 s LEU 418 Ca 0.30 1.77 -0.27 0.00 0.02 0.00 0.00 54.13 55.95 1th3 s LEU 418 Cb 0.26 -4.55 -0.09 0.00 0.02 0.00 0.00 46.19 41.83 1th3 s LEU 418 CO 0.04 -0.52 1.13 -1.61 0.02 0.00 0.00 176.35 175.41 1th3 s GLU 419 N -3.24 4.34 0.12 1.70 8.01 -1.26 -4.97 118.70 123.40 1th3 s GLU 419 Ca 0.64 1.80 -0.31 0.00 0.01 0.00 0.00 54.97 57.11 1th3 s GLU 419 Cb -0.12 -2.90 -0.10 0.00 -4.31 0.00 0.00 34.13 26.71 1th3 s GLU 419 CO 0.16 -0.06 1.68 -1.58 0.01 0.00 0.00 175.26 175.48 1th3 s HIS 420 N -1.33 2.56 -0.13 1.61 5.65 -1.26 -4.94 115.29 117.46 1th3 s HIS 420 Ca 0.51 0.31 -0.27 0.00 0.25 0.00 0.00 55.06 55.87 1th3 s HIS 420 Cb -0.31 -4.03 -0.02 0.00 -1.18 0.00 0.00 32.58 27.05 1th3 s HIS 420 CO 0.39 -4.05 0.88 1.03 -0.65 0.00 0.00 174.74 172.34 1th3 s ARG 421 N 2.13 4.36 0.08 2.88 1.81 -1.26 -5.05 118.95 123.91 1th3 s ARG 421 Ca 0.75 1.14 0.09 0.00 -1.72 0.00 0.00 55.73 55.99 1th3 s ARG 421 Cb -0.43 -3.55 -0.03 0.00 -0.45 0.00 0.00 34.95 30.49 1th3 s ARG 421 CO 0.33 -0.27 -0.25 0.99 -0.68 0.00 0.00 175.30 175.42 1th3 s THR 422 N 1.91 2.03 -0.13 0.02 2.01 -1.26 -5.13 115.64 115.09 1th3 s THR 422 Ca 0.42 -1.51 -0.07 0.00 0.31 0.00 0.00 61.69 60.84 1th3 s THR 422 Cb -0.17 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1th3 s THR 422 CO 0.15 0.17 0.13 -2.28 -0.69 0.00 0.00 174.62 172.11 1th3 s HIS 423 N -0.95 3.54 0.02 4.92 2.46 -1.26 -5.10 115.29 118.92 1th3 s HIS 423 Ca 0.11 0.47 0.01 0.00 0.47 0.00 0.00 55.06 56.11 1th3 s HIS 423 Cb -0.10 -1.97 -0.01 0.00 -0.13 0.00 0.00 32.58 30.37 1th3 s HIS 423 CO 0.04 0.64 -0.03 -0.06 -2.47 0.00 0.00 174.74 172.85 1th3 s PHE 424 N -0.75 0.29 -0.09 3.88 0.40 -1.26 -5.16 117.98 115.29 1th3 s PHE 424 Ca 0.13 -0.32 -0.06 0.00 -0.60 0.00 0.00 56.93 56.09 1th3 s PHE 424 Cb -0.12 -0.19 0.03 0.00 0.51 0.00 0.00 43.02 43.26 1th3 s PHE 424 CO 0.03 -0.09 0.21 0.45 0.70 0.00 0.00 175.22 176.52 1th3 s SER 425 N -0.89 -0.22 0.00 1.36 0.15 -1.26 -5.14 113.70 107.70 1th3 s SER 425 Ca -0.08 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1th3 s SER 425 Cb -0.06 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1th3 s SER 425 CO -0.00 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1th3 n GLY 426 N 3.73 1.00 3.81 9.45 0.00 -1.26 -5.12 105.19 116.80 1th3 n GLY 426 Ca -0.21 -1.12 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 1th3 n GLY 426 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1th3 s ASP 427 N 0.00 6.64 -0.61 1.61 1.01 -1.26 -4.97 116.67 119.09 1th3 s ASP 427 Ca 0.00 1.78 -0.22 0.00 0.71 0.00 0.00 52.55 54.82 1th3 s ASP 427 Cb 0.00 -2.55 0.06 0.00 1.01 0.00 0.00 42.92 41.45 1th3 s ASP 427 CO 0.00 -0.57 0.91 -0.69 0.21 0.00 0.00 175.17 175.03 1th3 s VAL 428 N -2.14 4.42 0.34 -1.27 1.01 -1.26 -4.97 120.40 116.54 1th3 s VAL 428 Ca 0.64 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.30 1th3 s VAL 428 Cb -0.12 -4.60 0.02 0.00 0.00 0.00 0.00 36.38 31.68 1th3 s VAL 428 CO 0.18 -1.28 0.60 0.00 0.00 0.00 0.00 175.10 174.59 1th3 s GLN 429 N 3.82 1.98 -1.33 2.72 -2.07 -1.26 -5.07 119.66 118.44 1th3 s GLN 429 Ca 0.23 -1.55 -0.10 0.00 -1.82 0.00 0.00 55.36 52.12 1th3 s GLN 429 Cb -0.16 0.52 0.13 0.00 -1.09 0.00 0.00 33.01 32.40 1th3 s GLN 429 CO 0.13 -0.86 2.03 0.54 -1.32 0.00 0.00 175.29 175.80 1th3 n ARG 430 N -0.52 3.52 -1.63 9.60 1.74 -1.26 -5.00 116.66 123.11 1th3 n ARG 430 Ca -0.03 -3.27 -0.46 0.00 -0.77 0.00 0.00 57.85 53.32 1th3 n ARG 430 Cb 0.61 -2.98 -0.03 0.00 -1.02 0.00 0.00 32.46 29.04 1th3 n ARG 430 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1th3 n PHE 431 N 4.20 1.80 -3.18 -1.55 3.72 -1.26 -4.93 117.46 116.26 1th3 n PHE 431 Ca 0.45 0.54 -0.43 0.00 -0.05 0.00 0.00 57.45 57.96 1th3 n PHE 431 Cb 0.36 -2.38 -0.07 0.00 -0.94 0.00 0.00 39.48 36.44 1th3 n PHE 431 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1th3 s ASN 432 N 0.15 6.30 -0.05 4.37 2.47 -1.26 -4.92 114.94 122.00 1th3 s ASN 432 Ca 0.70 -0.30 0.17 0.00 0.42 0.00 0.00 52.86 53.84 1th3 s ASN 432 Cb -0.73 -2.29 0.53 0.00 -1.45 0.00 0.00 41.25 37.31 1th3 s ASN 432 CO 0.51 -0.66 1.45 -1.54 -3.72 0.00 0.00 177.10 173.14 1th3 n SER 433 N 6.00 3.80 0.17 -4.21 3.41 -1.26 -4.60 113.62 116.94 1th3 n SER 433 Ca -0.03 -2.23 0.16 0.00 -0.26 0.00 0.00 58.87 56.50 1th3 n SER 433 Cb 0.48 -0.43 0.76 0.00 -0.26 0.00 0.00 64.21 64.76 1th3 n SER 433 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th3 h ALA 434 N 3.16 2.00 -0.36 7.33 0.00 -2.02 -2.57 119.26 126.81 1th3 h ALA 434 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1th3 h ALA 434 Cb 1.07 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1th3 h ALA 434 CO 0.09 -0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.13 1th3 n ASN 435 N -4.11 4.10 -2.53 0.00 3.02 -1.26 -4.78 115.26 109.69 1th3 n ASN 435 Ca 0.02 -2.79 -0.09 0.00 -0.03 0.00 0.00 54.58 51.69 1th3 n ASN 435 Cb 0.32 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 38.92 1th3 n ASN 435 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1th3 n ASP 436 N -0.03 2.87 -2.67 6.41 9.92 -0.97 -4.67 116.55 127.41 1th3 n ASP 436 Ca 0.21 -2.04 -0.05 0.00 -0.53 0.00 0.00 54.79 52.38 1th3 n ASP 436 Cb 0.87 -0.75 -0.04 0.00 -0.64 0.00 0.00 41.12 40.56 1th3 n ASP 436 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1th3 n ASP 437 N 3.23 -1.65 -1.55 -2.24 2.03 -1.26 -4.91 116.55 110.21 1th3 n ASP 437 Ca 0.24 1.31 -0.13 0.00 0.52 0.00 0.00 54.79 56.73 1th3 n ASP 437 Cb 0.33 -4.84 0.16 0.00 -0.72 0.00 0.00 41.12 36.05 1th3 n ASP 437 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1th3 n ASN 438 N 1.75 3.55 0.00 1.67 3.02 -1.26 -4.72 115.26 119.27 1th3 n ASN 438 Ca -0.35 -3.77 0.00 0.00 -0.03 0.00 0.00 54.58 50.42 1th3 n ASN 438 Cb 0.55 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 1th3 n ASN 438 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1th3 n VAL 439 N -1.05 0.00 -0.02 2.41 0.24 -1.26 -4.73 118.33 113.92 1th3 n VAL 439 Ca 0.41 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.71 1th3 n VAL 439 Cb 1.06 -0.08 -0.00 0.00 -1.47 0.00 0.00 33.84 33.34 1th3 n VAL 439 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1th3 n THR 440 N -1.70 -0.03 -0.23 3.34 -1.04 -1.26 -0.17 114.28 113.18 1th3 n THR 440 Ca 0.00 1.48 0.12 0.00 -2.04 0.00 0.00 64.05 63.61 1th3 n THR 440 Cb 0.00 -1.97 0.40 0.00 -1.82 0.00 0.00 70.33 66.95 1th3 n THR 440 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1th3 h GLN 441 N 0.00 0.62 -0.09 -2.82 4.20 -1.93 -1.12 115.11 113.98 1th3 h GLN 441 Ca 0.01 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1th3 h GLN 441 Cb 0.02 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 1th3 h GLN 441 CO -0.04 0.41 0.06 0.28 -0.67 0.00 0.00 178.83 178.87 1th3 h VAL 442 N 0.64 1.04 -0.80 -0.54 2.07 -1.14 -1.68 116.25 115.85 1th3 h VAL 442 Ca 0.41 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.92 1th3 h VAL 442 Cb 0.68 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 1th3 h VAL 442 CO -0.17 0.04 0.43 -0.09 0.02 0.00 0.00 177.57 177.80 1th3 h ARG 443 N 0.10 0.69 -0.84 1.57 2.43 0.68 -0.22 114.38 118.79 1th3 h ARG 443 Ca 0.03 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1th3 h ARG 443 Cb 0.02 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 1th3 h ARG 443 CO -0.01 0.46 0.47 1.15 -1.51 0.00 0.00 179.97 180.53 1th3 h THR 444 N 0.71 1.24 -0.38 0.20 2.02 -0.89 0.15 112.91 115.97 1th3 h THR 444 Ca 0.40 -0.58 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1th3 h THR 444 Cb 0.41 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 1th3 h THR 444 CO -0.27 0.27 0.11 0.15 0.37 0.00 0.00 175.52 176.15 1th3 h PHE 445 N 1.16 0.61 0.24 3.16 3.57 -0.33 0.15 116.94 125.50 1th3 h PHE 445 Ca 0.30 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1th3 h PHE 445 Cb 0.01 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1th3 h PHE 445 CO 0.00 0.58 -0.11 -0.92 -2.23 0.00 0.00 178.31 175.63 1th3 h TYR 446 N 0.46 -0.30 0.21 0.41 5.03 -0.69 -2.15 116.97 119.94 1th3 h TYR 446 Ca 0.12 -0.01 -0.33 0.00 2.58 0.00 0.00 58.73 61.09 1th3 h TYR 446 Cb 0.27 0.10 0.02 0.00 1.55 0.00 0.00 36.73 38.67 1th3 h TYR 446 CO 0.01 0.01 -1.53 -0.07 -1.32 0.00 0.00 178.16 175.25 1th3 h LEU 447 N -0.60 0.69 0.00 2.82 3.38 -0.74 -3.34 115.31 117.52 1th3 h LEU 447 Ca -0.03 -0.82 -0.39 0.00 0.09 0.00 0.00 57.88 56.73 1th3 h LEU 447 Cb 0.44 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1th3 h LEU 447 CO 0.05 1.66 -2.12 0.29 0.09 0.00 0.00 178.44 178.41 1th3 n LYS 448 N -3.63 0.59 0.04 1.13 4.76 0.46 -4.56 118.16 116.95 1th3 n LYS 448 Ca -0.18 0.36 -0.02 0.00 -2.87 0.00 0.00 58.31 55.60 1th3 n LYS 448 Cb 1.08 -1.58 0.24 0.00 -1.84 0.00 0.00 35.03 32.94 1th3 n LYS 448 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1th3 h VAL 449 N -0.92 1.25 -2.79 -0.18 2.07 -1.29 -3.44 116.25 110.96 1th3 h VAL 449 Ca -0.58 -1.18 -0.58 0.00 0.82 0.00 0.00 66.70 65.18 1th3 h VAL 449 Cb 1.55 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 32.58 1th3 h VAL 449 CO -0.33 0.37 -0.57 -0.76 0.02 0.00 0.00 177.57 176.31 1th3 s LEU 450 N -8.66 3.84 0.44 2.57 1.43 -0.82 -5.05 118.68 112.42 1th3 s LEU 450 Ca -0.06 -0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 1th3 s LEU 450 Cb 0.14 -2.46 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 1th3 s LEU 450 CO 0.78 0.09 0.37 0.54 0.23 0.00 0.00 176.35 178.35 1th3 s ASN 451 N -2.97 4.92 0.13 2.29 2.20 -1.26 -4.70 114.94 115.55 1th3 s ASN 451 Ca 0.31 -0.85 -0.30 0.00 -0.94 0.00 0.00 52.86 51.07 1th3 s ASN 451 Cb -0.11 -0.42 -0.07 0.00 -2.00 0.00 0.00 41.25 38.66 1th3 s ASN 451 CO 0.23 -0.71 1.57 -0.33 -2.94 0.00 0.00 177.10 174.93 1th3 h GLU 452 N 1.03 -0.47 -0.99 3.55 4.39 -1.96 0.15 114.58 120.28 1th3 h GLU 452 Ca -0.41 0.03 0.28 0.00 0.34 0.00 0.00 59.36 59.61 1th3 h GLU 452 Cb 1.27 0.11 -0.18 0.00 -0.10 0.00 0.00 28.75 29.84 1th3 h GLU 452 CO 0.59 -0.31 0.06 1.49 -1.16 0.00 0.00 179.01 179.67 1th3 h GLU 453 N -0.49 0.01 0.30 2.33 4.81 -2.00 -0.84 114.58 118.69 1th3 h GLU 453 Ca 0.07 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1th3 h GLU 453 Cb 0.64 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1th3 h GLU 453 CO -0.44 0.00 -0.14 1.96 -0.73 0.00 0.00 179.01 179.66 1th3 h GLN 454 N 0.01 -0.39 -1.00 1.92 4.20 -1.43 -2.82 115.11 115.59 1th3 h GLN 454 Ca 0.62 0.03 0.23 0.00 0.06 0.00 0.00 58.65 59.59 1th3 h GLN 454 Cb 1.30 0.09 -0.10 0.00 0.30 0.00 0.00 27.48 29.07 1th3 h GLN 454 CO -0.92 -0.07 0.63 0.00 -0.67 0.00 0.00 178.83 177.80 1th3 h ARG 455 N -0.75 0.51 -0.31 1.46 3.08 0.21 0.86 114.38 119.44 1th3 h ARG 455 Ca -0.04 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1th3 h ARG 455 Cb 0.50 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1th3 h ARG 455 CO 0.07 0.34 0.13 -0.22 -1.07 0.00 0.00 179.97 179.22 1th3 h LYS 456 N 0.53 0.46 -0.45 0.04 3.11 -1.13 -1.48 116.57 117.64 1th3 h LYS 456 Ca 0.58 -0.08 -0.14 0.00 -2.81 0.00 0.00 60.65 58.20 1th3 h LYS 456 Cb 1.24 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.38 1th3 h LYS 456 CO -0.33 0.46 -0.25 0.00 -2.81 0.00 0.00 179.45 176.52 1th3 h ARG 457 N 0.36 0.96 0.16 1.90 3.08 -0.80 -2.30 114.38 117.74 1th3 h ARG 457 Ca 0.10 -0.43 0.01 0.00 0.07 0.00 0.00 59.98 59.74 1th3 h ARG 457 Cb 0.16 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1th3 h ARG 457 CO -0.01 1.09 -0.18 1.25 -1.07 0.00 0.00 179.97 181.05 1th3 h LEU 458 N 0.81 -0.48 -1.46 3.04 5.85 -0.70 0.37 115.31 122.74 1th3 h LEU 458 Ca 0.10 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1th3 h LEU 458 Cb 0.83 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1th3 h LEU 458 CO 0.07 -0.27 -0.19 0.00 -0.34 0.00 0.00 178.44 177.71 1th3 h GLU 460 N 0.10 0.67 -0.41 0.00 5.08 -0.96 0.99 114.58 120.05 1th3 h GLU 460 Ca 0.02 -0.34 -0.11 0.00 -1.00 0.00 0.00 59.36 57.93 1th3 h GLU 460 Cb 0.41 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1th3 h GLU 460 CO 0.03 0.95 -0.17 -0.91 -1.00 0.00 0.00 179.01 177.90 1th3 h ASN 461 N 0.41 0.79 0.35 1.42 2.35 0.60 0.75 115.58 122.24 1th3 h ASN 461 Ca 0.05 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 1th3 h ASN 461 Cb 0.82 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1th3 h ASN 461 CO 0.06 0.96 -0.17 0.40 -1.65 0.00 0.00 177.43 177.03 1th3 h ILE 462 N 0.69 0.39 -0.35 2.81 2.04 0.10 -3.19 117.51 120.00 1th3 h ILE 462 Ca 0.11 -0.72 0.10 0.00 1.00 0.00 0.00 64.86 65.34 1th3 h ILE 462 Cb 0.67 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1th3 h ILE 462 CO 0.05 0.09 0.29 0.00 0.00 0.00 0.00 178.15 178.57 1th3 h ALA 463 N -0.73 2.20 -0.73 1.87 0.00 -0.80 -1.66 119.26 119.42 1th3 h ALA 463 Ca -0.05 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1th3 h ALA 463 Cb 0.50 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1th3 h ALA 463 CO 0.08 -0.47 0.41 0.78 0.00 0.00 0.00 179.25 180.06 1th3 h GLY 464 N 0.00 1.09 0.00 0.00 0.00 -0.83 -1.98 103.07 101.36 1th3 h GLY 464 Ca 0.17 -0.28 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 1th3 h GLY 464 CO -0.00 0.16 -0.93 0.84 0.00 0.00 0.00 176.54 176.61 1th3 h HIS 465 N 0.74 0.00 -1.05 5.60 6.17 -1.41 -3.38 115.15 121.81 1th3 h HIS 465 Ca 0.33 0.00 0.28 0.00 0.71 0.00 0.00 60.37 61.69 1th3 h HIS 465 Cb 0.24 0.00 -0.09 0.00 2.52 0.00 0.00 27.41 30.08 1th3 h HIS 465 CO -0.07 1.28 0.69 1.25 0.71 0.00 0.00 177.93 181.79 1th3 h LEU 466 N -1.00 0.39 -1.82 0.26 5.85 -1.35 -0.58 115.31 117.06 1th3 h LEU 466 Ca -0.25 0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.69 1th3 h LEU 466 Cb 1.17 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1th3 h LEU 466 CO -0.15 0.07 0.58 0.07 -0.34 0.00 0.00 178.44 178.67 1th3 h LYS 467 N 0.34 0.00 0.00 1.25 2.10 -1.54 0.14 116.57 118.87 1th3 h LYS 467 Ca 0.59 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 59.19 1th3 h LYS 467 Cb 1.59 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.92 1th3 h LYS 467 CO -0.26 0.00 -0.27 -0.44 -2.00 0.00 0.00 179.45 176.47 1th3 h ASP 468 N 0.00 0.00 -4.31 7.07 3.32 -1.36 -3.46 116.42 117.68 1th3 h ASP 468 Ca 0.24 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.78 1th3 h ASP 468 Cb 1.40 0.00 0.12 0.00 0.22 0.00 0.00 39.33 41.07 1th3 h ASP 468 CO -0.00 0.24 0.33 0.00 -1.72 0.00 0.00 179.24 178.09 1th3 s ALA 469 N -3.09 2.37 0.92 3.45 0.00 0.04 -4.77 121.76 120.67 1th3 s ALA 469 Ca 0.05 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.15 1th3 s ALA 469 Cb 0.06 -3.25 0.09 0.00 0.00 0.00 0.00 23.12 20.02 1th3 s ALA 469 CO 0.71 -1.59 0.80 1.04 0.00 0.00 0.00 175.76 176.71 1th3 n GLN 470 N -3.33 -0.32 -0.23 0.00 6.02 -1.26 -4.72 117.38 113.54 1th3 n GLN 470 Ca 0.09 -0.04 -0.04 0.00 -0.01 0.00 0.00 57.00 57.00 1th3 n GLN 470 Cb 0.53 -2.13 0.06 0.00 1.02 0.00 0.00 30.24 29.72 1th3 n GLN 470 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1th3 h LEU 471 N -1.64 0.69 -1.85 1.08 3.38 -1.95 -2.11 115.31 112.90 1th3 h LEU 471 Ca -0.43 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1th3 h LEU 471 Cb 1.28 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1th3 h LEU 471 CO 0.38 0.48 -0.09 2.19 0.09 0.00 0.00 178.44 181.50 1th3 h PHE 472 N 0.82 0.00 -0.02 1.13 -5.15 -2.01 -1.82 116.94 109.88 1th3 h PHE 472 Ca 0.25 0.00 -0.25 0.00 -0.20 0.00 0.00 57.97 57.77 1th3 h PHE 472 Cb -0.02 0.00 0.02 0.00 0.22 0.00 0.00 35.95 36.17 1th3 h PHE 472 CO -0.04 0.09 -0.98 0.82 -2.00 0.00 0.00 178.31 176.20 1th3 h ILE 473 N 0.00 1.30 -0.84 0.88 2.04 -1.78 -3.07 117.51 116.05 1th3 h ILE 473 Ca -0.00 -2.24 -0.01 0.00 1.00 0.00 0.00 64.86 63.61 1th3 h ILE 473 Cb 0.16 2.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 1th3 h ILE 473 CO 0.01 0.69 0.47 1.56 0.00 0.00 0.00 178.15 180.88 1th3 h GLN 474 N 0.38 1.16 0.19 2.37 4.20 -0.73 -1.53 115.11 121.16 1th3 h GLN 474 Ca -0.11 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 1th3 h GLN 474 Cb 1.62 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 29.16 1th3 h GLN 474 CO 0.19 0.84 -0.23 0.87 -0.67 0.00 0.00 178.83 179.83 1th3 h LYS 475 N 1.17 -0.41 -0.80 1.46 6.56 -1.34 0.45 116.57 123.66 1th3 h LYS 475 Ca 0.30 0.03 0.19 0.00 -1.06 0.00 0.00 60.65 60.11 1th3 h LYS 475 Cb 0.01 0.09 -0.13 0.00 -0.57 0.00 0.00 32.23 31.63 1th3 h LYS 475 CO -0.05 -0.27 0.14 -0.22 -2.06 0.00 0.00 179.45 176.98 1th3 h LYS 476 N -0.43 0.18 0.03 3.15 1.63 -1.43 0.17 116.57 119.87 1th3 h LYS 476 Ca -0.02 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1th3 h LYS 476 Cb 0.38 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1th3 h LYS 476 CO -0.05 0.12 -0.01 0.00 -3.45 0.00 0.00 179.45 176.06 1th3 h ALA 477 N 1.71 -0.04 -0.72 5.00 0.00 -0.99 -1.88 119.26 122.34 1th3 h ALA 477 Ca 0.47 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1th3 h ALA 477 Cb 0.86 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1th3 h ALA 477 CO -0.62 -0.41 0.42 0.28 0.00 0.00 0.00 179.25 178.92 1th3 h VAL 478 N -0.26 1.21 -0.76 0.00 2.07 -0.23 -1.74 116.25 116.55 1th3 h VAL 478 Ca -0.00 -0.49 0.16 0.00 0.82 0.00 0.00 66.70 67.18 1th3 h VAL 478 Cb 0.24 0.23 -0.11 0.00 -1.52 0.00 0.00 31.29 30.13 1th3 h VAL 478 CO 0.01 0.23 0.25 0.50 0.02 0.00 0.00 177.57 178.57 1th3 h LYS 479 N 0.99 0.34 -0.20 1.57 1.63 -0.48 0.73 116.57 121.15 1th3 h LYS 479 Ca 0.26 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.94 1th3 h LYS 479 Cb -0.01 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 1th3 h LYS 479 CO -0.05 0.23 -0.31 -0.91 -3.45 0.00 0.00 179.45 174.96 1th3 h ASN 480 N 0.35 0.42 -0.47 4.20 2.35 -0.51 -2.53 115.58 119.39 1th3 h ASN 480 Ca 0.43 -0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.90 1th3 h ASN 480 Cb 0.72 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1th3 h ASN 480 CO -0.47 0.71 -0.22 -0.26 -1.65 0.00 0.00 177.43 175.54 1th3 h PHE 481 N 0.36 1.14 -0.35 1.19 0.04 -0.18 -2.49 116.94 116.64 1th3 h PHE 481 Ca 0.05 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.53 1th3 h PHE 481 Cb 0.72 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 1th3 h PHE 481 CO 0.02 1.10 0.17 0.77 -0.60 0.00 0.00 178.31 179.77 1th3 h SER 482 N 0.85 0.43 0.18 2.17 0.02 -0.78 0.14 113.55 116.56 1th3 h SER 482 Ca 0.11 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1th3 h SER 482 Cb 0.80 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1th3 h SER 482 CO 0.07 0.36 -0.07 0.44 -1.14 0.00 0.00 176.83 176.49 1th3 h ASP 483 N 0.49 0.00 0.18 3.07 3.32 -1.02 -1.03 116.42 121.42 1th3 h ASP 483 Ca 0.12 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.89 1th3 h ASP 483 Cb 0.05 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.62 1th3 h ASP 483 CO -0.02 0.07 -1.32 0.58 -1.72 0.00 0.00 179.24 176.83 1th3 h VAL 484 N 0.00 1.23 -1.41 -1.35 2.07 -0.97 -3.47 116.25 112.34 1th3 h VAL 484 Ca -0.00 -2.55 0.13 0.00 0.82 0.00 0.00 66.70 65.10 1th3 h VAL 484 Cb 0.18 2.97 -0.25 0.00 -1.52 0.00 0.00 31.29 32.66 1th3 h VAL 484 CO 0.01 0.77 0.28 -2.28 0.02 0.00 0.00 177.57 176.37 1th3 s HIS 485 N -2.52 -0.67 0.28 1.57 2.46 -0.40 -4.63 115.29 111.38 1th3 s HIS 485 Ca -0.14 1.27 0.01 0.00 0.47 0.00 0.00 55.06 56.67 1th3 s HIS 485 Cb 0.03 0.40 0.66 0.00 -0.13 0.00 0.00 32.58 33.55 1th3 s HIS 485 CO 0.85 -0.33 1.67 -1.35 -2.47 0.00 0.00 174.74 173.12 1th3 h PRO 486 N 6.68 0.29 -0.47 2.88 0.11 -1.75 0.39 132.00 140.14 1th3 h PRO 486 Ca -0.24 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.79 1th3 h PRO 486 Cb 1.16 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1th3 h PRO 486 CO 0.15 0.19 0.00 1.49 -0.21 0.00 0.00 178.00 179.63 1th3 h GLU 487 N 0.30 0.77 0.14 1.05 4.22 -1.92 -2.33 114.58 116.80 1th3 h GLU 487 Ca 0.52 -0.20 0.00 0.00 0.08 0.00 0.00 59.36 59.76 1th3 h GLU 487 Cb 1.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1th3 h GLU 487 CO -0.57 0.78 -0.13 -0.92 -2.18 0.00 0.00 179.01 175.99 1th3 h TYR 488 N 0.72 -0.33 -0.40 0.92 5.03 -0.52 -2.09 116.97 120.30 1th3 h TYR 488 Ca 0.14 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.33 1th3 h TYR 488 Cb 0.44 0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 1th3 h TYR 488 CO 0.02 -0.20 -0.24 0.78 -1.32 0.00 0.00 178.16 177.21 1th3 h GLY 489 N -0.29 0.94 0.69 1.82 0.00 -1.36 -3.11 103.07 101.77 1th3 h GLY 489 Ca 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 47.33 46.48 1th3 h GLY 489 CO -0.03 0.79 -0.10 1.48 0.00 0.00 0.00 176.54 178.68 1th3 h SER 490 N 0.68 -0.30 -0.90 0.19 4.64 -1.35 0.31 113.55 116.82 1th3 h SER 490 Ca 0.08 0.05 0.10 0.00 -0.47 0.00 0.00 61.79 61.56 1th3 h SER 490 Cb 0.81 0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.96 1th3 h SER 490 CO 0.07 -0.15 0.54 0.03 -0.87 0.00 0.00 176.83 176.45 1th3 h ARG 491 N -0.16 0.85 -0.43 4.77 3.08 -1.42 0.65 114.38 121.73 1th3 h ARG 491 Ca 0.05 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1th3 h ARG 491 Cb 0.23 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1th3 h ARG 491 CO -0.13 0.57 -0.24 0.82 -1.07 0.00 0.00 179.97 179.91 1th3 h ILE 492 N 0.88 1.27 -0.64 2.04 2.04 -1.38 -2.32 117.51 119.41 1th3 h ILE 492 Ca 0.43 -1.40 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 1th3 h ILE 492 Cb 0.40 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1th3 h ILE 492 CO -0.25 0.47 0.21 -0.61 0.00 0.00 0.00 178.15 177.97 1th3 h GLN 493 N 0.74 0.99 -0.08 2.37 5.75 0.16 0.84 115.11 125.88 1th3 h GLN 493 Ca 0.09 -0.21 0.01 0.00 -0.15 0.00 0.00 58.65 58.39 1th3 h GLN 493 Cb 0.82 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 1th3 h GLN 493 CO 0.07 0.87 -0.00 0.00 -2.65 0.00 0.00 178.83 177.11 1th3 h ALA 494 N 1.08 0.07 -0.87 3.38 0.00 0.29 0.33 119.26 123.55 1th3 h ALA 494 Ca 0.21 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1th3 h ALA 494 Cb 0.28 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1th3 h ALA 494 CO -0.01 -0.47 0.55 -0.07 0.00 0.00 0.00 179.25 179.25 1th3 h LEU 495 N 0.03 0.90 -0.06 0.00 3.38 -1.06 0.01 115.31 118.51 1th3 h LEU 495 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1th3 h LEU 495 Cb 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1th3 h LEU 495 CO -0.06 0.60 0.02 -0.07 0.09 0.00 0.00 178.44 179.02 1th3 h LEU 496 N 1.04 0.08 -0.97 1.67 4.07 -0.22 0.47 115.31 121.45 1th3 h LEU 496 Ca 0.36 -0.17 0.19 0.00 0.08 0.00 0.00 57.88 58.34 1th3 h LEU 496 Cb 0.07 -0.02 -0.11 0.00 1.08 0.00 0.00 40.66 41.69 1th3 h LEU 496 CO -0.14 0.22 0.56 0.44 -1.08 0.00 0.00 178.44 178.45 1th3 h ASP 497 N -0.07 0.70 0.00 -0.43 3.32 0.34 -1.13 116.42 119.15 1th3 h ASP 497 Ca 0.02 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1th3 h ASP 497 Cb 0.17 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1th3 h ASP 497 CO -0.00 0.24 0.00 1.17 -1.72 0.00 0.00 179.24 178.93 1th3 n LYS 498 N -4.81 0.00 -0.10 3.56 4.81 -0.07 -3.78 118.16 117.77 1th3 n LYS 498 Ca 0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.65 1th3 n LYS 498 Cb 0.56 -0.83 -0.01 0.00 0.02 0.00 0.00 35.03 34.77 1th3 n LYS 498 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1th3 n TYR 499 N -0.47 -0.05 -0.27 5.64 4.01 0.09 -0.80 117.16 125.31 1th3 n TYR 499 Ca 0.00 0.30 -0.07 0.00 -0.16 0.00 0.00 57.90 57.97 1th3 n TYR 499 Cb 0.00 -0.55 -0.01 0.00 -0.31 0.00 0.00 39.34 38.46 1th3 n TYR 499 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1th3 n ASN 500 N -4.33 1.72 0.00 7.72 4.13 -0.44 -5.10 115.26 118.95 1th3 n ASN 500 Ca 0.01 -2.02 0.00 0.00 1.68 0.00 0.00 54.58 54.25 1th3 n ASN 500 Cb 0.08 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 37.70 1th3 n ASN 500 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92