#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th3 s ARG 4 N 0.00 1.49 0.82 3.52 0.52 -1.26 -5.16 118.95 118.88 1th3 s ARG 4 Ca 0.00 -1.35 -0.15 0.00 -0.52 0.00 0.00 55.73 53.71 1th3 s ARG 4 Cb 0.00 0.43 -0.02 0.00 0.52 0.00 0.00 34.95 35.88 1th3 s ARG 4 CO 0.00 -0.59 0.41 -0.40 0.02 0.00 0.00 175.30 174.74 1th3 n ASP 5 N -0.40 -1.79 -0.35 0.23 5.75 -1.26 -4.75 116.55 113.99 1th3 n ASP 5 Ca -0.01 0.47 0.04 0.00 -0.01 0.00 0.00 54.79 55.28 1th3 n ASP 5 Cb 0.63 -1.19 0.20 0.00 -1.03 0.00 0.00 41.12 39.73 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 -0.86 1.08 -0.18 0.11 0.11 -1.96 -2.58 132.00 127.71 1th3 h PRO 6 Ca -0.45 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1th3 h PRO 6 Cb 1.32 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1th3 h PRO 6 CO 0.38 0.71 0.06 0.00 -0.21 0.00 0.00 178.00 178.94 1th3 h ALA 7 N 1.48 0.24 -0.73 -0.75 0.00 -1.91 -2.97 119.26 114.62 1th3 h ALA 7 Ca 0.42 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1th3 h ALA 7 Cb 0.21 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1th3 h ALA 7 CO -0.17 -0.14 0.48 0.77 0.00 0.00 0.00 179.25 180.19 1th3 h SER 8 N 0.12 0.72 -0.41 0.00 0.02 -1.82 -2.36 113.55 109.82 1th3 h SER 8 Ca 0.06 -0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.80 1th3 h SER 8 Cb 0.23 -0.16 -0.12 0.00 0.14 0.00 0.00 62.40 62.49 1th3 h SER 8 CO -0.00 0.48 0.26 -0.67 -1.14 0.00 0.00 176.83 175.76 1th3 n ASP 9 N -4.47 3.30 0.28 3.07 4.64 -1.01 -4.56 116.55 117.80 1th3 n ASP 9 Ca 0.10 -2.66 -0.17 0.00 -1.38 0.00 0.00 54.79 50.68 1th3 n ASP 9 Cb 0.17 -0.64 -0.08 0.00 -1.04 0.00 0.00 41.12 39.53 1th3 n ASP 9 CO 0.00 0.00 0.00 -0.61 -0.82 0.00 0.00 177.20 175.77 1th3 h GLN 10 N 0.49 -0.81 -0.26 -0.67 -0.00 -1.45 -1.52 115.11 110.89 1th3 h GLN 10 Ca 0.25 0.06 -0.08 0.00 -0.00 0.00 0.00 58.65 58.88 1th3 h GLN 10 Cb 1.75 0.18 -0.01 0.00 0.00 0.00 0.00 27.48 29.41 1th3 h GLN 10 CO 0.45 -0.54 -0.15 0.52 0.00 0.00 0.00 178.83 179.11 1th3 h MET 11 N -0.84 0.56 -0.72 1.69 2.86 -1.87 -2.05 114.93 114.56 1th3 h MET 11 Ca -0.05 -0.26 0.14 0.00 -2.06 0.00 0.00 59.70 57.48 1th3 h MET 11 Cb 0.72 -0.01 -0.14 0.00 0.06 0.00 0.00 31.60 32.23 1th3 h MET 11 CO -0.01 0.83 -0.23 -0.22 1.06 0.00 0.00 176.91 178.33 1th3 h LYS 12 N 0.28 -0.04 -0.19 1.72 3.64 -1.85 0.03 116.57 120.17 1th3 h LYS 12 Ca 0.05 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.28 1th3 h LYS 12 Cb 0.67 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1th3 h LYS 12 CO 0.04 -0.03 -0.50 0.45 -2.27 0.00 0.00 179.45 177.15 1th3 h HIS 13 N -0.04 0.86 -0.98 1.91 3.86 -1.25 -2.11 115.15 117.39 1th3 h HIS 13 Ca 0.33 -0.34 0.18 0.00 -1.16 0.00 0.00 60.37 59.39 1th3 h HIS 13 Cb 0.55 -0.15 -0.11 0.00 1.06 0.00 0.00 27.41 28.77 1th3 h HIS 13 CO -0.62 1.12 0.58 2.35 0.86 0.00 0.00 177.93 182.22 1th3 h TRP 14 N 0.36 1.02 0.26 2.45 7.01 -0.47 0.11 115.95 126.68 1th3 h TRP 14 Ca -0.01 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1th3 h TRP 14 Cb 1.12 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.88 1th3 h TRP 14 CO 0.09 0.22 -0.12 -0.22 -2.79 0.00 0.00 178.44 175.62 1th3 h LYS 15 N 0.74 -0.34 -0.85 2.65 3.64 -1.00 -2.26 116.57 119.16 1th3 h LYS 15 Ca 0.56 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 60.15 1th3 h LYS 15 Cb 0.86 0.08 -0.16 0.00 -0.41 0.00 0.00 32.23 32.60 1th3 h LYS 15 CO -0.38 -0.01 -0.11 0.93 -2.27 0.00 0.00 179.45 177.60 1th3 h GLU 16 N -0.95 0.03 0.00 1.90 5.08 -0.67 0.54 114.58 120.51 1th3 h GLU 16 Ca -0.04 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1th3 h GLU 16 Cb 0.48 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1th3 h GLU 16 CO 0.06 0.02 -0.60 -0.56 -1.00 0.00 0.00 179.01 176.93 1th3 h GLN 17 N 0.03 0.00 0.00 2.33 3.07 -1.09 -2.95 115.11 116.49 1th3 h GLN 17 Ca 0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.18 1th3 h GLN 17 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.31 1th3 h GLN 17 CO -0.83 0.60 0.00 -2.13 0.09 0.00 0.00 178.83 176.56 1th3 n ARG 18 N -3.56 0.15 -0.46 0.06 0.00 0.17 -4.86 116.66 108.15 1th3 n ARG 18 Ca -0.00 0.23 -0.19 0.00 -0.00 0.00 0.00 57.85 57.89 1th3 n ARG 18 Cb 0.66 -1.71 0.17 0.00 0.00 0.00 0.00 32.46 31.58 1th3 n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1th3 n ALA 19 N -1.68 -1.27 -1.63 5.13 0.00 0.11 -3.21 120.51 117.97 1th3 n ALA 19 Ca 0.05 -1.17 -0.18 0.00 0.00 0.00 0.00 53.44 52.14 1th3 n ALA 19 Cb 0.31 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 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 -4.66 -0.32 -2.89 0.00 0.00 -1.26 -4.93 120.51 106.45 1th3 n ALA 20 Ca 0.07 0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.67 1th3 n ALA 20 Cb 0.38 -1.80 -0.13 0.00 0.00 0.00 0.00 19.45 17.90 1th3 n ALA 20 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1th3 s GLN 21 N -3.70 0.20 0.08 0.00 -0.21 -1.20 -5.14 119.66 109.69 1th3 s GLN 21 Ca 0.00 -0.29 -0.24 0.00 0.02 0.00 0.00 55.36 54.85 1th3 s GLN 21 Cb 0.00 -0.04 -0.06 0.00 1.00 0.00 0.00 33.01 33.91 1th3 s GLN 21 CO 0.00 0.00 0.73 0.21 -2.12 0.00 0.00 175.29 174.11 1th3 s LYS 22 N -0.64 4.47 0.45 2.91 2.36 -1.26 -5.01 119.74 123.01 1th3 s LYS 22 Ca -0.06 1.02 -0.25 0.00 -2.55 0.00 0.00 55.97 54.13 1th3 s LYS 22 Cb -0.04 -3.32 -0.08 0.00 -1.05 0.00 0.00 37.83 33.33 1th3 s LYS 22 CO -0.00 0.41 1.43 -1.25 1.55 0.00 0.00 175.35 177.49 1th3 s PRO 23 N -0.48 3.70 0.82 4.03 0.04 -1.26 -4.95 135.00 136.89 1th3 s PRO 23 Ca 0.36 2.43 -0.13 0.00 0.04 0.00 0.00 61.00 63.70 1th3 s PRO 23 Cb -0.21 -2.67 0.09 0.00 0.04 0.00 0.00 34.50 31.76 1th3 s PRO 23 CO 0.23 -0.81 1.19 -0.51 0.04 0.00 0.00 177.00 177.14 1th3 s ASP 24 N -0.49 3.52 -0.06 6.66 1.01 -1.26 -4.95 116.67 121.11 1th3 s ASP 24 Ca 0.61 2.33 -0.30 0.00 0.71 0.00 0.00 52.55 55.90 1th3 s ASP 24 Cb -0.44 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 40.89 1th3 s ASP 24 CO 0.57 -2.71 0.98 -0.69 0.21 0.00 0.00 175.17 173.53 1th3 s VAL 25 N -2.23 4.83 0.16 -1.27 1.01 -1.26 -4.99 120.40 116.65 1th3 s VAL 25 Ca 0.72 2.03 -0.31 0.00 0.00 0.00 0.00 61.98 64.41 1th3 s VAL 25 Cb -0.28 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.70 1th3 s VAL 25 CO 0.52 0.08 1.61 -0.22 0.00 0.00 0.00 175.10 177.09 1th3 s LEU 26 N 1.51 4.37 0.40 3.92 2.96 -1.26 -4.96 118.68 125.62 1th3 s LEU 26 Ca 0.50 2.64 0.04 0.00 -0.22 0.00 0.00 54.13 57.09 1th3 s LEU 26 Cb -0.20 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.88 1th3 s LEU 26 CO 0.23 -0.86 0.14 0.42 -1.32 0.00 0.00 176.35 174.96 1th3 s THR 27 N 1.37 0.55 0.66 3.68 -4.23 -1.26 -1.40 115.64 115.00 1th3 s THR 27 Ca 0.71 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.21 1th3 s THR 27 Cb -0.44 -2.37 0.08 0.00 1.34 0.00 0.00 72.50 71.10 1th3 s THR 27 CO 0.32 0.00 0.92 0.42 -0.54 0.00 0.00 174.62 175.74 1th3 s THR 28 N -3.25 2.37 0.65 3.99 -4.23 0.44 -4.81 115.64 110.81 1th3 s THR 28 Ca 0.26 -0.53 0.33 0.00 -1.18 0.00 0.00 61.69 60.57 1th3 s THR 28 Cb 0.03 -2.84 0.35 0.00 1.34 0.00 0.00 72.50 71.38 1th3 s THR 28 CO 0.16 0.00 2.06 1.23 -0.54 0.00 0.00 174.62 177.53 1th3 h GLY 29 N -0.34 0.00 -1.44 3.99 0.00 -1.92 0.22 103.07 103.57 1th3 h GLY 29 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1th3 h GLY 29 CO 0.49 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.64 1th3 n GLY 30 N -1.24 0.74 1.24 4.60 0.00 -1.26 -4.96 105.19 104.31 1th3 n GLY 30 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 1.30 0.96 3.71 -0.02 0.00 0.76 -5.04 105.19 106.86 1th3 n GLY 31 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.92 6.95 0.37 1.61 0.02 -1.26 -4.57 114.94 115.14 1th3 s ASN 32 Ca 0.00 2.16 -0.28 0.00 -1.02 0.00 0.00 52.86 53.72 1th3 s ASN 32 Cb 0.00 -2.58 -0.10 0.00 0.02 0.00 0.00 41.25 38.59 1th3 s ASN 32 CO 0.00 -0.57 1.39 -2.16 0.02 0.00 0.00 177.10 175.78 1th3 s PRO 33 N 1.17 4.16 -0.14 -0.60 0.04 -1.26 -0.42 135.00 137.96 1th3 s PRO 33 Ca 0.62 2.38 -0.09 0.00 0.04 0.00 0.00 61.00 63.95 1th3 s PRO 33 Cb -0.33 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1th3 s PRO 33 CO 0.29 -0.41 0.16 0.14 0.04 0.00 0.00 177.00 177.22 1th3 s VAL 34 N -1.15 5.44 0.10 -0.36 -7.23 -0.50 -4.86 120.40 111.84 1th3 s VAL 34 Ca 0.52 0.26 -0.13 0.00 -1.81 0.00 0.00 61.98 60.83 1th3 s VAL 34 Cb -0.43 -3.45 -0.15 0.00 0.56 0.00 0.00 36.38 32.91 1th3 s VAL 34 CO 0.57 0.56 1.31 1.23 -0.31 0.00 0.00 175.10 178.46 1th3 h GLY 35 N 5.50 0.88 -5.46 2.32 0.00 -1.94 -3.45 103.07 100.91 1th3 h GLY 35 Ca -0.50 -1.23 -0.02 0.00 0.00 0.00 0.00 47.33 45.58 1th3 h GLY 35 CO 0.64 1.09 -0.24 -0.35 0.00 0.00 0.00 176.54 177.68 1th3 s ASP 36 N -7.08 -0.68 -0.23 0.19 -1.08 -1.26 -5.04 116.67 101.49 1th3 s ASP 36 Ca -0.10 1.25 0.14 0.00 -0.52 0.00 0.00 52.55 53.32 1th3 s ASP 36 Cb 0.09 1.68 0.56 0.00 -1.46 0.00 0.00 42.92 43.78 1th3 s ASP 36 CO 0.90 -0.22 1.49 1.17 0.52 0.00 0.00 175.17 179.03 1th3 n LYS 37 N 5.24 2.78 -0.00 4.34 4.81 -1.26 -4.49 118.16 129.57 1th3 n LYS 37 Ca -0.12 -2.96 0.01 0.00 -0.87 0.00 0.00 58.31 54.37 1th3 n LYS 37 Cb 0.50 -1.90 -0.02 0.00 0.02 0.00 0.00 35.03 33.64 1th3 n LYS 37 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1th3 n LEU 38 N -0.61 0.07 -3.84 3.14 4.77 -1.26 -4.97 117.00 114.29 1th3 n LEU 38 Ca 0.27 -0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 55.70 1th3 n LEU 38 Cb 1.01 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.93 1th3 n LEU 38 CO 0.21 0.02 -0.41 0.20 -1.33 0.00 0.00 177.39 176.07 1th3 s ASN 39 N -1.69 2.19 1.22 -1.43 0.01 -1.26 -5.14 114.94 108.83 1th3 s ASN 39 Ca 0.00 -0.35 -0.14 0.00 -0.71 0.00 0.00 52.86 51.66 1th3 s ASN 39 Cb 0.02 -0.71 0.31 0.00 0.41 0.00 0.00 41.25 41.28 1th3 s ASN 39 CO 0.11 -0.17 1.01 -0.44 -1.51 0.00 0.00 177.10 176.09 1th3 s SER 40 N 1.79 0.52 -0.31 -1.22 0.01 -1.26 -4.97 113.70 108.26 1th3 s SER 40 Ca 0.04 1.46 -0.13 0.00 1.31 0.00 0.00 55.95 58.63 1th3 s SER 40 Cb -0.13 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.80 1th3 s SER 40 CO -0.07 -4.48 0.29 -0.22 0.41 0.00 0.00 173.24 169.17 1th3 s LEU 41 N -7.38 4.29 0.08 2.44 2.96 -1.26 -5.06 118.68 114.74 1th3 s LEU 41 Ca 0.69 -0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.45 1th3 s LEU 41 Cb -0.25 -2.24 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1th3 s LEU 41 CO 0.65 -0.21 -0.01 0.42 -1.32 0.00 0.00 176.35 175.88 1th3 s THR 42 N 1.88 0.26 -0.48 3.68 -4.23 -1.26 -1.35 115.64 114.15 1th3 s THR 42 Ca 0.10 -1.86 -0.23 0.00 -1.18 0.00 0.00 61.69 58.53 1th3 s THR 42 Cb -0.16 -1.69 0.03 0.00 1.34 0.00 0.00 72.50 72.02 1th3 s THR 42 CO 0.11 -0.84 0.79 0.54 -0.54 0.00 0.00 174.62 174.68 1th3 s VAL 43 N -3.91 4.63 0.00 2.29 0.11 -1.18 -4.82 120.40 117.53 1th3 s VAL 43 Ca 0.12 0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 1th3 s VAL 43 Cb 0.07 -4.36 0.00 0.00 -1.53 0.00 0.00 36.38 30.56 1th3 s VAL 43 CO -0.06 -0.82 0.00 0.61 -3.33 0.00 0.00 175.10 171.50 1th3 n GLY 44 N 5.05 -2.16 0.41 6.54 0.00 -1.26 -3.41 105.19 110.37 1th3 n GLY 44 Ca 0.00 -1.33 0.21 0.00 0.00 0.00 0.00 46.02 44.90 1th3 n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1th3 h PRO 45 N 0.00 0.26 -0.16 1.61 0.11 -2.01 -1.49 132.00 130.31 1th3 h PRO 45 Ca 0.00 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 1th3 h PRO 45 Cb 0.00 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.02 1th3 h PRO 45 CO 0.00 0.17 -0.17 0.54 -0.21 0.00 0.00 178.00 178.33 1th3 n ARG 46 N -4.44 1.82 -2.66 1.05 3.00 -1.26 -5.05 116.66 109.12 1th3 n ARG 46 Ca 0.18 -3.04 -0.21 0.00 -0.01 0.00 0.00 57.85 54.77 1th3 n ARG 46 Cb 0.74 -1.70 0.04 0.00 0.00 0.00 0.00 32.46 31.54 1th3 n ARG 46 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1th3 s GLY 47 N -2.72 1.82 0.76 -0.13 0.00 -0.56 -5.08 107.32 101.40 1th3 s GLY 47 Ca 0.40 -1.32 -0.12 0.00 0.00 0.00 0.00 44.72 43.68 1th3 s GLY 47 CO -0.00 -1.04 1.11 -4.14 0.00 0.00 0.00 173.10 169.03 1th3 s PRO 48 N -4.75 2.24 0.25 2.90 0.02 -1.26 -4.58 135.00 129.83 1th3 s PRO 48 Ca 0.57 1.33 -0.30 0.00 0.02 0.00 0.00 61.00 62.62 1th3 s PRO 48 Cb -0.10 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.44 1th3 s PRO 48 CO 0.38 -1.68 1.07 -1.17 -0.33 0.00 0.00 177.00 175.27 1th3 s LEU 49 N -5.65 4.56 -0.18 -5.54 2.96 -1.26 -3.08 118.68 110.49 1th3 s LEU 49 Ca 0.65 2.17 -0.08 0.00 -0.22 0.00 0.00 54.13 56.65 1th3 s LEU 49 Cb -0.20 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.83 1th3 s LEU 49 CO 0.51 -0.10 0.10 -0.76 -1.32 0.00 0.00 176.35 174.78 1th3 s LEU 50 N -1.18 4.04 0.52 -0.68 1.43 -0.45 -4.95 118.68 117.41 1th3 s LEU 50 Ca 0.45 0.19 0.31 0.00 -1.03 0.00 0.00 54.13 54.06 1th3 s LEU 50 Cb -0.30 -2.02 1.45 0.00 0.03 0.00 0.00 46.19 45.35 1th3 s LEU 50 CO 0.38 0.22 1.85 0.58 0.23 0.00 0.00 176.35 179.61 1th3 h VAL 51 N 4.64 0.51 -0.94 -1.59 2.07 -1.96 0.44 116.25 119.42 1th3 h VAL 51 Ca -0.41 -0.02 0.26 0.00 0.82 0.00 0.00 66.70 67.35 1th3 h VAL 51 Cb 1.17 0.45 -0.17 0.00 -1.52 0.00 0.00 31.29 31.22 1th3 h VAL 51 CO 0.71 0.01 0.09 1.56 0.02 0.00 0.00 177.57 179.95 1th3 h GLN 52 N 0.05 0.06 -5.09 1.57 4.20 -1.93 -3.31 115.11 110.66 1th3 h GLN 52 Ca 0.49 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.19 1th3 h GLN 52 Cb 1.84 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.61 1th3 h GLN 52 CO -0.04 0.04 0.02 -3.47 -0.67 0.00 0.00 178.83 174.71 1th3 n ASP 53 N -5.41 1.27 0.15 1.46 -0.08 0.15 -4.60 116.55 109.50 1th3 n ASP 53 Ca 0.22 -2.42 0.13 0.00 -1.51 0.00 0.00 54.79 51.21 1th3 n ASP 53 Cb 0.74 -1.71 0.32 0.00 2.34 0.00 0.00 41.12 42.81 1th3 n ASP 53 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1th3 h VAL 54 N 6.76 0.00 -0.41 5.18 -1.51 -1.85 -2.71 116.25 121.70 1th3 h VAL 54 Ca 0.00 -0.67 -0.04 0.00 -1.23 0.00 0.00 66.70 64.76 1th3 h VAL 54 Cb 1.00 1.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.81 1th3 h VAL 54 CO 1.00 0.00 0.11 0.58 -1.23 0.00 0.00 177.57 178.03 1th3 h VAL 55 N 0.00 1.23 0.93 7.19 2.07 -1.93 -1.10 116.25 124.63 1th3 h VAL 55 Ca 0.00 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 1th3 h VAL 55 Cb 0.82 0.94 0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1th3 h VAL 55 CO 0.00 0.27 -0.45 0.15 0.02 0.00 0.00 177.57 177.56 1th3 h PHE 56 N 0.53 -1.16 -0.95 1.57 3.57 -1.86 -2.75 116.94 115.88 1th3 h PHE 56 Ca 0.13 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.70 1th3 h PHE 56 Cb 0.29 0.38 -0.08 0.00 2.79 0.00 0.00 35.95 39.34 1th3 h PHE 56 CO 0.02 -0.72 0.59 1.15 -2.23 0.00 0.00 178.31 177.12 1th3 h THR 57 N -1.27 0.96 0.36 4.41 2.02 -1.49 0.40 112.91 118.30 1th3 h THR 57 Ca -0.13 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1th3 h THR 57 Cb 0.96 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1th3 h THR 57 CO 0.21 0.18 -0.41 -0.78 0.37 0.00 0.00 175.52 175.09 1th3 h ASP 58 N 0.98 -1.14 -0.31 4.18 3.58 -1.14 0.35 116.42 122.92 1th3 h ASP 58 Ca 0.45 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.99 1th3 h ASP 58 Cb 0.36 0.39 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 1th3 h ASP 58 CO -0.23 -0.55 0.14 -0.08 -2.88 0.00 0.00 179.24 175.64 1th3 h GLU 59 N -0.81 0.45 -0.12 0.28 4.81 -1.16 -2.83 114.58 115.20 1th3 h GLU 59 Ca -0.03 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1th3 h GLU 59 Cb 0.73 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1th3 h GLU 59 CO -0.10 0.43 0.02 1.98 -0.73 0.00 0.00 179.01 180.62 1th3 h MET 60 N 0.36 0.20 -0.80 1.92 4.05 -0.76 -1.37 114.93 118.53 1th3 h MET 60 Ca 0.11 -0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.54 1th3 h MET 60 Cb 0.14 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 30.85 1th3 h MET 60 CO -0.01 0.40 0.48 0.00 0.23 0.00 0.00 176.91 178.00 1th3 h ALA 61 N 0.80 1.11 -0.44 0.39 0.00 -0.34 0.31 119.26 121.08 1th3 h ALA 61 Ca 0.04 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1th3 h ALA 61 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1th3 h ALA 61 CO 0.00 0.19 -0.15 1.25 0.00 0.00 0.00 179.25 180.54 1th3 h HIS 62 N 0.87 1.00 -0.65 0.00 6.17 -1.38 -2.82 115.15 118.33 1th3 h HIS 62 Ca 0.36 -0.23 -0.04 0.00 0.71 0.00 0.00 60.37 61.17 1th3 h HIS 62 Cb 0.21 -0.24 -0.03 0.00 2.52 0.00 0.00 27.41 29.88 1th3 h HIS 62 CO -0.05 1.00 0.25 0.35 0.71 0.00 0.00 177.93 180.19 1th3 h PHE 63 N 0.71 1.00 0.00 5.26 3.04 -0.62 -1.82 116.94 124.51 1th3 h PHE 63 Ca 0.11 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1th3 h PHE 63 Cb 0.70 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1th3 h PHE 63 CO 0.05 0.79 0.00 -0.25 -2.02 0.00 0.00 178.31 176.89 1th3 n ASP 64 N -4.40 0.00 0.00 0.41 8.00 0.10 -2.33 116.55 118.33 1th3 n ASP 64 Ca 0.04 0.47 0.00 0.00 0.71 0.00 0.00 54.79 56.01 1th3 n ASP 64 Cb 0.18 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.47 1.85 -0.32 -1.24 1.74 -0.71 -4.83 116.66 111.68 1th3 n ARG 65 Ca 0.00 -1.14 0.21 0.00 -0.77 0.00 0.00 57.85 56.15 1th3 n ARG 65 Cb 0.01 -0.90 0.48 0.00 -1.02 0.00 0.00 32.46 31.03 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 0.43 -6.54 5.56 5.08 -1.17 -3.42 114.58 114.52 1th3 h GLU 66 Ca 0.00 -0.03 -0.52 0.00 -1.00 0.00 0.00 59.36 57.81 1th3 h GLU 66 Cb 0.52 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1th3 h GLU 66 CO 0.00 0.29 0.26 1.03 -1.00 0.00 0.00 179.01 179.58 1th3 s ARG 67 N -5.55 4.65 0.27 2.33 1.81 -1.26 -5.07 118.95 116.13 1th3 s ARG 67 Ca -0.09 1.28 0.11 0.00 -1.72 0.00 0.00 55.73 55.32 1th3 s ARG 67 Cb 0.25 -3.31 -0.05 0.00 -0.45 0.00 0.00 34.95 31.39 1th3 s ARG 67 CO 0.80 0.42 -0.19 0.96 -0.68 0.00 0.00 175.30 176.60 1th3 s ILE 68 N -0.66 2.37 0.37 1.52 -4.36 -1.26 -5.10 121.20 114.08 1th3 s ILE 68 Ca 0.40 -2.37 -0.28 0.00 -0.26 0.00 0.00 60.65 58.14 1th3 s ILE 68 Cb -0.23 -2.26 -0.11 0.00 1.25 0.00 0.00 42.46 41.11 1th3 s ILE 68 CO 0.28 -0.42 1.44 -2.84 0.24 0.00 0.00 174.94 173.64 1th3 s PRO 69 N -3.50 4.15 0.73 0.37 0.02 -1.26 -4.99 135.00 130.51 1th3 s PRO 69 Ca 0.29 2.48 -0.11 0.00 0.02 0.00 0.00 61.00 63.68 1th3 s PRO 69 Cb -0.04 -2.98 0.03 0.00 0.02 0.00 0.00 34.50 31.52 1th3 s PRO 69 CO 0.14 -0.46 1.08 -1.83 -0.33 0.00 0.00 177.00 175.59 1th3 s GLU 70 N -2.04 2.70 0.38 5.54 -1.05 -1.26 -4.93 118.70 118.04 1th3 s GLU 70 Ca 0.52 0.67 -0.28 0.00 -0.15 0.00 0.00 54.97 55.73 1th3 s GLU 70 Cb -0.45 -1.99 -0.11 0.00 -0.44 0.00 0.00 34.13 31.15 1th3 s GLU 70 CO 0.61 -1.20 1.47 1.03 0.95 0.00 0.00 175.26 178.12 1th3 s ARG 71 N -5.20 4.06 0.52 -4.83 0.52 -1.26 -4.87 118.95 107.90 1th3 s ARG 71 Ca 0.59 2.54 0.18 0.00 -0.52 0.00 0.00 55.73 58.52 1th3 s ARG 71 Cb -0.13 -2.93 1.32 0.00 0.52 0.00 0.00 34.95 33.73 1th3 s ARG 71 CO 0.54 -0.56 2.14 -0.24 0.02 0.00 0.00 175.30 177.20 1th3 h VAL 72 N 2.89 0.94 -4.03 3.52 3.04 -1.99 -3.38 116.25 117.24 1th3 h VAL 72 Ca -0.51 -0.09 -0.18 0.00 -1.01 0.00 0.00 66.70 64.91 1th3 h VAL 72 Cb 1.24 1.05 -0.19 0.00 -2.01 0.00 0.00 31.29 31.38 1th3 h VAL 72 CO 0.64 0.03 -0.70 0.68 -1.01 0.00 0.00 177.57 177.20 1th3 s VAL 73 N -4.93 0.23 -1.13 1.51 -7.23 -1.26 -4.87 120.40 102.72 1th3 s VAL 73 Ca -0.05 -1.19 -0.06 0.00 -1.81 0.00 0.00 61.98 58.87 1th3 s VAL 73 Cb 0.16 -0.67 0.01 0.00 0.56 0.00 0.00 36.38 36.44 1th3 s VAL 73 CO 0.65 -0.61 0.98 1.41 -0.31 0.00 0.00 175.10 177.22 1th3 n HIS 74 N 1.16 -2.34 0.17 2.82 -0.00 -0.55 -4.95 115.22 111.53 1th3 n HIS 74 Ca -0.21 0.85 -0.14 0.00 -0.00 0.00 0.00 57.72 58.22 1th3 n HIS 74 Cb 0.57 -4.47 -0.08 0.00 -0.00 0.00 0.00 29.99 26.01 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 0.84 -0.41 -1.49 -1.41 0.00 -1.70 -3.41 119.26 111.69 1th3 h ALA 75 Ca -0.49 -0.15 -0.52 0.00 0.00 0.00 0.00 54.91 53.75 1th3 h ALA 75 Cb 1.31 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1th3 h ALA 75 CO 0.46 -0.64 1.22 0.21 0.00 0.00 0.00 179.25 180.50 1th3 s LYS 76 N -5.33 2.95 0.28 0.00 2.36 -1.26 -4.73 119.74 114.01 1th3 s LYS 76 Ca -0.15 0.37 0.03 0.00 -2.55 0.00 0.00 55.97 53.67 1th3 s LYS 76 Cb 0.03 -4.27 -0.01 0.00 -1.05 0.00 0.00 37.83 32.53 1th3 s LYS 76 CO 0.60 -2.37 0.30 0.41 1.55 0.00 0.00 175.35 175.84 1th3 n GLY 77 N 5.51 2.80 3.14 5.54 0.00 -1.26 -2.04 105.19 118.88 1th3 n GLY 77 Ca 0.14 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.91 -0.23 0.06 4.61 0.00 -0.08 -4.96 121.76 118.26 1th3 s ALA 78 Ca 0.29 -0.38 -0.07 0.00 0.00 0.00 0.00 51.96 51.80 1th3 s ALA 78 Cb 0.01 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 1th3 s ALA 78 CO 0.21 -0.33 0.13 0.20 0.00 0.00 0.00 175.76 175.97 1th3 s GLY 79 N -2.03 0.18 0.26 0.00 0.00 -1.26 0.02 107.32 104.48 1th3 s GLY 79 Ca -0.06 -0.68 -0.12 0.00 0.00 0.00 0.00 44.72 43.87 1th3 s GLY 79 CO -0.04 -0.84 0.48 0.00 0.00 0.00 0.00 173.10 172.71 1th3 s ALA 80 N -3.44 -0.13 0.11 3.20 0.00 0.00 -4.41 121.76 117.09 1th3 s ALA 80 Ca 0.02 -0.95 0.08 0.00 0.00 0.00 0.00 51.96 51.11 1th3 s ALA 80 Cb 0.03 1.07 -0.04 0.00 0.00 0.00 0.00 23.12 24.19 1th3 s ALA 80 CO -0.09 -0.85 -0.21 -0.06 0.00 0.00 0.00 175.76 174.56 1th3 s PHE 81 N -3.88 1.82 0.00 0.00 0.40 -0.10 -0.65 117.98 115.57 1th3 s PHE 81 Ca 0.23 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 1th3 s PHE 81 Cb -0.01 -1.00 0.00 0.00 0.51 0.00 0.00 43.02 42.53 1th3 s PHE 81 CO 0.10 0.22 0.00 0.41 0.70 0.00 0.00 175.22 176.65 1th3 n GLY 82 N 1.06 3.27 3.32 4.36 0.00 -0.98 -0.69 105.19 115.52 1th3 n GLY 82 Ca -0.19 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.19 -0.03 -0.08 1.61 -0.85 0.38 -1.81 117.35 116.37 1th3 s TYR 83 Ca 0.00 -0.32 0.01 0.00 -0.52 0.00 0.00 57.07 56.24 1th3 s TYR 83 Cb 0.00 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.47 1th3 s TYR 83 CO 0.00 -0.69 -0.09 0.12 -1.52 0.00 0.00 175.55 173.37 1th3 s PHE 84 N -3.85 2.87 -0.12 -3.49 5.36 0.54 -1.37 117.98 117.93 1th3 s PHE 84 Ca 0.06 -0.17 0.02 0.00 -0.96 0.00 0.00 56.93 55.88 1th3 s PHE 84 Cb 0.02 -1.74 0.01 0.00 -0.34 0.00 0.00 43.02 40.97 1th3 s PHE 84 CO -0.09 0.16 -0.18 -2.00 -1.46 0.00 0.00 175.22 171.65 1th3 s GLU 85 N -0.45 2.51 -0.03 10.12 2.12 -0.26 -1.31 118.70 131.38 1th3 s GLU 85 Ca 0.06 -0.67 -0.30 0.00 0.36 0.00 0.00 54.97 54.43 1th3 s GLU 85 Cb -0.12 -2.09 -0.03 0.00 0.26 0.00 0.00 34.13 32.14 1th3 s GLU 85 CO 0.02 -0.05 1.16 0.08 -0.54 0.00 0.00 175.26 175.94 1th3 s VAL 86 N 0.93 4.32 -0.07 3.70 1.01 -0.82 -1.06 120.40 128.41 1th3 s VAL 86 Ca -0.07 1.64 0.05 0.00 0.00 0.00 0.00 61.98 63.60 1th3 s VAL 86 Cb -0.15 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 1th3 s VAL 86 CO -0.02 0.03 -0.00 0.35 0.00 0.00 0.00 175.10 175.46 1th3 n THR 87 N 4.43 0.49 -4.37 3.92 -2.24 -0.85 0.78 114.28 116.43 1th3 n THR 87 Ca 0.10 -0.27 -0.21 0.00 -2.27 0.00 0.00 64.05 61.40 1th3 n THR 87 Cb 0.47 -0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 67.78 1th3 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1th3 s HIS 88 N -2.17 1.88 -0.42 4.78 3.76 -0.58 -4.87 115.29 117.67 1th3 s HIS 88 Ca -0.06 -0.49 -0.16 0.00 -0.15 0.00 0.00 55.06 54.20 1th3 s HIS 88 Cb 0.02 -0.87 0.02 0.00 1.11 0.00 0.00 32.58 32.86 1th3 s HIS 88 CO 0.27 0.44 0.37 0.34 -0.85 0.00 0.00 174.74 175.31 1th3 s ASP 89 N -3.20 6.15 -0.28 1.40 -1.08 -1.26 -4.85 116.67 113.55 1th3 s ASP 89 Ca 0.23 -0.80 0.08 0.00 -0.52 0.00 0.00 52.55 51.54 1th3 s ASP 89 Cb -0.03 -2.19 0.46 0.00 -1.46 0.00 0.00 42.92 39.69 1th3 s ASP 89 CO 0.09 -0.52 1.19 2.30 0.52 0.00 0.00 175.17 178.75 1th3 n ILE 90 N 5.30 2.46 0.08 4.11 -5.35 -1.26 -4.75 119.36 119.96 1th3 n ILE 90 Ca -0.09 -4.09 0.02 0.00 -0.27 0.00 0.00 62.75 58.32 1th3 n ILE 90 Cb 0.47 -0.99 0.39 0.00 -1.74 0.00 0.00 39.64 37.77 1th3 n ILE 90 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1th3 h THR 91 N 2.17 1.16 0.00 7.28 2.02 -1.88 -1.65 112.91 122.01 1th3 h THR 91 Ca 0.32 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1th3 h THR 91 Cb 1.48 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 1th3 h THR 91 CO 0.67 0.21 0.00 -2.11 0.37 0.00 0.00 175.52 174.66 1th3 n ARG 92 N -4.33 0.65 -0.02 6.66 0.00 -1.26 -3.44 116.66 114.92 1th3 n ARG 92 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 1th3 n ARG 92 Cb 0.21 -1.43 -0.02 0.00 -0.00 0.00 0.00 32.46 31.23 1th3 n ARG 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1th3 n TYR 93 N -0.93 0.00 -4.90 2.89 4.01 -0.68 -4.82 117.16 112.73 1th3 n TYR 93 Ca 0.13 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.61 1th3 n TYR 93 Cb 0.06 -0.15 -0.16 0.00 -0.31 0.00 0.00 39.34 38.79 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 -4.83 2.25 0.00 7.72 0.15 -0.83 -2.58 113.70 115.58 1th3 s SER 94 Ca -0.05 -0.36 0.23 0.00 0.70 0.00 0.00 55.95 56.47 1th3 s SER 94 Cb 0.02 -0.50 0.58 0.00 -1.71 0.00 0.00 66.02 64.41 1th3 s SER 94 CO 0.08 0.19 1.48 2.29 1.20 0.00 0.00 173.24 178.47 1th3 n LYS 95 N 2.95 2.09 -1.58 5.44 2.85 0.24 -4.36 118.16 125.79 1th3 n LYS 95 Ca -0.17 -1.62 -0.46 0.00 -1.05 0.00 0.00 58.31 55.01 1th3 n LYS 95 Cb 0.53 -1.46 -0.04 0.00 -0.65 0.00 0.00 35.03 33.41 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 0.88 1.42 -0.20 0.58 0.00 -1.12 -4.84 120.51 117.22 1th3 n ALA 96 Ca 0.17 -0.07 0.28 0.00 0.00 0.00 0.00 53.44 53.83 1th3 n ALA 96 Cb 0.48 -2.73 0.51 0.00 0.00 0.00 0.00 19.45 17.71 1th3 n ALA 96 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1th3 h LYS 97 N 12.95 0.00 -0.83 0.00 3.64 -1.92 0.44 116.57 130.85 1th3 h LYS 97 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1th3 h LYS 97 Cb 1.27 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.05 1th3 h LYS 97 CO 0.97 0.00 0.52 -0.24 -2.27 0.00 0.00 179.45 178.43 1th3 h VAL 98 N 0.00 1.22 -0.05 2.00 3.04 -1.93 -1.56 116.25 118.97 1th3 h VAL 98 Ca 0.47 -0.45 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1th3 h VAL 98 Cb 2.69 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 32.01 1th3 h VAL 98 CO -0.00 0.22 0.00 0.49 -1.01 0.00 0.00 177.57 177.27 1th3 n PHE 99 N -4.39 0.05 0.00 3.17 3.72 0.15 -4.78 117.46 115.38 1th3 n PHE 99 Ca 0.09 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1th3 n PHE 99 Cb 0.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.66 0.00 -4.57 -1.08 2.13 -0.59 -4.70 120.64 112.49 1th3 n GLU 100 Ca 0.17 0.11 -0.26 0.00 0.66 0.00 0.00 57.16 57.83 1th3 n GLU 100 Cb 0.45 -0.20 -0.11 0.00 0.27 0.00 0.00 31.44 31.85 1th3 n GLU 100 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1th3 s HIS 101 N -1.28 2.37 -0.25 4.31 3.76 -1.26 -4.92 115.29 118.02 1th3 s HIS 101 Ca 0.00 -0.74 -0.29 0.00 -0.15 0.00 0.00 55.06 53.88 1th3 s HIS 101 Cb 0.00 -1.64 0.00 0.00 1.11 0.00 0.00 32.58 32.06 1th3 s HIS 101 CO 0.00 0.34 1.16 0.42 -0.85 0.00 0.00 174.74 175.81 1th3 s ILE 102 N -2.86 4.43 0.00 0.60 -1.09 -1.26 -2.64 121.20 118.38 1th3 s ILE 102 Ca 0.35 1.69 0.00 0.00 -2.23 0.00 0.00 60.65 60.46 1th3 s ILE 102 Cb 0.09 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1th3 s ILE 102 CO 0.17 -0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.19 1th3 n GLY 103 N 3.72 0.70 3.66 6.18 0.00 0.23 -4.98 105.19 114.71 1th3 n GLY 103 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 1th3 n GLY 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1th3 n LYS 104 N -1.08 2.43 -3.72 1.61 0.00 -1.08 -4.59 118.16 111.72 1th3 n LYS 104 Ca 0.00 0.88 -0.36 0.00 0.00 0.00 0.00 58.31 58.83 1th3 n LYS 104 Cb 0.00 -2.83 -0.07 0.00 0.00 0.00 0.00 35.03 32.12 1th3 n LYS 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1th3 s ARG 105 N 4.45 4.07 -0.07 1.64 0.52 -1.26 -1.94 118.95 126.36 1th3 s ARG 105 Ca 0.92 -0.15 -0.00 0.00 -0.52 0.00 0.00 55.73 55.98 1th3 s ARG 105 Cb -0.57 -3.38 0.03 0.00 0.52 0.00 0.00 34.95 31.55 1th3 s ARG 105 CO 0.47 0.38 -0.03 0.99 0.02 0.00 0.00 175.30 177.13 1th3 s THR 106 N 0.11 0.58 0.40 0.02 2.01 -0.43 -4.94 115.64 113.39 1th3 s THR 106 Ca 0.11 -0.04 -0.27 0.00 0.31 0.00 0.00 61.69 61.79 1th3 s THR 106 Cb -0.12 -0.66 -0.10 0.00 0.01 0.00 0.00 72.50 71.63 1th3 s THR 106 CO 0.00 0.28 1.42 -2.84 -0.69 0.00 0.00 174.62 172.79 1th3 s PRO 107 N 1.61 3.99 0.27 4.92 0.02 -1.26 -0.34 135.00 144.21 1th3 s PRO 107 Ca 0.00 2.42 0.02 0.00 0.02 0.00 0.00 61.00 63.46 1th3 s PRO 107 Cb -0.13 -2.85 -0.05 0.00 0.02 0.00 0.00 34.50 31.49 1th3 s PRO 107 CO -0.04 -0.57 0.09 0.96 -0.33 0.00 0.00 177.00 177.10 1th3 s ILE 108 N -1.17 0.70 -0.11 2.83 -4.36 -0.75 -1.76 121.20 116.58 1th3 s ILE 108 Ca 0.55 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.84 1th3 s ILE 108 Cb -0.43 -2.68 0.03 0.00 1.25 0.00 0.00 42.46 40.63 1th3 s ILE 108 CO 0.58 0.00 0.30 0.00 0.24 0.00 0.00 174.94 176.06 1th3 s ALA 109 N -3.65 -0.75 -0.00 2.27 0.00 -0.95 -2.32 121.76 116.37 1th3 s ALA 109 Ca 0.38 0.85 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 1th3 s ALA 109 Cb 0.08 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.70 1th3 s ALA 109 CO 0.14 -0.14 0.02 0.14 0.00 0.00 0.00 175.76 175.92 1th3 s VAL 110 N 0.16 0.05 -0.07 0.00 -7.23 0.18 -1.50 120.40 111.99 1th3 s VAL 110 Ca -0.00 -0.40 0.01 0.00 -1.81 0.00 0.00 61.98 59.77 1th3 s VAL 110 Cb -0.02 -0.17 0.02 0.00 0.56 0.00 0.00 36.38 36.77 1th3 s VAL 110 CO 0.00 -0.22 -0.06 -0.60 -0.31 0.00 0.00 175.10 173.91 1th3 s ARG 111 N -0.66 1.12 0.22 4.82 3.52 -1.15 -0.81 118.95 126.00 1th3 s ARG 111 Ca -0.07 -0.16 0.02 0.00 -0.13 0.00 0.00 55.73 55.38 1th3 s ARG 111 Cb -0.05 -1.15 -0.04 0.00 -1.56 0.00 0.00 34.95 32.16 1th3 s ARG 111 CO -0.00 -0.14 0.38 -0.06 -0.81 0.00 0.00 175.30 174.66 1th3 s PHE 112 N 1.24 3.48 0.16 5.12 0.08 0.10 -2.80 117.98 125.37 1th3 s PHE 112 Ca -0.05 0.19 -0.25 0.00 0.12 0.00 0.00 56.93 56.94 1th3 s PHE 112 Cb -0.14 -1.74 0.06 0.00 -0.57 0.00 0.00 43.02 40.63 1th3 s PHE 112 CO -0.02 0.39 0.93 -1.54 -0.10 0.00 0.00 175.22 174.88 1th3 s SER 113 N -3.53 -0.19 0.03 1.36 1.04 -0.47 -0.90 113.70 111.05 1th3 s SER 113 Ca 0.36 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1th3 s SER 113 Cb -0.10 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1th3 s SER 113 CO 0.30 -0.95 0.00 0.35 0.98 0.00 0.00 173.24 173.92 1th3 n THR 114 N -0.47 0.00 0.00 2.02 -2.24 -0.87 -0.01 114.28 112.72 1th3 n THR 114 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1th3 n THR 114 Cb 0.61 -1.06 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 -0.48 0.00 0.01 2.28 0.31 -1.26 -3.69 118.33 115.50 1th3 n VAL 115 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1th3 n VAL 115 Cb 0.00 -0.16 -0.03 0.00 -0.91 0.00 0.00 33.84 32.74 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 0.56 -0.15 -1.99 3.52 0.00 -1.95 -1.46 119.26 117.79 1th3 h ALA 116 Ca 0.00 0.04 -0.61 0.00 0.00 0.00 0.00 54.91 54.34 1th3 h ALA 116 Cb 0.00 0.36 0.14 0.00 0.00 0.00 0.00 17.79 18.30 1th3 h ALA 116 CO 0.00 -0.65 -0.37 0.41 0.00 0.00 0.00 179.25 178.64 1th3 n GLY 117 N -1.33 -1.42 3.91 0.00 0.00 -1.26 -4.83 105.19 100.26 1th3 n GLY 117 Ca -0.03 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1th3 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1th3 s GLU 118 N -1.55 0.61 0.46 1.61 8.01 -1.26 -3.99 118.70 122.59 1th3 s GLU 118 Ca 0.63 -0.36 0.26 0.00 0.01 0.00 0.00 54.97 55.51 1th3 s GLU 118 Cb -0.62 -1.84 1.31 0.00 -4.31 0.00 0.00 34.13 28.67 1th3 s GLU 118 CO 0.58 -2.44 1.78 0.77 0.01 0.00 0.00 175.26 175.96 1th3 h SER 119 N -1.66 0.25 0.43 -0.19 0.02 -1.94 -0.38 113.55 110.07 1th3 h SER 119 Ca -0.45 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1th3 h SER 119 Cb 1.24 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1th3 h SER 119 CO 0.39 0.04 -0.22 0.61 -1.14 0.00 0.00 176.83 176.51 1th3 n GLY 120 N -1.60 -0.98 3.52 -3.77 0.00 -1.26 -4.69 105.19 96.41 1th3 n GLY 120 Ca 0.26 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1th3 n GLY 120 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1th3 s SER 121 N -2.65 1.31 0.13 1.61 1.04 -0.15 -5.02 113.70 109.95 1th3 s SER 121 Ca 0.22 1.59 -0.08 0.00 0.48 0.00 0.00 55.95 58.16 1th3 s SER 121 Cb 0.19 -2.32 -0.06 0.00 0.10 0.00 0.00 66.02 63.93 1th3 s SER 121 CO 0.54 -4.01 0.42 0.00 0.98 0.00 0.00 173.24 171.17 1th3 s ALA 122 N -2.51 3.72 0.20 5.32 0.00 -1.26 -4.85 121.76 122.37 1th3 s ALA 122 Ca 0.68 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 52.14 1th3 s ALA 122 Cb -0.24 -2.26 0.12 0.00 0.00 0.00 0.00 23.12 20.74 1th3 s ALA 122 CO 0.63 0.59 1.74 -0.44 0.00 0.00 0.00 175.76 178.28 1th3 h ASP 123 N 3.24 1.03 -2.47 0.00 3.32 0.24 -3.40 116.42 118.38 1th3 h ASP 123 Ca -0.48 -0.20 -0.75 0.00 0.02 0.00 0.00 57.03 55.62 1th3 h ASP 123 Cb 1.18 -0.27 -0.20 0.00 0.22 0.00 0.00 39.33 40.26 1th3 h ASP 123 CO 0.69 0.95 1.17 0.35 -1.72 0.00 0.00 179.24 180.68 1th3 n THR 124 N -4.30 4.34 -3.92 0.35 -2.24 -1.26 -4.94 114.28 102.31 1th3 n THR 124 Ca 0.05 -4.88 -0.09 0.00 -2.27 0.00 0.00 64.05 56.86 1th3 n THR 124 Cb 0.21 -2.49 -0.09 0.00 -2.10 0.00 0.00 70.33 65.86 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 0.87 0.13 0.09 2.28 -7.23 -1.26 -4.57 120.40 110.71 1th3 s VAL 125 Ca 0.40 -1.11 -0.31 0.00 -1.81 0.00 0.00 61.98 59.15 1th3 s VAL 125 Cb -0.04 -0.97 -0.10 0.00 0.56 0.00 0.00 36.38 35.83 1th3 s VAL 125 CO -0.02 -0.61 1.86 -0.60 -0.31 0.00 0.00 175.10 175.42 1th3 s ARG 126 N -2.79 4.14 0.00 4.82 6.06 -1.26 -4.68 118.95 125.24 1th3 s ARG 126 Ca -0.03 2.58 0.00 0.00 -2.50 0.00 0.00 55.73 55.78 1th3 s ARG 126 Cb -0.00 -3.78 0.00 0.00 0.06 0.00 0.00 34.95 31.23 1th3 s ARG 126 CO -0.05 -0.87 0.00 -3.47 -2.50 0.00 0.00 175.30 168.40 1th3 n ASP 127 N 6.28 0.00 -3.54 -2.12 2.03 -1.23 -5.05 116.55 112.93 1th3 n ASP 127 Ca 0.18 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.19 1th3 n ASP 127 Cb 0.39 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 41.07 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 -1.45 -2.39 -0.08 -0.67 0.02 -1.26 -4.79 135.00 124.36 1th3 s PRO 128 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 61.00 61.07 1th3 s PRO 128 Cb 0.00 -1.45 0.02 0.00 0.02 0.00 0.00 34.50 33.09 1th3 s PRO 128 CO 0.00 -4.50 -0.07 1.03 -0.33 0.00 0.00 177.00 173.12 1th3 s ARG 129 N -5.21 1.32 0.10 5.54 3.00 -1.26 -4.05 118.95 118.39 1th3 s ARG 129 Ca 0.70 -0.22 -0.30 0.00 0.00 0.00 0.00 55.73 55.91 1th3 s ARG 129 Cb -0.12 -1.33 -0.06 0.00 0.00 0.00 0.00 34.95 33.45 1th3 s ARG 129 CO 0.57 -0.17 1.03 0.20 0.00 0.00 0.00 175.30 176.94 1th3 s GLY 130 N 1.35 2.86 -0.50 -3.53 0.00 0.99 0.13 107.32 108.62 1th3 s GLY 130 Ca -0.03 0.67 0.05 0.00 0.00 0.00 0.00 44.72 45.42 1th3 s GLY 130 CO -0.03 1.63 0.47 0.33 0.00 0.00 0.00 173.10 175.50 1th3 n PHE 131 N 3.04 0.71 -3.21 1.90 -0.00 0.78 -1.37 117.46 119.32 1th3 n PHE 131 Ca 0.04 -3.70 -0.39 0.00 -0.00 0.00 0.00 57.45 53.40 1th3 n PHE 131 Cb 0.48 -0.18 -0.06 0.00 -0.00 0.00 0.00 39.48 39.72 1th3 n PHE 131 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1th3 s ALA 132 N -0.90 3.56 -0.09 3.13 0.00 -1.12 -2.80 121.76 123.53 1th3 s ALA 132 Ca 0.33 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.41 1th3 s ALA 132 Cb 0.07 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.49 1th3 s ALA 132 CO -0.15 0.36 -0.15 0.08 0.00 0.00 0.00 175.76 175.91 1th3 s VAL 133 N -1.06 1.41 -0.22 0.00 1.01 -0.67 -2.93 120.40 117.95 1th3 s VAL 133 Ca 0.30 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 1th3 s VAL 133 Cb -0.20 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 1th3 s VAL 133 CO 0.20 0.42 -0.03 -0.75 0.00 0.00 0.00 175.10 174.94 1th3 s LYS 134 N 0.84 3.42 -0.27 2.72 2.20 -0.56 0.57 119.74 128.67 1th3 s LYS 134 Ca -0.10 -0.60 -0.09 0.00 -0.36 0.00 0.00 55.97 54.82 1th3 s LYS 134 Cb -0.15 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 1th3 s LYS 134 CO 0.01 -0.17 0.13 -0.06 -0.36 0.00 0.00 175.35 174.90 1th3 s PHE 135 N 1.43 3.15 -1.21 4.03 0.40 0.16 -2.24 117.98 123.71 1th3 s PHE 135 Ca 0.05 -0.21 -0.14 0.00 -0.60 0.00 0.00 56.93 56.04 1th3 s PHE 135 Cb -0.14 -2.31 0.17 0.00 0.51 0.00 0.00 43.02 41.25 1th3 s PHE 135 CO -0.02 -0.28 1.44 0.71 0.70 0.00 0.00 175.22 177.76 1th3 s TYR 136 N 1.68 3.49 0.58 0.36 2.02 -0.72 -0.27 117.35 124.48 1th3 s TYR 136 Ca 0.07 -2.13 -0.03 0.00 -0.37 0.00 0.00 57.07 54.61 1th3 s TYR 136 Cb -0.16 -4.32 0.02 0.00 -0.40 0.00 0.00 41.96 37.11 1th3 s TYR 136 CO 0.07 -1.40 0.85 0.95 -1.57 0.00 0.00 175.55 174.45 1th3 s THR 137 N 1.62 3.14 -0.55 -0.71 -4.23 -1.09 -4.50 115.64 109.32 1th3 s THR 137 Ca 0.43 -0.34 0.22 0.00 -1.18 0.00 0.00 61.69 60.82 1th3 s THR 137 Cb -0.03 -3.23 0.22 0.00 1.34 0.00 0.00 72.50 70.80 1th3 s THR 137 CO 0.00 -0.21 1.66 -0.62 -0.54 0.00 0.00 174.62 174.91 1th3 n GLU 138 N -2.50 0.16 -0.94 3.99 1.02 -1.25 -1.59 120.64 119.52 1th3 n GLU 138 Ca 0.06 0.41 -0.09 0.00 -0.02 0.00 0.00 57.16 57.52 1th3 n GLU 138 Cb 0.59 -1.81 0.23 0.00 -0.02 0.00 0.00 31.44 30.43 1th3 n GLU 138 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1th3 n ASP 139 N -2.12 3.71 0.00 1.62 8.00 -1.26 -4.68 116.55 121.82 1th3 n ASP 139 Ca 0.02 -3.47 0.00 0.00 0.71 0.00 0.00 54.79 52.05 1th3 n ASP 139 Cb 0.21 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 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 -0.77 0.44 3.78 0.44 0.00 -0.62 -4.63 105.19 103.83 1th3 n GLY 140 Ca 0.42 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.21 5.58 -0.10 1.61 0.01 -1.26 -2.68 114.94 116.89 1th3 s ASN 141 Ca 0.00 2.01 0.00 0.00 -0.71 0.00 0.00 52.86 54.16 1th3 s ASN 141 Cb 0.00 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 39.12 1th3 s ASN 141 CO 0.00 -1.31 -0.09 0.86 -1.51 0.00 0.00 177.10 175.05 1th3 s TRP 142 N -2.14 1.52 -0.22 2.20 -0.00 0.62 -4.29 118.94 116.63 1th3 s TRP 142 Ca 0.68 -0.73 -0.05 0.00 -0.00 0.00 0.00 56.10 56.01 1th3 s TRP 142 Cb -0.20 -1.22 -0.01 0.00 -0.00 0.00 0.00 33.47 32.04 1th3 s TRP 142 CO 0.33 -0.47 -0.02 -0.51 -0.00 0.00 0.00 176.95 176.29 1th3 s ASP 143 N 1.45 4.51 -0.96 5.86 1.01 -0.77 0.38 116.67 128.15 1th3 s ASP 143 Ca 0.00 -0.34 -0.06 0.00 0.71 0.00 0.00 52.55 52.87 1th3 s ASP 143 Cb -0.13 -1.78 0.24 0.00 1.01 0.00 0.00 42.92 42.26 1th3 s ASP 143 CO -0.06 -0.02 0.90 -0.22 0.21 0.00 0.00 175.17 175.99 1th3 s LEU 144 N 1.46 5.97 -1.16 1.23 2.96 0.19 -4.37 118.68 124.97 1th3 s LEU 144 Ca 0.05 -3.53 -0.21 0.00 -0.22 0.00 0.00 54.13 50.22 1th3 s LEU 144 Cb -0.14 -2.06 -0.06 0.00 0.50 0.00 0.00 46.19 44.43 1th3 s LEU 144 CO -0.01 -0.27 1.90 0.52 -1.32 0.00 0.00 176.35 177.17 1th3 n VAL 145 N 2.69 2.42 -2.50 1.68 0.31 -1.26 -1.67 118.33 120.01 1th3 n VAL 145 Ca 0.21 -2.45 -0.17 0.00 -0.01 0.00 0.00 64.34 61.92 1th3 n VAL 145 Cb 0.39 -2.25 0.09 0.00 -0.91 0.00 0.00 33.84 31.16 1th3 n VAL 145 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1th3 n GLY 146 N 5.44 0.63 3.31 2.92 0.00 -1.12 -4.88 105.19 111.49 1th3 n GLY 146 Ca 0.47 -2.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.32 1th3 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1th3 s ASN 147 N -4.00 1.18 -0.15 1.61 6.03 -1.05 -0.15 114.94 118.41 1th3 s ASN 147 Ca 0.49 -1.43 0.03 0.00 -1.03 0.00 0.00 52.86 50.92 1th3 s ASN 147 Cb -0.03 0.24 0.30 0.00 -3.03 0.00 0.00 41.25 38.73 1th3 s ASN 147 CO 0.32 -0.78 1.23 -0.46 -2.03 0.00 0.00 177.10 175.38 1th3 n ASN 148 N -0.56 3.16 -3.76 3.54 6.94 0.34 -0.46 115.26 124.45 1th3 n ASN 148 Ca 0.00 -2.54 -0.13 0.00 -0.02 0.00 0.00 54.58 51.89 1th3 n ASN 148 Cb 0.66 -0.61 -0.09 0.00 -2.36 0.00 0.00 39.78 37.38 1th3 n ASN 148 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1th3 s THR 149 N -1.48 0.05 -2.21 5.53 -1.32 -1.26 -4.79 115.64 110.16 1th3 s THR 149 Ca 0.23 -0.42 0.18 0.00 -1.21 0.00 0.00 61.69 60.47 1th3 s THR 149 Cb 0.18 -0.61 0.42 0.00 -1.51 0.00 0.00 72.50 70.99 1th3 s THR 149 CO 0.05 -0.23 1.47 -0.81 -2.21 0.00 0.00 174.62 172.89 1th3 n PRO 150 N 1.45 1.78 -4.17 7.08 -0.05 -1.26 -4.55 135.00 135.28 1th3 n PRO 150 Ca -0.21 -1.19 -0.11 0.00 -0.05 0.00 0.00 63.50 61.95 1th3 n PRO 150 Cb 0.56 -1.37 -0.10 0.00 -0.05 0.00 0.00 33.50 32.54 1th3 n PRO 150 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 175.50 176.41 1th3 s ILE 151 N -1.71 0.06 0.04 0.52 -4.36 -1.26 -4.63 121.20 109.86 1th3 s ILE 151 Ca 0.30 -1.95 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 1th3 s ILE 151 Cb 0.16 -2.25 -0.02 0.00 1.25 0.00 0.00 42.46 41.60 1th3 s ILE 151 CO 0.24 -0.26 -0.07 0.12 0.24 0.00 0.00 174.94 175.20 1th3 s PHE 152 N -4.10 0.65 0.55 1.37 5.36 -1.01 -4.95 117.98 115.86 1th3 s PHE 152 Ca 0.31 -0.53 0.38 0.00 -0.96 0.00 0.00 56.93 56.13 1th3 s PHE 152 Cb 0.07 -0.39 1.54 0.00 -0.34 0.00 0.00 43.02 43.90 1th3 s PHE 152 CO 0.06 -0.10 1.74 0.74 -1.46 0.00 0.00 175.22 176.20 1th3 h PHE 153 N 4.42 0.00 -3.78 10.12 0.04 -1.89 -3.37 116.94 122.48 1th3 h PHE 153 Ca -0.36 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.08 1th3 h PHE 153 Cb 1.20 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.21 1th3 h PHE 153 CO 0.64 0.00 -0.63 0.96 -0.60 0.00 0.00 178.31 178.69 1th3 s ILE 154 N -4.87 0.58 -0.14 -0.55 -4.36 -1.26 -2.49 121.20 108.11 1th3 s ILE 154 Ca -0.05 -2.00 0.19 0.00 -0.26 0.00 0.00 60.65 58.53 1th3 s ILE 154 Cb 0.22 -2.53 0.44 0.00 1.25 0.00 0.00 42.46 41.85 1th3 s ILE 154 CO 0.78 -0.10 1.18 -2.11 0.24 0.00 0.00 174.94 174.93 1th3 n ARG 155 N -0.42 1.18 -3.53 0.37 1.85 -1.26 -4.60 116.66 110.25 1th3 n ARG 155 Ca -0.01 -2.89 -0.01 0.00 -1.00 0.00 0.00 57.85 53.93 1th3 n ARG 155 Cb 0.66 -1.02 -0.04 0.00 -1.05 0.00 0.00 32.46 31.00 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 -2.85 -1.02 0.33 2.89 -1.08 -1.26 -4.29 116.67 109.39 1th3 s ASP 156 Ca 0.36 1.30 0.10 0.00 -0.52 0.00 0.00 52.55 53.79 1th3 s ASP 156 Cb 0.38 2.10 0.98 0.00 -1.46 0.00 0.00 42.92 44.92 1th3 s ASP 156 CO -0.09 -0.23 1.59 0.00 0.52 0.00 0.00 175.17 176.95 1th3 h ALA 157 N 8.03 1.60 -0.57 3.66 0.00 -1.84 0.13 119.26 130.27 1th3 h ALA 157 Ca -0.19 0.29 0.16 0.00 0.00 0.00 0.00 54.91 55.17 1th3 h ALA 157 Cb 1.12 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1th3 h ALA 157 CO 0.14 -0.69 0.60 -0.07 0.00 0.00 0.00 179.25 179.23 1th3 h LEU 158 N 0.06 0.00 0.00 0.00 3.38 -1.96 0.15 115.31 116.93 1th3 h LEU 158 Ca 0.69 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.66 1th3 h LEU 158 Cb 1.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1th3 h LEU 158 CO -0.81 0.00 -0.47 -0.07 0.09 0.00 0.00 178.44 177.18 1th3 h LEU 159 N 0.00 0.00 0.40 1.67 -0.00 -1.16 -3.40 115.31 112.82 1th3 h LEU 159 Ca 0.27 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 58.09 1th3 h LEU 159 Cb 1.47 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.13 1th3 h LEU 159 CO -0.00 0.02 -0.19 0.15 -0.00 0.00 0.00 178.44 178.42 1th3 h PHE 160 N 0.00 -0.50 -0.95 1.13 3.57 -0.80 0.38 116.94 119.78 1th3 h PHE 160 Ca 0.00 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.64 1th3 h PHE 160 Cb 0.92 0.17 -0.08 0.00 2.79 0.00 0.00 35.95 39.74 1th3 h PHE 160 CO 0.00 -0.26 0.60 -1.00 -2.23 0.00 0.00 178.31 175.42 1th3 h PRO 161 N -0.63 0.73 -0.18 6.41 0.13 -1.77 0.12 132.00 136.81 1th3 h PRO 161 Ca -0.06 -0.04 -0.15 0.00 -0.87 0.00 0.00 66.00 64.88 1th3 h PRO 161 Cb 0.46 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 31.43 1th3 h PRO 161 CO 0.09 0.48 -0.49 0.77 -0.23 0.00 0.00 178.00 178.62 1th3 h SER 162 N 0.75 0.74 0.49 1.44 0.02 -1.75 -2.66 113.55 112.57 1th3 h SER 162 Ca 0.49 -0.58 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1th3 h SER 162 Cb 0.76 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1th3 h SER 162 CO -0.26 1.19 -0.36 0.15 -1.14 0.00 0.00 176.83 176.42 1th3 h PHE 163 N 0.33 -0.96 -1.04 3.45 3.57 0.12 -2.56 116.94 119.84 1th3 h PHE 163 Ca -0.01 -0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.79 1th3 h PHE 163 Cb 1.11 0.36 -0.13 0.00 2.79 0.00 0.00 35.95 40.07 1th3 h PHE 163 CO 0.09 -0.51 0.62 0.82 -2.23 0.00 0.00 178.31 177.10 1th3 h ILE 164 N -0.81 0.39 -0.84 1.41 1.08 -0.90 0.24 117.51 118.07 1th3 h ILE 164 Ca -0.06 -0.13 0.01 0.00 -0.39 0.00 0.00 64.86 64.28 1th3 h ILE 164 Cb 0.66 -0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.34 1th3 h ILE 164 CO 0.03 0.07 0.55 0.45 -0.69 0.00 0.00 178.15 178.56 1th3 h HIS 165 N 0.39 1.07 -0.27 1.37 3.86 -1.09 -2.34 115.15 118.14 1th3 h HIS 165 Ca 0.70 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.95 1th3 h HIS 165 Cb 1.60 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 29.68 1th3 h HIS 165 CO -0.01 0.68 0.09 0.66 0.86 0.00 0.00 177.93 180.22 1th3 h SER 166 N 1.14 0.11 0.72 2.45 4.64 -0.22 -2.13 113.55 120.25 1th3 h SER 166 Ca 0.31 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1th3 h SER 166 Cb -0.11 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1th3 h SER 166 CO -0.06 0.09 0.00 1.56 -0.87 0.00 0.00 176.83 177.55 1th3 h GLN 167 N 0.22 0.00 0.00 4.77 1.08 -1.35 -3.32 115.11 116.51 1th3 h GLN 167 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1th3 h GLN 167 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1th3 h GLN 167 CO -0.12 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.39 1th3 n LYS 168 N -2.49 3.50 -2.98 1.46 4.76 -0.80 -4.86 118.16 116.75 1th3 n LYS 168 Ca 0.01 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.21 1th3 n LYS 168 Cb 0.23 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.42 1th3 n LYS 168 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1th3 s ARG 169 N 2.02 3.30 0.10 1.97 0.52 -1.26 -4.13 118.95 121.47 1th3 s ARG 169 Ca 0.00 -0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 54.67 1th3 s ARG 169 Cb 0.00 -2.52 -0.06 0.00 0.52 0.00 0.00 34.95 32.88 1th3 s ARG 169 CO 0.00 -0.16 1.20 1.21 0.02 0.00 0.00 175.30 177.57 1th3 s ASN 170 N -4.14 7.09 0.57 0.23 3.84 0.34 -4.88 114.94 117.99 1th3 s ASN 170 Ca 0.46 2.08 0.32 0.00 0.21 0.00 0.00 52.86 55.93 1th3 s ASN 170 Cb -0.10 -2.59 1.43 0.00 -0.55 0.00 0.00 41.25 39.45 1th3 s ASN 170 CO 0.40 -0.43 1.79 -0.65 -2.79 0.00 0.00 177.10 175.41 1th3 h PRO 171 N 6.31 0.00 0.00 0.43 0.11 -1.96 0.11 132.00 137.00 1th3 h PRO 171 Ca -0.42 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.56 1th3 h PRO 171 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1th3 h PRO 171 CO 0.79 0.00 -1.45 0.94 -0.21 0.00 0.00 178.00 178.07 1th3 n GLN 172 N -3.87 0.18 0.00 1.05 7.27 -1.26 -4.70 117.38 116.05 1th3 n GLN 172 Ca 0.17 0.06 0.13 0.00 0.07 0.00 0.00 57.00 57.44 1th3 n GLN 172 Cb 1.01 -0.97 0.43 0.00 2.41 0.00 0.00 30.24 33.12 1th3 n GLN 172 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1th3 n THR 173 N -3.06 0.00 -1.38 1.69 -2.24 -1.23 -4.94 114.28 103.13 1th3 n THR 173 Ca -0.15 -0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1th3 n THR 173 Cb 0.63 0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 69.05 1th3 n THR 173 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1th3 n HIS 174 N -0.81 -0.38 -3.72 4.78 -0.00 0.37 -4.88 115.22 110.59 1th3 n HIS 174 Ca 0.12 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.09 1th3 n HIS 174 Cb 0.33 -2.55 -0.04 0.00 -0.12 0.00 0.00 29.99 27.62 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 -3.71 3.44 0.38 0.27 1.43 -1.26 -4.55 118.68 114.68 1th3 s LEU 175 Ca 0.00 -0.67 -0.27 0.00 -1.03 0.00 0.00 54.13 52.16 1th3 s LEU 175 Cb 0.00 -2.06 -0.09 0.00 0.03 0.00 0.00 46.19 44.07 1th3 s LEU 175 CO 0.00 -0.51 1.23 -0.54 0.23 0.00 0.00 176.35 176.76 1th3 s LYS 176 N -4.05 4.13 -0.19 1.70 -0.14 -1.26 -0.50 119.74 119.43 1th3 s LYS 176 Ca 0.44 2.02 -0.02 0.00 -1.36 0.00 0.00 55.97 57.05 1th3 s LYS 176 Cb -0.04 -2.83 0.06 0.00 -1.68 0.00 0.00 37.83 33.34 1th3 s LYS 176 CO 0.27 -0.31 0.00 0.34 -0.76 0.00 0.00 175.35 174.90 1th3 s ASP 177 N -0.85 3.00 0.50 2.83 -1.08 -1.26 -4.88 116.67 114.93 1th3 s ASP 177 Ca 0.54 -0.82 0.33 0.00 -0.52 0.00 0.00 52.55 52.08 1th3 s ASP 177 Cb -0.35 -0.74 1.43 0.00 -1.46 0.00 0.00 42.92 41.80 1th3 s ASP 177 CO 0.45 -0.27 1.97 1.55 0.52 0.00 0.00 175.17 179.39 1th3 h PRO 178 N 8.18 0.00 -0.32 4.34 0.13 -1.92 -1.59 132.00 140.83 1th3 h PRO 178 Ca -0.18 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.83 1th3 h PRO 178 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1th3 h PRO 178 CO 0.35 0.00 -0.30 -0.44 -0.23 0.00 0.00 178.00 177.38 1th3 h ASP 179 N 0.00 0.81 -0.06 1.44 3.32 -1.94 -1.90 116.42 118.09 1th3 h ASP 179 Ca 0.00 -0.47 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 1th3 h ASP 179 Cb 0.40 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1th3 h ASP 179 CO 0.00 1.11 -0.24 0.24 -1.72 0.00 0.00 179.24 178.63 1th3 h MET 180 N 0.53 0.26 -0.02 3.56 2.86 -1.78 -0.30 114.93 120.04 1th3 h MET 180 Ca 0.05 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1th3 h MET 180 Cb 0.87 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.57 1th3 h MET 180 CO 0.08 0.85 -0.03 0.28 1.06 0.00 0.00 176.91 179.14 1th3 h VAL 181 N -0.26 0.00 0.20 -2.22 2.07 -1.29 -2.24 116.25 112.51 1th3 h VAL 181 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1th3 h VAL 181 Cb 0.88 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1th3 h VAL 181 CO 0.05 0.00 -0.09 -0.50 0.02 0.00 0.00 177.57 177.05 1th3 h TRP 182 N -0.03 -0.25 -1.00 1.57 4.06 -1.46 -2.26 115.95 116.59 1th3 h TRP 182 Ca 0.00 -0.01 0.21 0.00 2.06 0.00 0.00 58.89 61.16 1th3 h TRP 182 Cb 0.04 0.08 -0.19 0.00 -1.00 0.00 0.00 29.16 28.09 1th3 h TRP 182 CO -0.53 0.00 -0.20 0.22 -3.56 0.00 0.00 178.44 174.37 1th3 h ASP 183 N -0.47 -0.85 0.93 -3.49 3.58 -1.07 1.63 116.42 116.68 1th3 h ASP 183 Ca -0.03 0.30 -0.05 0.00 0.42 0.00 0.00 57.03 57.67 1th3 h ASP 183 Cb 0.36 0.60 0.01 0.00 1.72 0.00 0.00 39.33 42.01 1th3 h ASP 183 CO 0.04 -0.34 -0.45 0.15 -2.88 0.00 0.00 179.24 175.77 1th3 h PHE 184 N 0.00 -1.16 -0.63 0.28 3.57 -1.27 -1.85 116.94 115.88 1th3 h PHE 184 Ca 0.50 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 62.09 1th3 h PHE 184 Cb 0.82 0.38 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 1th3 h PHE 184 CO -0.72 -0.72 0.43 -1.49 -2.23 0.00 0.00 178.31 173.58 1th3 h TRP 185 N -1.27 0.41 0.59 0.41 6.55 0.11 -0.78 115.95 121.98 1th3 h TRP 185 Ca -0.13 0.01 -0.03 0.00 0.95 0.00 0.00 58.89 59.69 1th3 h TRP 185 Cb 0.96 -0.13 0.01 0.00 -0.86 0.00 0.00 29.16 29.13 1th3 h TRP 185 CO -0.01 0.18 -0.29 0.77 -1.05 0.00 0.00 178.44 178.05 1th3 h SER 186 N 0.38 -0.68 0.29 -3.49 0.02 0.24 -2.82 113.55 107.50 1th3 h SER 186 Ca 0.30 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1th3 h SER 186 Cb 0.66 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1th3 h SER 186 CO -0.08 -0.31 0.00 0.18 -1.14 0.00 0.00 176.83 175.48 1th3 n LEU 187 N -5.34 0.00 -3.64 5.07 4.77 -0.72 -3.92 117.00 113.24 1th3 n LEU 187 Ca -0.11 0.45 -0.29 0.00 -0.03 0.00 0.00 56.01 56.03 1th3 n LEU 187 Cb 0.34 -0.45 -0.12 0.00 -2.33 0.00 0.00 43.42 40.86 1th3 n LEU 187 CO 0.30 -0.31 -0.26 -0.13 -1.33 0.00 0.00 177.39 175.66 1th3 s ARG 188 N -2.90 1.15 0.39 3.23 1.81 -0.32 -4.99 118.95 117.32 1th3 s ARG 188 Ca 0.06 -1.93 0.20 0.00 -1.72 0.00 0.00 55.73 52.33 1th3 s ARG 188 Cb 0.06 -2.08 0.72 0.00 -0.45 0.00 0.00 34.95 33.20 1th3 s ARG 188 CO 0.16 -1.20 1.75 -1.00 -0.68 0.00 0.00 175.30 174.33 1th3 h PRO 189 N 6.62 0.00 0.00 3.54 0.13 -1.67 -3.25 132.00 137.37 1th3 h PRO 189 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1th3 h PRO 189 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1th3 h PRO 189 CO 0.44 0.33 0.28 1.05 -0.23 0.00 0.00 178.00 179.87 1th3 h GLU 190 N 0.00 0.00 0.00 0.86 9.09 -1.84 0.57 114.58 123.26 1th3 h GLU 190 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1th3 h GLU 190 Cb 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.98 1th3 h GLU 190 CO 0.04 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.76 1th3 h SER 191 N 0.00 0.00 -1.00 3.06 4.64 -1.52 -3.34 113.55 115.39 1th3 h SER 191 Ca 0.00 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.50 1th3 h SER 191 Cb 0.56 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.48 1th3 h SER 191 CO 0.00 0.00 -0.32 0.18 -0.87 0.00 0.00 176.83 175.82 1th3 n LEU 192 N -3.07 -0.51 -0.07 5.97 4.77 0.20 -0.20 117.00 124.09 1th3 n LEU 192 Ca 0.01 1.73 -0.07 0.00 -0.03 0.00 0.00 56.01 57.65 1th3 n LEU 192 Cb 0.34 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1th3 n LEU 192 CO 0.28 -1.60 0.73 -0.74 -1.33 0.00 0.00 177.39 174.73 1th3 h HIS 193 N 0.00 -0.47 -0.14 -1.77 2.76 -1.80 -1.53 115.15 112.19 1th3 h HIS 193 Ca 0.41 0.04 -0.20 0.00 -2.20 0.00 0.00 60.37 58.41 1th3 h HIS 193 Cb 0.66 0.25 0.01 0.00 1.55 0.00 0.00 27.41 29.88 1th3 h HIS 193 CO -0.82 -0.26 -0.70 0.37 -1.30 0.00 0.00 177.93 175.21 1th3 h GLN 194 N -0.16 0.73 -0.95 5.26 -0.00 -1.44 -2.80 115.11 115.74 1th3 h GLN 194 Ca 0.16 -0.59 0.08 0.00 -0.00 0.00 0.00 58.65 58.30 1th3 h GLN 194 Cb 0.39 0.12 -0.07 0.00 0.00 0.00 0.00 27.48 27.93 1th3 h GLN 194 CO -0.39 1.20 0.61 0.28 0.00 0.00 0.00 178.83 180.54 1th3 h VAL 195 N 0.43 1.02 0.30 2.39 2.07 -0.37 0.89 116.25 122.99 1th3 h VAL 195 Ca -0.05 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1th3 h VAL 195 Cb 1.34 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1th3 h VAL 195 CO 0.15 0.19 -0.15 0.28 0.02 0.00 0.00 177.57 178.06 1th3 h SER 196 N 1.04 -0.35 -0.34 0.57 0.02 -1.30 -0.61 113.55 112.59 1th3 h SER 196 Ca 0.43 -0.14 0.06 0.00 -0.84 0.00 0.00 61.79 61.30 1th3 h SER 196 Cb 0.29 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 1th3 h SER 196 CO -0.18 -0.05 -0.00 0.15 -1.14 0.00 0.00 176.83 175.60 1th3 h PHE 197 N -0.66 -0.03 0.27 3.45 3.04 -1.09 -1.01 116.94 120.91 1th3 h PHE 197 Ca -0.04 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1th3 h PHE 197 Cb 0.46 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.02 1th3 h PHE 197 CO 0.01 -0.06 -0.33 1.25 -2.02 0.00 0.00 178.31 177.15 1th3 h LEU 198 N 0.09 -0.94 0.00 0.59 5.85 0.92 -1.27 115.31 120.56 1th3 h LEU 198 Ca 0.16 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1th3 h LEU 198 Cb 0.23 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1th3 h LEU 198 CO -0.28 -0.42 0.00 0.49 -0.34 0.00 0.00 178.44 177.89 1th3 n PHE 199 N -4.39 0.00 -0.51 1.25 3.01 -0.25 -3.00 117.46 113.57 1th3 n PHE 199 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1th3 n PHE 199 Cb 0.29 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 1th3 n PHE 199 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1th3 n SER 200 N -1.11 -0.77 0.02 4.37 2.88 -0.40 -4.50 113.62 114.11 1th3 n SER 200 Ca 0.03 -0.51 -0.06 0.00 -1.33 0.00 0.00 58.87 56.99 1th3 n SER 200 Cb 0.02 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.62 1th3 n SER 200 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1th3 h ASP 201 N -0.77 0.50 0.06 -3.46 5.19 -1.82 -2.96 116.42 113.16 1th3 h ASP 201 Ca 0.00 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1th3 h ASP 201 Cb 0.00 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.37 1th3 h ASP 201 CO 0.00 0.86 0.00 0.54 -3.12 0.00 0.00 179.24 177.52 1th3 n ARG 202 N -4.02 0.13 -0.29 3.56 5.12 -1.26 -3.12 116.66 116.77 1th3 n ARG 202 Ca -0.02 0.60 0.29 0.00 -1.93 0.00 0.00 57.85 56.80 1th3 n ARG 202 Cb 0.51 -1.90 0.66 0.00 -1.16 0.00 0.00 32.46 30.57 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 0.20 0.44 -6.73 -0.13 0.00 -1.42 -3.19 103.07 92.24 1th3 h GLY 203 Ca 0.00 -0.08 -0.61 0.00 0.00 0.00 0.00 47.33 46.65 1th3 h GLY 203 CO 0.00 -0.05 -0.77 -0.42 0.00 0.00 0.00 176.54 175.30 1th3 s ILE 204 N -5.15 1.61 1.07 2.60 1.01 -1.18 -3.47 121.20 117.69 1th3 s ILE 204 Ca -0.06 -3.45 -0.12 0.00 0.00 0.00 0.00 60.65 57.02 1th3 s ILE 204 Cb 0.23 -2.07 0.23 0.00 0.01 0.00 0.00 42.46 40.86 1th3 s ILE 204 CO 0.80 -1.12 1.07 -2.84 0.00 0.00 0.00 174.94 172.85 1th3 s PRO 205 N -0.68 -0.20 0.00 2.79 0.02 -1.21 0.29 135.00 136.01 1th3 s PRO 205 Ca 0.29 1.09 0.00 0.00 0.02 0.00 0.00 61.00 62.40 1th3 s PRO 205 Cb -0.01 -1.62 0.00 0.00 0.02 0.00 0.00 34.50 32.89 1th3 s PRO 205 CO -0.18 -3.31 0.00 -0.25 -0.33 0.00 0.00 177.00 172.93 1th3 n ASP 206 N -4.66 0.00 -1.85 2.53 9.92 -0.44 -4.44 116.55 117.61 1th3 n ASP 206 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1th3 n ASP 206 Cb 0.53 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 1th3 n ASP 206 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1th3 n GLY 207 N 2.54 1.10 3.32 0.44 0.00 -1.26 -4.84 105.19 106.49 1th3 n GLY 207 Ca 0.00 -1.67 -0.45 0.00 0.00 0.00 0.00 46.02 43.90 1th3 n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1th3 s HIS 208 N 1.08 4.10 0.00 1.61 3.76 -1.26 -4.73 115.29 119.84 1th3 s HIS 208 Ca 0.00 -2.52 0.00 0.00 -0.15 0.00 0.00 55.06 52.39 1th3 s HIS 208 Cb 0.00 -3.79 0.00 0.00 1.11 0.00 0.00 32.58 29.90 1th3 s HIS 208 CO 0.00 -0.95 0.00 0.54 -0.85 0.00 0.00 174.74 173.48 1th3 n ARG 209 N 3.05 0.00 -2.47 1.40 1.74 -1.26 -4.76 116.66 114.36 1th3 n ARG 209 Ca 0.21 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.25 1th3 n ARG 209 Cb 0.41 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 1th3 n ARG 209 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1th3 n HIS 210 N 0.00 -2.75 0.00 -1.55 -0.00 -1.26 -4.73 115.22 104.93 1th3 n HIS 210 Ca 0.00 1.15 0.00 0.00 -0.00 0.00 0.00 57.72 58.87 1th3 n HIS 210 Cb 0.00 -3.41 0.00 0.00 -0.00 0.00 0.00 29.99 26.58 1th3 n HIS 210 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1th3 n MET 211 N -0.02 0.00 -3.39 -1.40 0.00 -1.26 -3.91 117.12 107.14 1th3 n MET 211 Ca 0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 57.70 57.54 1th3 n MET 211 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 33.22 33.43 1th3 n MET 211 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1th3 s ASP 212 N 0.00 6.06 -0.01 6.12 1.01 -1.26 -4.13 116.67 124.47 1th3 s ASP 212 Ca 0.00 0.15 0.05 0.00 0.71 0.00 0.00 52.55 53.46 1th3 s ASP 212 Cb 0.00 -1.62 -0.01 0.00 1.01 0.00 0.00 42.92 42.30 1th3 s ASP 212 CO 0.00 -0.42 -0.15 -0.83 0.21 0.00 0.00 175.17 173.98 1th3 s GLY 213 N -4.12 0.75 -0.04 0.21 0.00 -0.75 -4.21 107.32 99.15 1th3 s GLY 213 Ca 0.43 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.50 1th3 s GLY 213 CO 0.34 -0.57 -0.10 -0.19 0.00 0.00 0.00 173.10 172.59 1th3 s TYR 214 N -0.40 1.10 0.59 1.90 2.02 0.39 -1.70 117.35 121.25 1th3 s TYR 214 Ca 0.06 -0.33 0.34 0.00 -0.37 0.00 0.00 57.07 56.77 1th3 s TYR 214 Cb -0.06 -0.81 1.95 0.00 -0.40 0.00 0.00 41.96 42.64 1th3 s TYR 214 CO -0.00 -0.17 2.27 0.78 -1.57 0.00 0.00 175.55 176.85 1th3 h GLY 215 N 6.69 0.00 0.00 0.71 0.00 -1.68 -2.78 103.07 106.01 1th3 h GLY 215 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1th3 h GLY 215 CO 0.48 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.76 1th3 n SER 216 N -3.61 0.00 -4.64 0.19 2.88 -1.26 -4.75 113.62 102.43 1th3 n SER 216 Ca -0.03 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.22 1th3 n SER 216 Cb 0.10 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 63.74 1th3 n SER 216 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1th3 s HIS 217 N 0.00 1.94 0.14 0.66 3.76 -1.26 -4.82 115.29 115.70 1th3 s HIS 217 Ca 0.00 1.24 -0.13 0.00 -0.15 0.00 0.00 55.06 56.02 1th3 s HIS 217 Cb 0.00 -3.19 -0.07 0.00 1.11 0.00 0.00 32.58 30.44 1th3 s HIS 217 CO 0.00 -2.95 0.52 0.99 -0.85 0.00 0.00 174.74 172.45 1th3 s THR 218 N -2.78 4.92 0.00 1.30 2.01 -1.26 -4.59 115.64 115.23 1th3 s THR 218 Ca 0.65 0.70 0.00 0.00 0.31 0.00 0.00 61.69 63.35 1th3 s THR 218 Cb -0.20 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.61 1th3 s THR 218 CO 0.59 0.21 0.00 0.49 -0.69 0.00 0.00 174.62 175.22 1th3 n PHE 219 N 0.69 0.00 -3.82 4.92 3.01 0.26 -4.11 117.46 118.41 1th3 n PHE 219 Ca -0.05 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.29 1th3 n PHE 219 Cb 0.52 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.87 1th3 n PHE 219 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1th3 s LYS 220 N 1.07 0.21 -0.01 -1.08 2.20 -0.48 -3.16 119.74 118.50 1th3 s LYS 220 Ca 0.00 0.16 0.07 0.00 -0.36 0.00 0.00 55.97 55.84 1th3 s LYS 220 Cb 0.00 0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 36.40 1th3 s LYS 220 CO 0.00 -0.03 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.23 1th3 s LEU 221 N -0.06 2.05 -0.04 5.43 1.43 0.13 -1.30 118.68 126.32 1th3 s LEU 221 Ca -0.01 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1th3 s LEU 221 Cb -0.02 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 45.07 1th3 s LEU 221 CO 0.00 0.27 -0.14 -0.69 0.23 0.00 0.00 176.35 176.02 1th3 s VAL 222 N -0.54 1.19 0.39 -1.59 1.01 0.11 -1.33 120.40 119.65 1th3 s VAL 222 Ca 0.09 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.57 1th3 s VAL 222 Cb -0.09 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1th3 s VAL 222 CO -0.01 0.36 0.52 0.54 0.00 0.00 0.00 175.10 176.51 1th3 s ASN 223 N 0.23 5.70 0.00 3.32 2.20 -1.15 0.79 114.94 126.03 1th3 s ASN 223 Ca -0.06 -0.38 0.00 0.00 -0.94 0.00 0.00 52.86 51.48 1th3 s ASN 223 Cb -0.12 -0.83 0.00 0.00 -2.00 0.00 0.00 41.25 38.30 1th3 s ASN 223 CO 0.02 -0.64 0.19 0.00 -2.94 0.00 0.00 177.10 173.73 1th3 n ALA 224 N -1.75 1.26 -1.62 3.54 0.00 -1.26 -0.85 120.51 119.83 1th3 n ALA 224 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.55 1th3 n ALA 224 Cb 0.59 -0.84 0.11 0.00 0.00 0.00 0.00 19.45 19.31 1th3 n ALA 224 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1th3 n ASP 225 N -0.64 1.50 0.00 0.00 8.00 -1.26 -4.99 116.55 119.15 1th3 n ASP 225 Ca 0.00 -2.95 0.00 0.00 0.71 0.00 0.00 54.79 52.55 1th3 n ASP 225 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 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 -0.77 0.32 3.66 0.44 0.00 -0.03 -4.95 105.19 103.85 1th3 n GLY 226 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.63 4.26 0.14 1.61 2.02 -1.26 -4.83 118.70 120.01 1th3 s GLU 227 Ca 0.00 1.32 0.03 0.00 0.02 0.00 0.00 54.97 56.34 1th3 s GLU 227 Cb 0.00 -3.63 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 1th3 s GLU 227 CO 0.00 -0.60 0.21 0.00 0.02 0.00 0.00 175.26 174.90 1th3 s ALA 228 N 3.08 3.82 0.03 5.21 0.00 -1.26 -2.95 121.76 129.70 1th3 s ALA 228 Ca 0.43 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 1th3 s ALA 228 Cb -0.15 -1.64 0.01 0.00 0.00 0.00 0.00 23.12 21.34 1th3 s ALA 228 CO 0.07 0.59 0.21 0.14 0.00 0.00 0.00 175.76 176.76 1th3 s VAL 229 N -1.68 0.10 0.32 0.00 -7.23 -0.44 -4.70 120.40 106.77 1th3 s VAL 229 Ca 0.33 -0.84 -0.04 0.00 -1.81 0.00 0.00 61.98 59.63 1th3 s VAL 229 Cb -0.11 -0.86 -0.05 0.00 0.56 0.00 0.00 36.38 35.93 1th3 s VAL 229 CO 0.26 -0.46 0.58 -0.31 -0.31 0.00 0.00 175.10 174.86 1th3 s TYR 230 N -2.40 3.49 0.12 2.82 2.02 0.53 0.18 117.35 124.11 1th3 s TYR 230 Ca -0.06 0.58 -0.25 0.00 -0.37 0.00 0.00 57.07 56.98 1th3 s TYR 230 Cb -0.02 -2.07 0.08 0.00 -0.40 0.00 0.00 41.96 39.55 1th3 s TYR 230 CO -0.03 0.11 0.70 0.00 -1.57 0.00 0.00 175.55 174.77 1th3 s LYS 232 N -3.57 2.70 0.10 0.00 -0.14 0.05 -0.57 119.74 118.31 1th3 s LYS 232 Ca 0.03 -0.86 -0.16 0.00 -1.36 0.00 0.00 55.97 53.62 1th3 s LYS 232 Cb -0.01 -2.16 -0.07 0.00 -1.68 0.00 0.00 37.83 33.91 1th3 s LYS 232 CO -0.10 0.27 0.54 -0.06 -0.76 0.00 0.00 175.35 175.25 1th3 s PHE 233 N 0.10 3.70 -0.09 3.18 0.08 -1.26 -0.87 117.98 122.83 1th3 s PHE 233 Ca -0.11 1.15 -0.05 0.00 0.12 0.00 0.00 56.93 58.04 1th3 s PHE 233 Cb -0.16 -2.42 0.04 0.00 -0.57 0.00 0.00 43.02 39.91 1th3 s PHE 233 CO 0.06 0.52 0.21 -1.01 -0.10 0.00 0.00 175.22 174.90 1th3 s HIS 234 N -1.28 -0.26 -0.31 0.36 3.76 0.15 -1.91 115.29 115.81 1th3 s HIS 234 Ca 0.33 0.64 -0.02 0.00 -0.15 0.00 0.00 55.06 55.86 1th3 s HIS 234 Cb -0.17 0.03 0.10 0.00 1.11 0.00 0.00 32.58 33.65 1th3 s HIS 234 CO 0.18 -0.18 0.12 1.52 -0.85 0.00 0.00 174.74 175.54 1th3 s TYR 235 N 0.90 1.16 0.29 1.40 1.13 -0.69 0.38 117.35 121.92 1th3 s TYR 235 Ca -0.07 -1.46 -0.28 0.00 -1.41 0.00 0.00 57.07 53.86 1th3 s TYR 235 Cb -0.08 -1.38 -0.09 0.00 -1.10 0.00 0.00 41.96 39.31 1th3 s TYR 235 CO -0.05 -0.85 0.94 0.15 -2.51 0.00 0.00 175.55 173.22 1th3 s LYS 236 N 1.69 4.70 0.48 -3.49 1.02 -0.06 -1.81 119.74 122.26 1th3 s LYS 236 Ca 0.10 1.39 -0.23 0.00 0.02 0.00 0.00 55.97 57.26 1th3 s LYS 236 Cb -0.18 -3.01 -0.07 0.00 -0.52 0.00 0.00 37.83 34.06 1th3 s LYS 236 CO -0.26 0.38 1.27 -0.08 -0.92 0.00 0.00 175.35 175.74 1th3 s THR 237 N -1.43 2.62 -2.18 2.17 -1.32 -1.26 -0.95 115.64 113.29 1th3 s THR 237 Ca 0.46 0.48 0.24 0.00 -1.21 0.00 0.00 61.69 61.67 1th3 s THR 237 Cb -0.22 -3.25 0.13 0.00 -1.51 0.00 0.00 72.50 67.66 1th3 s THR 237 CO 0.27 0.01 1.28 0.47 -2.21 0.00 0.00 174.62 174.44 1th3 n ASP 238 N -0.58 1.93 -1.37 8.08 9.92 -0.72 -3.98 116.55 129.84 1th3 n ASP 238 Ca 0.08 -1.46 0.08 0.00 -0.53 0.00 0.00 54.79 52.96 1th3 n ASP 238 Cb 0.46 0.28 0.32 0.00 -0.64 0.00 0.00 41.12 41.54 1th3 n ASP 238 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1th3 n GLN 239 N 0.09 3.71 -1.95 -1.24 0.00 -1.26 -4.99 117.38 111.74 1th3 n GLN 239 Ca 0.12 -2.85 0.00 0.00 0.00 0.00 0.00 57.00 54.26 1th3 n GLN 239 Cb 0.46 -1.90 0.00 0.00 0.00 0.00 0.00 30.24 28.79 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 0.50 -4.51 3.65 2.61 0.00 -1.26 -4.69 105.19 101.49 1th3 n GLY 240 Ca 0.23 -0.27 -0.63 0.00 0.00 0.00 0.00 46.02 45.36 1th3 n GLY 240 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1th3 n ILE 241 N 1.13 0.11 -3.71 -0.61 -0.00 -1.26 -4.65 119.36 110.37 1th3 n ILE 241 Ca 0.00 -0.03 -0.20 0.00 -0.00 0.00 0.00 62.75 62.52 1th3 n ILE 241 Cb 0.00 -0.79 -0.18 0.00 -0.00 0.00 0.00 39.64 38.67 1th3 n ILE 241 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1th3 s LYS 242 N 3.82 0.09 0.45 0.38 2.20 -1.26 -5.03 119.74 120.39 1th3 s LYS 242 Ca 1.06 0.30 0.07 0.00 -0.36 0.00 0.00 55.97 57.03 1th3 s LYS 242 Cb -1.33 -0.60 -0.01 0.00 -1.51 0.00 0.00 37.83 34.38 1th3 s LYS 242 CO 0.73 -0.31 0.36 -0.80 -0.36 0.00 0.00 175.35 174.97 1th3 s ASN 243 N 2.01 4.84 0.07 1.43 0.02 -1.26 -1.33 114.94 120.73 1th3 s ASN 243 Ca 0.04 -0.93 0.03 0.00 -1.02 0.00 0.00 52.86 50.97 1th3 s ASN 243 Cb -0.12 -0.29 -0.04 0.00 0.02 0.00 0.00 41.25 40.82 1th3 s ASN 243 CO -0.03 -0.76 0.07 -0.76 0.02 0.00 0.00 177.10 175.64 1th3 s LEU 244 N -4.14 3.79 0.60 0.60 1.43 0.14 -4.73 118.68 116.37 1th3 s LEU 244 Ca 0.44 -0.00 -0.14 0.00 -1.03 0.00 0.00 54.13 53.40 1th3 s LEU 244 Cb -0.02 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1th3 s LEU 244 CO 0.26 0.18 1.03 -0.55 0.23 0.00 0.00 176.35 177.51 1th3 s SER 245 N -2.31 5.99 0.12 2.29 0.15 -1.26 -4.73 113.70 113.95 1th3 s SER 245 Ca 0.28 1.64 -0.24 0.00 0.70 0.00 0.00 55.95 58.33 1th3 s SER 245 Cb -0.12 -2.51 -0.06 0.00 -1.71 0.00 0.00 66.02 61.62 1th3 s SER 245 CO 0.21 -1.03 1.67 0.58 1.20 0.00 0.00 173.24 175.87 1th3 h VAL 246 N 0.18 0.59 -0.02 4.45 2.07 -1.98 0.20 116.25 121.74 1th3 h VAL 246 Ca -0.46 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1th3 h VAL 246 Cb 1.20 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1th3 h VAL 246 CO 0.59 0.00 -0.01 1.05 0.02 0.00 0.00 177.57 179.22 1th3 h GLU 247 N -0.27 0.04 -0.10 1.57 4.11 -1.96 0.13 114.58 118.10 1th3 h GLU 247 Ca 0.06 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.48 1th3 h GLU 247 Cb 0.35 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1th3 h GLU 247 CO -0.17 0.45 -0.13 -0.44 0.07 0.00 0.00 179.01 178.79 1th3 h ASP 248 N -0.38 -0.43 -0.27 3.06 5.19 -1.90 0.49 116.42 122.18 1th3 h ASP 248 Ca 0.00 0.06 0.08 0.00 -0.62 0.00 0.00 57.03 56.55 1th3 h ASP 248 Cb 0.44 0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 1th3 h ASP 248 CO 0.00 -0.09 0.24 0.00 -3.12 0.00 0.00 179.24 176.27 1th3 h ALA 249 N -1.00 2.05 0.00 3.45 0.00 -0.66 -0.27 119.26 122.83 1th3 h ALA 249 Ca 0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1th3 h ALA 249 Cb 0.14 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1th3 h ALA 249 CO -0.14 -0.38 -0.39 0.00 0.00 0.00 0.00 179.25 178.34 1th3 h ALA 250 N 1.77 1.19 0.11 0.00 0.00 0.26 -1.94 119.26 120.65 1th3 h ALA 250 Ca 0.13 -0.35 -0.36 0.00 0.00 0.00 0.00 54.91 54.33 1th3 h ALA 250 Cb 0.61 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1th3 h ALA 250 CO -0.00 0.48 -1.98 2.89 0.00 0.00 0.00 179.25 180.64 1th3 n ARG 251 N -3.82 0.74 -0.04 0.00 1.85 0.44 -3.71 116.66 112.12 1th3 n ARG 251 Ca -0.01 0.28 0.19 0.00 -1.00 0.00 0.00 57.85 57.31 1th3 n ARG 251 Cb 0.45 -1.70 0.65 0.00 -1.05 0.00 0.00 32.46 30.81 1th3 n ARG 251 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1th3 h LEU 252 N -0.00 0.09 -0.88 2.89 3.38 -1.33 0.51 115.31 119.96 1th3 h LEU 252 Ca -0.43 0.00 0.23 0.00 0.09 0.00 0.00 57.88 57.78 1th3 h LEU 252 Cb 1.98 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 42.58 1th3 h LEU 252 CO 0.06 0.05 0.27 0.00 0.09 0.00 0.00 178.44 178.91 1th3 h ALA 253 N 1.71 1.31 0.00 1.53 0.00 -1.43 0.71 119.26 123.10 1th3 h ALA 253 Ca 0.28 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 1th3 h ALA 253 Cb 0.98 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1th3 h ALA 253 CO -0.03 -0.44 -1.63 -2.39 0.00 0.00 0.00 179.25 174.76 1th3 n HIS 254 N -5.18 0.00 0.08 0.00 1.44 0.02 -3.64 115.22 107.94 1th3 n HIS 254 Ca 0.21 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.79 1th3 n HIS 254 Cb 0.68 -0.33 -0.08 0.00 0.12 0.00 0.00 29.99 30.37 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 -0.21 -1.88 -1.40 5.08 0.57 -3.41 114.58 113.32 1th3 h GLU 255 Ca -0.02 0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 1th3 h GLU 255 Cb 0.69 0.05 -0.30 0.00 0.50 0.00 0.00 28.75 29.69 1th3 h GLU 255 CO 0.00 0.13 -0.68 0.34 -1.00 0.00 0.00 179.01 177.80 1th3 s ASP 256 N -5.31 0.94 0.54 1.42 2.15 0.24 -5.00 116.67 111.65 1th3 s ASP 256 Ca -0.15 -1.64 0.27 0.00 0.43 0.00 0.00 52.55 51.47 1th3 s ASP 256 Cb 0.02 0.63 1.55 0.00 -0.30 0.00 0.00 42.92 44.83 1th3 s ASP 256 CO 0.60 -0.24 2.13 1.55 -0.17 0.00 0.00 175.17 179.04 1th3 h PRO 257 N 6.89 0.00 -0.76 4.34 0.13 -1.60 -1.61 132.00 139.39 1th3 h PRO 257 Ca 0.06 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.09 1th3 h PRO 257 Cb 1.06 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 1th3 h PRO 257 CO 0.19 0.08 0.13 -0.25 -0.23 0.00 0.00 178.00 177.92 1th3 n ASP 258 N -3.75 4.40 -0.35 1.44 8.00 -1.26 0.22 116.55 125.25 1th3 n ASP 258 Ca -0.02 -2.85 0.03 0.00 0.71 0.00 0.00 54.79 52.65 1th3 n ASP 258 Cb 0.19 -0.67 0.09 0.00 -0.02 0.00 0.00 41.12 40.70 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 2.50 -0.74 0.64 1.24 3.20 -1.63 0.07 116.97 122.25 1th3 h TYR 259 Ca 0.12 0.09 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 1th3 h TYR 259 Cb 1.85 0.47 -0.01 0.00 1.54 0.00 0.00 36.73 40.58 1th3 h TYR 259 CO 0.95 -0.41 -0.48 0.78 -1.64 0.00 0.00 178.16 177.36 1th3 h GLY 260 N -0.01 -1.25 -0.68 1.82 0.00 -1.87 -1.34 103.07 99.75 1th3 h GLY 260 Ca 0.41 0.54 0.24 0.00 0.00 0.00 0.00 47.33 48.52 1th3 h GLY 260 CO -0.98 -0.40 0.08 1.41 0.00 0.00 0.00 176.54 176.65 1th3 h LEU 261 N -1.08 -0.31 0.31 3.11 -0.00 -1.41 0.47 115.31 116.40 1th3 h LEU 261 Ca -0.08 0.24 -0.01 0.00 -0.00 0.00 0.00 57.88 58.02 1th3 h LEU 261 Cb 0.90 0.39 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 1th3 h LEU 261 CO 0.03 -0.26 -0.15 -0.09 -0.00 0.00 0.00 178.44 177.97 1th3 h ARG 262 N 0.08 -0.40 0.07 1.13 9.65 -0.85 -1.99 114.38 122.08 1th3 h ARG 262 Ca 0.54 0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.48 1th3 h ARG 262 Cb 1.09 0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.71 1th3 h ARG 262 CO -0.79 -0.17 -0.35 0.22 2.80 0.00 0.00 179.97 181.68 1th3 h ASP 263 N -0.55 -1.03 -0.76 -3.80 1.82 0.18 -0.72 116.42 111.56 1th3 h ASP 263 Ca -0.04 0.12 0.02 0.00 -0.39 0.00 0.00 57.03 56.74 1th3 h ASP 263 Cb 0.40 0.40 -0.04 0.00 0.68 0.00 0.00 39.33 40.78 1th3 h ASP 263 CO 0.07 -0.42 0.50 0.25 -1.61 0.00 0.00 179.24 178.03 1th3 h LEU 264 N -0.55 0.84 0.08 2.28 5.85 -1.18 -1.39 115.31 121.25 1th3 h LEU 264 Ca 0.04 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1th3 h LEU 264 Cb 0.60 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1th3 h LEU 264 CO -0.24 0.60 -0.04 0.15 -0.34 0.00 0.00 178.44 178.57 1th3 h PHE 265 N 0.99 -0.10 -0.63 1.25 3.04 -0.90 -3.06 116.94 117.53 1th3 h PHE 265 Ca 0.29 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.20 1th3 h PHE 265 Cb -0.06 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.46 1th3 h PHE 265 CO -0.00 0.31 0.26 -0.91 -2.02 0.00 0.00 178.31 175.95 1th3 h ASN 266 N -0.55 0.84 0.53 0.41 2.35 -1.02 0.10 115.58 118.24 1th3 h ASN 266 Ca -0.01 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1th3 h ASN 266 Cb 0.46 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1th3 h ASN 266 CO 0.02 0.75 -0.38 0.00 -1.65 0.00 0.00 177.43 176.17 1th3 h ALA 267 N 1.38 -1.15 -0.55 -0.83 0.00 -1.32 -0.52 119.26 116.28 1th3 h ALA 267 Ca 0.21 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1th3 h ALA 267 Cb 0.17 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1th3 h ALA 267 CO -0.02 -1.13 0.28 0.82 0.00 0.00 0.00 179.25 179.20 1th3 h ILE 268 N -0.87 0.94 -0.57 0.00 2.04 -1.46 -0.51 117.51 117.09 1th3 h ILE 268 Ca -0.07 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 65.68 1th3 h ILE 268 Cb 0.71 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1th3 h ILE 268 CO 0.04 0.10 0.38 0.00 0.00 0.00 0.00 178.15 178.67 1th3 h ALA 269 N 1.30 1.90 -0.24 1.87 0.00 -0.59 -2.09 119.26 121.41 1th3 h ALA 269 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1th3 h ALA 269 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1th3 h ALA 269 CO -0.18 -0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.32 1th3 n THR 270 N -4.47 0.31 -0.17 0.00 -2.24 -0.22 -4.90 114.28 102.59 1th3 n THR 270 Ca 0.08 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1th3 n THR 270 Cb 0.28 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1th3 n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1th3 n GLY 271 N 1.20 0.71 1.99 3.38 0.00 -0.79 -4.96 105.19 106.73 1th3 n GLY 271 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 5.95 -4.71 1.61 2.85 -0.25 -4.97 115.26 115.74 1th3 n ASN 272 Ca 0.00 -2.83 -0.59 0.00 -0.11 0.00 0.00 54.58 51.05 1th3 n ASN 272 Cb 0.00 -1.20 -0.08 0.00 1.24 0.00 0.00 39.78 39.74 1th3 n ASN 272 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1th3 n TYR 273 N 1.23 1.97 -1.84 1.20 4.01 -1.26 -4.45 117.16 118.02 1th3 n TYR 273 Ca 0.32 0.66 -0.30 0.00 -0.16 0.00 0.00 57.90 58.41 1th3 n TYR 273 Cb 0.64 -2.41 0.05 0.00 -0.31 0.00 0.00 39.34 37.30 1th3 n TYR 273 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1th3 s PRO 274 N 3.30 2.83 0.19 -0.72 0.04 -1.25 -4.86 135.00 134.53 1th3 s PRO 274 Ca 0.99 0.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 1th3 s PRO 274 Cb -1.15 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 31.38 1th3 s PRO 274 CO 0.68 -1.07 0.36 -1.54 0.04 0.00 0.00 177.00 175.47 1th3 s SER 275 N -4.28 -0.04 0.01 6.66 1.04 -1.26 -2.40 113.70 113.44 1th3 s SER 275 Ca 0.58 -0.84 -0.04 0.00 0.48 0.00 0.00 55.95 56.13 1th3 s SER 275 Cb -0.11 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1th3 s SER 275 CO 0.52 -0.97 0.07 0.26 0.98 0.00 0.00 173.24 174.10 1th3 s TRP 276 N -3.97 0.12 -0.21 5.02 0.51 0.66 -1.75 118.94 119.31 1th3 s TRP 276 Ca 0.18 -0.27 -0.06 0.00 -2.12 0.00 0.00 56.10 53.84 1th3 s TRP 276 Cb 0.02 -0.10 -0.03 0.00 -0.81 0.00 0.00 33.47 32.56 1th3 s TRP 276 CO 0.02 -0.24 0.02 0.99 -0.51 0.00 0.00 176.95 177.23 1th3 s THR 277 N -1.36 4.08 0.01 2.01 2.01 -0.12 0.59 115.64 122.85 1th3 s THR 277 Ca -0.15 -0.26 -0.26 0.00 0.31 0.00 0.00 61.69 61.33 1th3 s THR 277 Cb -0.08 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1th3 s THR 277 CO 0.01 0.40 0.79 -0.22 -0.69 0.00 0.00 174.62 174.92 1th3 s LEU 278 N 1.16 4.40 0.20 4.42 2.96 0.27 -0.88 118.68 131.20 1th3 s LEU 278 Ca 0.03 1.43 0.06 0.00 -0.22 0.00 0.00 54.13 55.43 1th3 s LEU 278 Cb -0.14 -3.27 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 1th3 s LEU 278 CO 0.02 -0.07 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.57 1th3 s TYR 279 N 0.36 1.58 -0.01 5.38 2.02 1.22 -0.19 117.35 127.72 1th3 s TYR 279 Ca 0.41 -0.70 -0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1th3 s TYR 279 Cb -0.20 -0.81 0.00 0.00 -0.40 0.00 0.00 41.96 40.56 1th3 s TYR 279 CO 0.23 0.20 0.01 0.96 -1.57 0.00 0.00 175.55 175.38 1th3 s ILE 280 N -3.16 -0.00 -0.18 2.71 -4.36 -0.28 0.34 121.20 116.27 1th3 s ILE 280 Ca 0.23 0.01 -0.07 0.00 -0.26 0.00 0.00 60.65 60.56 1th3 s ILE 280 Cb 0.02 -0.03 -0.04 0.00 1.25 0.00 0.00 42.46 43.66 1th3 s ILE 280 CO 0.06 0.01 0.06 -1.10 0.24 0.00 0.00 174.94 174.20 1th3 s GLN 281 N 0.07 3.92 -0.08 0.37 -0.21 -0.05 -1.21 119.66 122.48 1th3 s GLN 281 Ca -0.01 -0.35 0.01 0.00 0.02 0.00 0.00 55.36 55.04 1th3 s GLN 281 Cb -0.01 -3.18 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 1th3 s GLN 281 CO -0.00 0.30 -0.10 0.08 -2.12 0.00 0.00 175.29 173.44 1th3 s VAL 282 N 0.29 3.36 -0.06 1.09 1.01 -1.26 -0.77 120.40 124.07 1th3 s VAL 282 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1th3 s VAL 282 Cb -0.12 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1th3 s VAL 282 CO 0.00 0.57 -0.03 -0.32 0.00 0.00 0.00 175.10 175.32 1th3 s MET 283 N -0.43 0.80 0.59 2.72 1.75 0.19 -4.91 119.30 120.01 1th3 s MET 283 Ca 0.06 -0.04 -0.14 0.00 -1.25 0.00 0.00 55.69 54.31 1th3 s MET 283 Cb -0.12 -0.93 -0.05 0.00 2.84 0.00 0.00 34.83 36.57 1th3 s MET 283 CO 0.02 -0.17 1.02 0.95 -0.65 0.00 0.00 175.02 176.20 1th3 s THR 284 N 1.31 4.41 0.53 10.11 -4.23 -1.26 -0.35 115.64 126.16 1th3 s THR 284 Ca -0.05 0.97 0.22 0.00 -1.18 0.00 0.00 61.69 61.66 1th3 s THR 284 Cb -0.14 -3.67 0.35 0.00 1.34 0.00 0.00 72.50 70.38 1th3 s THR 284 CO -0.02 -0.84 2.06 -0.26 -0.54 0.00 0.00 174.62 175.02 1th3 h PHE 285 N 0.21 0.00 0.55 3.99 -1.00 -1.97 0.62 116.94 119.33 1th3 h PHE 285 Ca -0.45 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.30 1th3 h PHE 285 Cb 1.20 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.76 1th3 h PHE 285 CO 0.63 0.00 -0.26 0.77 -1.61 0.00 0.00 178.31 177.84 1th3 h SER 286 N 0.00 -0.62 -0.76 2.17 0.02 -1.98 -1.70 113.55 110.67 1th3 h SER 286 Ca 0.15 0.02 0.14 0.00 -0.84 0.00 0.00 61.79 61.26 1th3 h SER 286 Cb 0.62 0.16 -0.09 0.00 0.14 0.00 0.00 62.40 63.23 1th3 h SER 286 CO -0.00 -0.39 0.32 -0.33 -1.14 0.00 0.00 176.83 175.29 1th3 h GLU 287 N -0.85 0.46 -0.60 3.45 5.08 -1.72 0.79 114.58 121.18 1th3 h GLU 287 Ca -0.07 -0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.43 1th3 h GLU 287 Cb 0.56 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1th3 h GLU 287 CO 0.12 0.30 0.43 0.00 -1.00 0.00 0.00 179.01 178.87 1th3 h ALA 288 N 1.54 2.57 0.16 3.43 0.00 0.32 1.33 119.26 128.62 1th3 h ALA 288 Ca 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1th3 h ALA 288 Cb 0.62 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1th3 h ALA 288 CO -0.39 -0.74 -0.08 0.93 0.00 0.00 0.00 179.25 178.97 1th3 h GLU 289 N 0.01 -0.21 -0.31 0.00 5.08 0.15 -3.35 114.58 115.94 1th3 h GLU 289 Ca 0.29 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1th3 h GLU 289 Cb 1.15 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1th3 h GLU 289 CO -0.00 0.17 0.01 -0.84 -1.00 0.00 0.00 179.01 177.35 1th3 h ILE 290 N -0.93 1.25 -0.42 3.13 3.07 -0.37 -3.45 117.51 119.80 1th3 h ILE 290 Ca -0.02 -0.91 -0.32 0.00 1.55 0.00 0.00 64.86 65.16 1th3 h ILE 290 Cb 0.48 1.23 0.03 0.00 -0.27 0.00 0.00 36.82 38.29 1th3 h ILE 290 CO 0.04 0.30 -0.02 0.33 -1.05 0.00 0.00 178.15 177.74 1th3 n PHE 291 N -4.57 0.18 1.83 0.16 7.35 0.45 -4.88 117.46 117.97 1th3 n PHE 291 Ca -0.02 0.43 0.13 0.00 -0.76 0.00 0.00 57.45 57.23 1th3 n PHE 291 Cb 0.25 -0.86 0.79 0.00 0.35 0.00 0.00 39.48 40.01 1th3 n PHE 291 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1th3 n PRO 292 N 0.58 0.92 -4.48 -7.13 -0.04 -1.26 -4.79 135.00 118.79 1th3 n PRO 292 Ca 0.08 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.31 1th3 n PRO 292 Cb 0.05 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 31.95 1th3 n PRO 292 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1th3 s PHE 293 N -2.00 2.17 -0.23 0.54 -0.12 -1.26 -5.11 117.98 111.97 1th3 s PHE 293 Ca 0.40 -0.61 -0.40 0.00 -0.05 0.00 0.00 56.93 56.28 1th3 s PHE 293 Cb 0.18 -1.25 -0.16 0.00 -0.63 0.00 0.00 43.02 41.17 1th3 s PHE 293 CO 0.31 0.42 1.70 -1.71 -0.05 0.00 0.00 175.22 175.89 1th3 n ASN 294 N -0.69 2.32 0.00 1.98 2.85 -1.26 -4.78 115.26 115.69 1th3 n ASN 294 Ca -0.05 1.08 0.09 0.00 -0.11 0.00 0.00 54.58 55.58 1th3 n ASN 294 Cb 0.63 -1.15 0.45 0.00 1.24 0.00 0.00 39.78 40.96 1th3 n ASN 294 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1th3 n PRO 295 N 5.08 0.29 0.00 1.20 -0.04 -1.26 -2.11 135.00 138.16 1th3 n PRO 295 Ca 0.25 0.10 0.06 0.00 -0.04 0.00 0.00 63.50 63.88 1th3 n PRO 295 Cb 0.14 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.15 1th3 n PRO 295 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1th3 n PHE 296 N -1.25 0.00 -2.15 0.54 3.72 -1.26 -4.81 117.46 112.25 1th3 n PHE 296 Ca 0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 1th3 n PHE 296 Cb 0.13 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 1th3 n PHE 296 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1th3 s ASP 297 N -1.05 6.81 0.25 4.37 -1.08 -0.89 -4.50 116.67 120.59 1th3 s ASP 297 Ca 0.14 2.45 0.25 0.00 -0.52 0.00 0.00 52.55 54.86 1th3 s ASP 297 Cb 0.10 -2.61 0.53 0.00 -1.46 0.00 0.00 42.92 39.49 1th3 s ASP 297 CO 0.16 -0.61 1.59 0.25 0.52 0.00 0.00 175.17 177.08 1th3 h LEU 298 N 5.72 0.00 -2.11 -1.34 5.85 -1.90 -3.20 115.31 118.34 1th3 h LEU 298 Ca -0.44 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1th3 h LEU 298 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1th3 h LEU 298 CO 0.80 0.02 0.00 0.35 -0.34 0.00 0.00 178.44 179.27 1th3 n THR 299 N -2.49 1.16 -4.39 1.05 -2.24 -1.26 -2.41 114.28 103.70 1th3 n THR 299 Ca 0.04 -0.72 -0.20 0.00 -2.27 0.00 0.00 64.05 60.90 1th3 n THR 299 Cb 0.47 -0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.53 1th3 n THR 299 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1th3 s LYS 300 N -1.76 1.45 0.02 -0.78 -0.14 -1.21 -4.87 119.74 112.45 1th3 s LYS 300 Ca 0.31 -1.65 0.01 0.00 -1.36 0.00 0.00 55.97 53.29 1th3 s LYS 300 Cb 0.20 -1.35 -0.02 0.00 -1.68 0.00 0.00 37.83 34.99 1th3 s LYS 300 CO 0.14 0.24 -0.05 0.14 -0.76 0.00 0.00 175.35 175.05 1th3 s VAL 301 N -2.80 0.38 -0.07 3.17 -7.23 -1.26 -4.85 120.40 107.74 1th3 s VAL 301 Ca 0.25 -0.71 -0.27 0.00 -1.81 0.00 0.00 61.98 59.44 1th3 s VAL 301 Cb -0.02 -0.42 -0.03 0.00 0.56 0.00 0.00 36.38 36.47 1th3 s VAL 301 CO 0.10 -0.23 0.88 0.26 -0.31 0.00 0.00 175.10 175.80 1th3 s TRP 302 N -0.92 3.56 -0.11 2.82 0.51 -1.26 -5.03 118.94 118.52 1th3 s TRP 302 Ca -0.07 1.48 -0.24 0.00 -2.12 0.00 0.00 56.10 55.14 1th3 s TRP 302 Cb -0.07 -3.03 -0.03 0.00 -0.81 0.00 0.00 33.47 29.53 1th3 s TRP 302 CO -0.00 -0.07 0.77 -1.25 -0.51 0.00 0.00 176.95 175.89 1th3 s PRO 303 N 1.37 4.37 0.21 4.98 0.05 -1.26 -4.89 135.00 139.83 1th3 s PRO 303 Ca 0.45 0.95 0.06 0.00 0.05 0.00 0.00 61.00 62.51 1th3 s PRO 303 Cb -0.19 -3.51 0.34 0.00 0.05 0.00 0.00 34.50 31.20 1th3 s PRO 303 CO 0.20 -0.12 1.00 0.72 0.05 0.00 0.00 177.00 178.85 1th3 n HIS 304 N 4.45 0.21 0.25 0.56 8.25 -1.25 -1.31 115.22 126.38 1th3 n HIS 304 Ca 0.01 0.11 -0.15 0.00 -0.26 0.00 0.00 57.72 57.44 1th3 n HIS 304 Cb 0.50 -0.39 -0.08 0.00 1.12 0.00 0.00 29.99 31.14 1th3 n HIS 304 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1th3 h GLY 305 N 0.00 -1.17 0.56 -1.41 0.00 -1.99 -3.07 103.07 95.98 1th3 h GLY 305 Ca 0.00 0.54 -0.33 0.00 0.00 0.00 0.00 47.33 47.54 1th3 h GLY 305 CO 0.00 -0.36 -2.00 1.22 0.00 0.00 0.00 176.54 175.40 1th3 n ASP 306 N -4.95 0.52 -3.94 0.19 9.92 -0.43 -4.64 116.55 113.23 1th3 n ASP 306 Ca -0.10 0.24 -0.30 0.00 -0.53 0.00 0.00 54.79 54.10 1th3 n ASP 306 Cb 0.38 0.38 -0.13 0.00 -0.64 0.00 0.00 41.12 41.11 1th3 n ASP 306 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1th3 s TYR 307 N -2.55 3.40 0.24 1.24 2.02 -0.76 -5.09 117.35 115.84 1th3 s TYR 307 Ca -0.07 -3.23 -0.30 0.00 -0.37 0.00 0.00 57.07 53.10 1th3 s TYR 307 Cb 0.07 -2.81 -0.09 0.00 -0.40 0.00 0.00 41.96 38.73 1th3 s TYR 307 CO 0.83 -0.66 1.33 -1.25 -1.57 0.00 0.00 175.55 174.23 1th3 s PRO 308 N -0.85 4.36 0.10 -1.71 0.04 -1.16 -3.90 135.00 131.89 1th3 s PRO 308 Ca 0.21 2.13 -0.33 0.00 0.04 0.00 0.00 61.00 63.05 1th3 s PRO 308 Cb -0.15 -3.15 -0.12 0.00 0.04 0.00 0.00 34.50 31.11 1th3 s PRO 308 CO -0.08 -0.27 1.73 1.28 0.04 0.00 0.00 177.00 179.70 1th3 n LEU 309 N 2.20 3.50 -4.71 -3.56 4.32 -1.26 -4.69 117.00 112.80 1th3 n LEU 309 Ca 0.05 1.03 -0.35 0.00 -0.02 0.00 0.00 56.01 56.73 1th3 n LEU 309 Cb 0.42 -1.46 -0.09 0.00 -1.62 0.00 0.00 43.42 40.67 1th3 n LEU 309 CO 0.59 -0.08 -0.29 -0.63 -1.22 0.00 0.00 177.39 175.76 1th3 s ILE 310 N 2.11 4.42 0.14 -0.08 1.09 -0.35 -4.89 121.20 123.64 1th3 s ILE 310 Ca 0.82 -0.27 -0.28 0.00 -1.10 0.00 0.00 60.65 59.82 1th3 s ILE 310 Cb -0.62 -2.89 -0.07 0.00 -1.06 0.00 0.00 42.46 37.82 1th3 s ILE 310 CO 0.40 0.55 0.86 -2.16 -0.10 0.00 0.00 174.94 174.50 1th3 s PRO 311 N -1.06 4.66 0.04 2.79 0.05 -1.26 -1.12 135.00 139.09 1th3 s PRO 311 Ca 0.15 1.30 0.00 0.00 0.05 0.00 0.00 61.00 62.50 1th3 s PRO 311 Cb -0.11 -3.32 0.00 0.00 0.05 0.00 0.00 34.50 31.11 1th3 s PRO 311 CO 0.05 0.39 0.00 0.28 0.05 0.00 0.00 177.00 177.76 1th3 n VAL 312 N 2.20 0.36 -3.88 -0.36 0.31 0.73 -4.60 118.33 113.09 1th3 n VAL 312 Ca -0.02 0.12 0.01 0.00 -0.01 0.00 0.00 64.34 64.44 1th3 n VAL 312 Cb 0.49 -1.39 0.01 0.00 -0.91 0.00 0.00 33.84 32.03 1th3 n VAL 312 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1th3 s GLY 313 N -4.71 -0.14 -0.12 2.92 0.00 -1.14 -1.53 107.32 102.60 1th3 s GLY 313 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 44.72 44.77 1th3 s GLY 313 CO 0.00 3.60 0.05 0.54 0.00 0.00 0.00 173.10 177.29 1th3 s LYS 314 N -2.18 3.34 -0.34 2.90 -0.14 -0.22 0.94 119.74 124.05 1th3 s LYS 314 Ca 0.24 -0.32 -0.09 0.00 -1.36 0.00 0.00 55.97 54.44 1th3 s LYS 314 Cb 0.00 -3.00 0.01 0.00 -1.68 0.00 0.00 37.83 33.17 1th3 s LYS 314 CO -0.00 0.62 0.16 -0.51 -0.76 0.00 0.00 175.35 174.86 1th3 s LEU 315 N -0.62 4.34 -0.10 3.17 1.43 0.20 -1.11 118.68 125.98 1th3 s LEU 315 Ca 0.11 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 1th3 s LEU 315 Cb -0.12 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.11 1th3 s LEU 315 CO 0.02 -0.28 -0.19 -0.69 0.23 0.00 0.00 176.35 175.44 1th3 s VAL 316 N 1.55 2.56 -0.38 -1.59 1.01 -0.47 -0.25 120.40 122.84 1th3 s VAL 316 Ca 0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 1th3 s VAL 316 Cb -0.18 -2.02 0.10 0.00 0.00 0.00 0.00 36.38 34.28 1th3 s VAL 316 CO 0.05 0.55 0.14 -0.76 0.00 0.00 0.00 175.10 175.08 1th3 s LEU 317 N 0.21 5.00 0.00 3.92 1.43 -1.01 -0.47 118.68 127.76 1th3 s LEU 317 Ca -0.12 -2.01 0.05 0.00 -1.03 0.00 0.00 54.13 51.03 1th3 s LEU 317 Cb -0.16 -1.76 0.14 0.00 0.03 0.00 0.00 46.19 44.44 1th3 s LEU 317 CO 0.06 -0.47 1.08 -0.46 0.23 0.00 0.00 176.35 176.80 1th3 n ASN 318 N 4.49 2.37 -4.06 2.29 6.94 -0.80 -3.95 115.26 122.54 1th3 n ASN 318 Ca -0.01 -1.93 -0.20 0.00 -0.02 0.00 0.00 54.58 52.42 1th3 n ASN 318 Cb 0.42 -0.10 -0.15 0.00 -2.36 0.00 0.00 39.78 37.59 1th3 n ASN 318 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1th3 s ARG 319 N -0.95 0.89 0.15 -3.83 3.52 0.13 -4.99 118.95 113.87 1th3 s ARG 319 Ca 0.11 -0.41 0.03 0.00 -0.13 0.00 0.00 55.73 55.32 1th3 s ARG 319 Cb 0.06 -0.86 -0.04 0.00 -1.56 0.00 0.00 34.95 32.55 1th3 s ARG 319 CO 0.08 0.23 0.27 -0.80 -0.81 0.00 0.00 175.30 174.27 1th3 s ASN 320 N -0.31 6.28 0.27 -2.12 0.01 -1.26 -0.92 114.94 116.89 1th3 s ASN 320 Ca 0.04 0.15 -0.29 0.00 -0.71 0.00 0.00 52.86 52.05 1th3 s ASN 320 Cb -0.04 -1.88 -0.09 0.00 0.41 0.00 0.00 41.25 39.64 1th3 s ASN 320 CO -0.00 0.06 1.20 -2.84 -1.51 0.00 0.00 177.10 174.00 1th3 s PRO 321 N -3.21 4.50 -0.07 -0.60 0.02 -1.26 -4.87 135.00 129.51 1th3 s PRO 321 Ca 0.34 1.97 -0.11 0.00 0.02 0.00 0.00 61.00 63.22 1th3 s PRO 321 Cb -0.11 -3.16 -0.08 0.00 0.02 0.00 0.00 34.50 31.17 1th3 s PRO 321 CO 0.28 -0.01 0.43 0.28 -0.33 0.00 0.00 177.00 177.66 1th3 h VAL 322 N 3.25 0.30 -3.69 3.83 2.07 -1.99 -3.42 116.25 116.61 1th3 h VAL 322 Ca -0.47 -1.00 -0.68 0.00 0.82 0.00 0.00 66.70 65.37 1th3 h VAL 322 Cb 1.22 0.54 -0.32 0.00 -1.52 0.00 0.00 31.29 31.20 1th3 h VAL 322 CO 0.69 0.09 -0.71 0.21 0.02 0.00 0.00 177.57 177.87 1th3 s ASN 323 N -5.38 4.77 0.12 0.57 3.84 -1.26 -5.03 114.94 112.56 1th3 s ASN 323 Ca -0.07 -1.13 -0.26 0.00 0.21 0.00 0.00 52.86 51.62 1th3 s ASN 323 Cb 0.00 -1.71 -0.07 0.00 -0.55 0.00 0.00 41.25 38.92 1th3 s ASN 323 CO 0.22 -0.22 1.65 0.22 -2.79 0.00 0.00 177.10 176.17 1th3 h TYR 324 N 8.02 -0.63 -0.15 0.43 5.03 -1.97 -1.25 116.97 126.46 1th3 h TYR 324 Ca -0.25 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.12 1th3 h TYR 324 Cb 1.08 0.27 -0.04 0.00 1.55 0.00 0.00 36.73 39.59 1th3 h TYR 324 CO 0.60 -0.33 -0.10 0.35 -1.32 0.00 0.00 178.16 177.36 1th3 h PHE 325 N -0.41 -0.25 -0.56 -3.82 3.57 -1.95 0.50 116.94 114.02 1th3 h PHE 325 Ca 0.04 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1th3 h PHE 325 Cb 0.45 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 1th3 h PHE 325 CO -0.24 -0.16 0.34 0.00 -2.23 0.00 0.00 178.31 176.01 1th3 h ALA 326 N 1.01 0.72 0.00 2.41 0.00 -1.96 -2.15 119.26 119.29 1th3 h ALA 326 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1th3 h ALA 326 Cb 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1th3 h ALA 326 CO -0.22 0.20 -1.55 0.39 0.00 0.00 0.00 179.25 178.08 1th3 n GLU 327 N -4.64 0.52 -0.01 0.00 1.02 -0.48 -4.44 120.64 112.61 1th3 n GLU 327 Ca 0.03 -0.09 -0.03 0.00 -0.02 0.00 0.00 57.16 57.06 1th3 n GLU 327 Cb 0.06 -1.58 -0.01 0.00 -0.02 0.00 0.00 31.44 29.88 1th3 n GLU 327 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1th3 n VAL 328 N -2.20 0.27 0.13 2.62 0.31 0.17 -4.51 118.33 115.12 1th3 n VAL 328 Ca -0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.19 1th3 n VAL 328 Cb 0.52 -1.55 -0.06 0.00 -0.91 0.00 0.00 33.84 31.84 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 -0.10 -0.46 0.00 5.55 4.57 -1.32 -1.82 114.58 121.00 1th3 h GLU 329 Ca -0.06 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1th3 h GLU 329 Cb 0.96 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1th3 h GLU 329 CO -0.04 -0.31 0.00 1.04 -1.18 0.00 0.00 179.01 178.52 1th3 n GLN 330 N -5.37 0.63 -1.87 1.92 6.02 -0.82 -4.83 117.38 113.05 1th3 n GLN 330 Ca -0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.50 1th3 n GLN 330 Cb 0.28 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 1th3 n GLN 330 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1th3 s LEU 331 N -1.86 4.37 -0.07 1.08 1.43 -0.69 -4.89 118.68 118.04 1th3 s LEU 331 Ca 0.26 2.79 0.01 0.00 -1.03 0.00 0.00 54.13 56.16 1th3 s LEU 331 Cb 0.12 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.74 1th3 s LEU 331 CO 0.20 -0.84 -0.09 0.00 0.23 0.00 0.00 176.35 175.85 1th3 s ALA 332 N 0.39 1.15 -0.11 4.21 0.00 -1.26 -5.06 121.76 121.08 1th3 s ALA 332 Ca 0.65 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.26 1th3 s ALA 332 Cb -0.45 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1th3 s ALA 332 CO 0.41 -0.08 -0.17 -0.06 0.00 0.00 0.00 175.76 175.87 1th3 s PHE 333 N 1.04 2.71 -0.24 0.00 0.40 -1.26 -4.92 117.98 115.71 1th3 s PHE 333 Ca -0.08 -0.70 0.02 0.00 -0.60 0.00 0.00 56.93 55.57 1th3 s PHE 333 Cb -0.15 -1.77 0.06 0.00 0.51 0.00 0.00 43.02 41.67 1th3 s PHE 333 CO -0.01 -0.22 -0.09 -0.51 0.70 0.00 0.00 175.22 175.09 1th3 s ASP 334 N 0.19 4.05 0.55 1.36 1.01 -1.26 -4.83 116.67 117.74 1th3 s ASP 334 Ca -0.10 -1.23 0.27 0.00 0.71 0.00 0.00 52.55 52.20 1th3 s ASP 334 Cb -0.16 -1.37 1.46 0.00 1.01 0.00 0.00 42.92 43.87 1th3 s ASP 334 CO 0.06 -0.20 1.99 -0.65 0.21 0.00 0.00 175.17 176.59 1th3 h PRO 335 N 7.87 0.00 0.00 8.23 0.11 -1.85 0.43 132.00 146.79 1th3 h PRO 335 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1th3 h PRO 335 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1th3 h PRO 335 CO 0.45 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.11 1th3 n SER 336 N -4.15 0.00 -4.52 -2.05 3.41 -1.26 -4.32 113.62 100.74 1th3 n SER 336 Ca 0.08 0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 58.75 1th3 n SER 336 Cb 0.57 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 1th3 n SER 336 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1th3 s ASN 337 N -2.98 6.56 -0.14 4.04 0.02 0.15 -4.95 114.94 117.65 1th3 s ASN 337 Ca 0.06 -1.72 -0.00 0.00 -1.02 0.00 0.00 52.86 50.17 1th3 s ASN 337 Cb 0.07 -2.50 0.03 0.00 0.02 0.00 0.00 41.25 38.87 1th3 s ASN 337 CO 0.20 -1.32 -0.07 -0.04 0.02 0.00 0.00 177.10 175.89 1th3 s MET 338 N 4.03 1.56 1.08 -0.60 -1.94 -1.26 -1.84 119.30 120.33 1th3 s MET 338 Ca 0.41 -0.38 -0.14 0.00 -1.71 0.00 0.00 55.69 53.86 1th3 s MET 338 Cb -0.02 -1.80 0.23 0.00 2.01 0.00 0.00 34.83 35.25 1th3 s MET 338 CO -0.09 -0.33 1.09 -2.14 -0.01 0.00 0.00 175.02 173.54 1th3 s PRO 339 N 1.66 -0.21 0.03 2.03 0.02 -1.26 -4.84 135.00 132.43 1th3 s PRO 339 Ca 0.03 0.35 -0.30 0.00 0.02 0.00 0.00 61.00 61.10 1th3 s PRO 339 Cb -0.14 -1.68 -0.08 0.00 0.02 0.00 0.00 34.50 32.62 1th3 s PRO 339 CO -0.08 -3.13 1.86 -2.14 -0.33 0.00 0.00 177.00 173.18 1th3 s PRO 340 N -5.05 4.15 0.00 5.54 0.02 -1.26 -1.81 135.00 136.59 1th3 s PRO 340 Ca 0.67 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.19 1th3 s PRO 340 Cb -0.17 -4.00 0.00 0.00 0.02 0.00 0.00 34.50 30.35 1th3 s PRO 340 CO 0.58 -0.90 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 1th3 n GLY 341 N 4.37 1.26 3.22 0.52 0.00 -1.26 -2.79 105.19 110.51 1th3 n GLY 341 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1th3 n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th3 s ILE 342 N -0.93 2.01 0.04 -0.61 1.01 -0.75 0.06 121.20 122.02 1th3 s ILE 342 Ca 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 1th3 s ILE 342 Cb 0.00 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 1th3 s ILE 342 CO 0.00 0.55 0.05 -1.61 0.00 0.00 0.00 174.94 173.93 1th3 s GLU 343 N 0.21 0.55 1.33 2.79 2.02 -0.42 -4.51 118.70 120.68 1th3 s GLU 343 Ca -0.14 -0.85 -0.19 0.00 0.02 0.00 0.00 54.97 53.81 1th3 s GLU 343 Cb -0.17 0.21 0.33 0.00 0.10 0.00 0.00 34.13 34.60 1th3 s GLU 343 CO 0.07 -0.13 0.87 -0.35 0.02 0.00 0.00 175.26 175.75 1th3 n PRO 344 N 0.73 -3.71 -4.15 0.39 -0.04 -1.26 -1.38 135.00 125.58 1th3 n PRO 344 Ca -0.19 -1.08 -0.15 0.00 -0.04 0.00 0.00 63.50 62.04 1th3 n PRO 344 Cb 0.59 -2.00 -0.11 0.00 -0.04 0.00 0.00 33.50 31.94 1th3 n PRO 344 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1th3 s SER 345 N -2.68 1.36 0.00 3.54 0.15 -1.26 -4.24 113.70 110.57 1th3 s SER 345 Ca 0.66 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1th3 s SER 345 Cb -0.18 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1th3 s SER 345 CO 0.60 -0.22 0.44 -2.65 1.20 0.00 0.00 173.24 172.62 1th3 n PRO 346 N 0.89 0.00 -1.49 5.44 -0.02 -1.26 -4.48 135.00 134.08 1th3 n PRO 346 Ca -0.18 0.10 -0.60 0.00 -2.02 0.00 0.00 63.50 60.79 1th3 n PRO 346 Cb 0.56 -1.64 -0.10 0.00 -0.02 0.00 0.00 33.50 32.30 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 -0.94 1.36 -0.31 2.55 -0.08 -1.26 -4.75 116.55 113.11 1th3 n ASP 347 Ca 0.00 0.84 0.09 0.00 -1.51 0.00 0.00 54.79 54.21 1th3 n ASP 347 Cb 0.14 -0.99 0.31 0.00 2.34 0.00 0.00 41.12 42.92 1th3 n ASP 347 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1th3 h LYS 348 N 8.19 0.82 0.28 -0.67 1.57 -1.82 0.12 116.57 125.05 1th3 h LYS 348 Ca -0.28 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1th3 h LYS 348 Cb 1.37 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1th3 h LYS 348 CO 1.03 0.54 -0.13 1.98 -0.57 0.00 0.00 179.45 182.30 1th3 h MET 349 N 0.84 -0.36 0.00 3.15 4.05 -1.86 -3.16 114.93 117.60 1th3 h MET 349 Ca 0.46 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.91 1th3 h MET 349 Cb 0.57 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1th3 h MET 349 CO -0.22 -0.05 0.00 -0.11 0.23 0.00 0.00 176.91 176.75 1th3 n LEU 350 N -5.12 0.00 -0.15 3.39 7.94 -0.40 -2.38 117.00 120.27 1th3 n LEU 350 Ca -0.09 0.98 -0.01 0.00 -1.11 0.00 0.00 56.01 55.78 1th3 n LEU 350 Cb 0.25 -0.48 0.01 0.00 0.53 0.00 0.00 43.42 43.73 1th3 n LEU 350 CO 0.31 -0.48 0.23 0.00 -1.11 0.00 0.00 177.39 176.34 1th3 n GLN 351 N -2.29 -0.10 -0.20 1.96 1.13 0.27 0.35 117.38 118.50 1th3 n GLN 351 Ca 0.00 0.60 -0.01 0.00 -1.94 0.00 0.00 57.00 55.65 1th3 n GLN 351 Cb 0.00 -0.89 0.09 0.00 0.11 0.00 0.00 30.24 29.55 1th3 n GLN 351 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1th3 h GLY 352 N 0.00 0.82 1.86 1.08 0.00 -1.46 0.13 103.07 105.50 1th3 h GLY 352 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.34 1th3 h GLY 352 CO -0.39 0.02 0.05 3.21 0.00 0.00 0.00 176.54 179.44 1th3 h ARG 353 N 0.44 0.00 0.00 4.80 3.08 0.64 -0.99 114.38 122.36 1th3 h ARG 353 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1th3 h ARG 353 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1th3 h ARG 353 CO -0.26 0.00 0.03 -0.07 -1.07 0.00 0.00 179.97 178.59 1th3 h LEU 354 N 0.00 0.00 0.00 3.04 3.38 0.19 -3.18 115.31 118.74 1th3 h LEU 354 Ca 0.03 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 1th3 h LEU 354 Cb 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1th3 h LEU 354 CO -0.00 0.00 -1.81 0.33 0.09 0.00 0.00 178.44 177.05 1th3 n PHE 355 N -2.76 0.00 -0.15 1.13 -0.00 -0.41 -4.72 117.46 110.57 1th3 n PHE 355 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.39 1th3 n PHE 355 Cb 0.08 -0.53 0.02 0.00 -0.00 0.00 0.00 39.48 39.06 1th3 n PHE 355 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1th3 h ALA 356 N -0.37 0.21 0.23 3.13 0.00 -1.47 -2.42 119.26 118.56 1th3 h ALA 356 Ca -0.36 0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1th3 h ALA 356 Cb 1.37 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 1th3 h ALA 356 CO -0.17 -0.51 -0.30 1.88 0.00 0.00 0.00 179.25 180.15 1th3 h TYR 357 N -0.07 -0.81 -0.49 0.00 -1.99 -1.85 0.24 116.97 112.00 1th3 h TYR 357 Ca 0.23 0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.87 1th3 h TYR 357 Cb 0.42 0.33 -0.02 0.00 2.00 0.00 0.00 36.73 39.46 1th3 h TYR 357 CO -0.45 -0.42 -0.05 -1.35 -0.00 0.00 0.00 178.16 175.88 1th3 h PRO 358 N -0.59 0.91 -0.44 4.88 0.11 -1.84 -1.66 132.00 133.37 1th3 h PRO 358 Ca 0.00 -0.32 0.09 0.00 0.11 0.00 0.00 66.00 65.89 1th3 h PRO 358 Cb 0.57 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 31.52 1th3 h PRO 358 CO -0.11 0.96 -0.14 0.22 -0.21 0.00 0.00 178.00 178.73 1th3 h ASP 359 N 0.76 -0.50 0.54 -2.05 3.58 -1.16 -1.01 116.42 116.58 1th3 h ASP 359 Ca 0.13 0.14 -0.13 0.00 0.42 0.00 0.00 57.03 57.60 1th3 h ASP 359 Cb 0.59 0.31 -0.02 0.00 1.72 0.00 0.00 39.33 41.93 1th3 h ASP 359 CO 0.04 -0.17 -0.59 0.00 -2.88 0.00 0.00 179.24 175.63 1th3 h THR 360 N -0.04 1.42 -0.63 2.25 1.03 -0.43 -3.07 112.91 113.44 1th3 h THR 360 Ca 0.21 -2.01 -0.06 0.00 -0.01 0.00 0.00 66.41 64.55 1th3 h THR 360 Cb 0.36 2.07 -0.03 0.00 -1.07 0.00 0.00 68.15 69.48 1th3 h THR 360 CO -0.47 0.58 0.16 0.45 -0.01 0.00 0.00 175.52 176.23 1th3 h HIS 361 N 0.04 1.01 0.00 0.00 3.86 -0.24 0.34 115.15 120.15 1th3 h HIS 361 Ca -0.01 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 1th3 h HIS 361 Cb 1.05 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 29.23 1th3 h HIS 361 CO 0.00 0.83 -0.05 0.00 0.86 0.00 0.00 177.93 179.57 1th3 h ARG 362 N 0.93 0.00 0.00 2.45 3.08 -1.15 0.31 114.38 120.00 1th3 h ARG 362 Ca 0.20 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1th3 h ARG 362 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1th3 h ARG 362 CO -0.00 0.05 -0.54 1.25 -1.07 0.00 0.00 179.97 179.66 1th3 h HIS 363 N 0.00 0.00 -0.45 3.04 2.76 -1.23 -2.79 115.15 116.49 1th3 h HIS 363 Ca -0.00 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 1th3 h HIS 363 Cb 0.42 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 1th3 h HIS 363 CO 0.00 0.38 -0.06 -0.09 -1.30 0.00 0.00 177.93 176.86 1th3 h ARG 364 N -1.00 0.84 0.00 5.26 2.43 -0.33 -3.36 114.38 118.21 1th3 h ARG 364 Ca -0.07 -0.30 -0.30 0.00 -0.81 0.00 0.00 59.98 58.50 1th3 h ARG 364 Cb 0.61 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 1th3 h ARG 364 CO -0.04 0.93 -2.12 1.28 -1.51 0.00 0.00 179.97 178.50 1th3 n LEU 365 N -4.31 0.16 0.00 3.80 4.77 0.10 -4.44 117.00 117.08 1th3 n LEU 365 Ca -0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1th3 n LEU 365 Cb 0.35 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1th3 n LEU 365 CO 0.43 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1th3 n GLY 366 N 2.03 3.35 0.24 -0.72 0.00 -0.81 -4.75 105.19 104.53 1th3 n GLY 366 Ca -0.27 -1.91 0.02 0.00 0.00 0.00 0.00 46.02 43.86 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 0.13 -1.17 1.61 0.11 -1.85 -2.01 132.00 128.82 1th3 h PRO 367 Ca 0.00 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.82 1th3 h PRO 367 Cb 0.00 -0.03 -0.15 0.00 0.11 0.00 0.00 31.00 30.93 1th3 h PRO 367 CO 0.00 0.09 0.36 0.09 -0.21 0.00 0.00 178.00 178.33 1th3 n ASN 368 N -5.27 4.43 -0.05 -2.05 3.02 -1.26 -4.60 115.26 109.48 1th3 n ASN 368 Ca 0.10 -2.88 0.14 0.00 -0.03 0.00 0.00 54.58 51.91 1th3 n ASN 368 Cb 0.38 -0.80 0.55 0.00 -0.61 0.00 0.00 39.78 39.31 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 0.83 0.32 0.00 3.10 -0.00 -1.65 0.12 116.97 119.68 1th3 h TYR 369 Ca 0.31 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 59.05 1th3 h TYR 369 Cb 1.57 -0.10 0.00 0.00 -0.00 0.00 0.00 36.73 38.20 1th3 h TYR 369 CO 0.79 0.15 0.00 1.28 -0.00 0.00 0.00 178.16 180.38 1th3 n LEU 370 N -4.46 0.00 -0.67 0.10 4.77 -1.26 -0.93 117.00 114.55 1th3 n LEU 370 Ca 0.09 0.01 0.11 0.00 -0.03 0.00 0.00 56.01 56.20 1th3 n LEU 370 Cb 0.42 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1th3 n LEU 370 CO 0.34 -0.01 0.43 0.00 -1.33 0.00 0.00 177.39 176.83 1th3 n GLN 371 N -1.01 1.68 -2.57 3.23 6.02 0.03 -3.20 117.38 121.55 1th3 n GLN 371 Ca 0.08 -1.36 -0.42 0.00 -0.01 0.00 0.00 57.00 55.29 1th3 n GLN 371 Cb 0.04 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 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 -2.18 4.43 0.03 5.09 1.01 -0.11 -4.84 121.20 124.62 1th3 s ILE 372 Ca 0.22 1.77 -0.06 0.00 0.00 0.00 0.00 60.65 62.58 1th3 s ILE 372 Cb 0.18 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 1th3 s ILE 372 CO 0.43 0.15 0.61 -2.65 0.00 0.00 0.00 174.94 173.48 1th3 n PRO 373 N 3.78 -0.08 0.10 2.79 -0.02 -1.26 -0.52 135.00 139.79 1th3 n PRO 373 Ca 0.07 0.60 0.08 0.00 -2.02 0.00 0.00 63.50 62.23 1th3 n PRO 373 Cb 0.49 -0.90 0.40 0.00 -0.02 0.00 0.00 33.50 33.47 1th3 n PRO 373 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1th3 n VAL 374 N -3.29 1.26 0.25 -1.45 0.24 -1.26 -1.68 118.33 112.41 1th3 n VAL 374 Ca 0.00 0.56 0.10 0.00 -2.04 0.00 0.00 64.34 62.97 1th3 n VAL 374 Cb 0.05 -1.54 -0.14 0.00 -1.47 0.00 0.00 33.84 30.74 1th3 n VAL 374 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1th3 n ASN 375 N -2.00 0.54 -4.77 -1.34 3.02 0.33 -4.91 115.26 106.13 1th3 n ASN 375 Ca -0.00 -0.27 -0.40 0.00 -0.03 0.00 0.00 54.58 53.87 1th3 n ASN 375 Cb 0.06 1.66 -0.00 0.00 -0.61 0.00 0.00 39.78 40.89 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 0.37 3.61 0.31 0.00 -0.04 -1.26 -4.80 135.00 133.18 1th3 n PRO 377 Ca 0.02 -3.41 0.19 0.00 -0.04 0.00 0.00 63.50 60.26 1th3 n PRO 377 Cb 0.41 -2.94 0.94 0.00 -0.04 0.00 0.00 33.50 31.87 1th3 n PRO 377 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 1th3 h TYR 378 N 5.68 0.00 -0.54 0.54 -0.00 -1.90 -2.43 116.97 118.32 1th3 h TYR 378 Ca 0.44 0.00 -0.16 0.00 -0.00 0.00 0.00 58.73 59.01 1th3 h TYR 378 Cb 0.60 0.00 -0.10 0.00 -0.00 0.00 0.00 36.73 37.24 1th3 h TYR 378 CO 1.30 0.02 0.21 0.54 -0.00 0.00 0.00 178.16 180.22 1th3 n ARG 379 N -3.16 2.93 -1.98 0.10 1.74 -1.26 -4.86 116.66 110.17 1th3 n ARG 379 Ca -0.01 -2.18 0.00 0.00 -0.77 0.00 0.00 57.85 54.89 1th3 n ARG 379 Cb 0.19 -1.95 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 1th3 n ARG 379 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1th3 n ALA 380 N -0.05 0.00 -3.58 7.54 0.00 -0.91 -3.88 120.51 119.63 1th3 n ALA 380 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.45 1th3 n ALA 380 Cb 1.10 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.44 1th3 n ALA 380 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1th3 s ARG 381 N -1.97 1.13 -0.32 0.00 6.06 -1.26 -5.03 118.95 117.57 1th3 s ARG 381 Ca 0.00 -2.02 -0.28 0.00 -2.50 0.00 0.00 55.73 50.93 1th3 s ARG 381 Cb 0.00 -1.95 -0.03 0.00 0.06 0.00 0.00 34.95 33.03 1th3 s ARG 381 CO 0.00 -1.25 1.93 0.08 -2.50 0.00 0.00 175.30 173.56 1th3 s VAL 382 N 0.24 3.33 -0.03 7.11 1.01 -1.26 -4.93 120.40 125.87 1th3 s VAL 382 Ca 0.23 0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.54 1th3 s VAL 382 Cb -0.14 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.80 1th3 s VAL 382 CO -0.07 -0.31 0.03 0.00 0.00 0.00 0.00 175.10 174.75 1th3 s ALA 383 N 7.51 0.17 0.00 5.51 0.00 -1.26 -5.08 121.76 128.61 1th3 s ALA 383 Ca 0.85 0.25 0.00 0.00 0.00 0.00 0.00 51.96 53.06 1th3 s ALA 383 Cb -0.25 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.50 1th3 s ALA 383 CO 0.33 -0.21 0.00 0.27 0.00 0.00 0.00 175.76 176.15 1th3 n ASN 384 N 4.50 0.00 -1.61 0.00 0.23 -1.26 -4.97 115.26 112.15 1th3 n ASN 384 Ca -0.21 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.69 1th3 n ASN 384 Cb 0.50 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.28 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 1.96 -4.45 -2.53 4.01 -1.26 -4.91 117.16 109.98 1th3 n TYR 385 Ca 0.00 -2.02 -0.34 0.00 -0.16 0.00 0.00 57.90 55.38 1th3 n TYR 385 Cb 0.00 -0.34 -0.11 0.00 -0.31 0.00 0.00 39.34 38.59 1th3 n TYR 385 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1th3 s GLN 386 N -3.50 3.13 0.19 -0.72 -0.21 -1.26 -4.87 119.66 112.42 1th3 s GLN 386 Ca 0.47 -0.48 -0.00 0.00 0.02 0.00 0.00 55.36 55.38 1th3 s GLN 386 Cb 0.40 -2.78 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 1th3 s GLN 386 CO 0.01 0.56 0.09 1.03 -2.12 0.00 0.00 175.29 174.85 1th3 s ARG 387 N -0.49 1.17 3.73 2.91 1.81 -1.26 -4.92 118.95 121.90 1th3 s ARG 387 Ca 0.08 -1.60 0.00 0.00 -1.72 0.00 0.00 55.73 52.49 1th3 s ARG 387 Cb -0.12 0.08 0.00 0.00 -0.45 0.00 0.00 34.95 34.46 1th3 s ARG 387 CO 0.02 -0.31 0.00 -0.25 -0.68 0.00 0.00 175.30 174.08 1th3 n ASP 388 N -0.27 0.00 0.00 0.23 8.00 -1.26 -5.04 116.55 118.21 1th3 n ASP 388 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1th3 n ASP 388 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 0.40 3.71 0.44 0.00 -1.26 -4.79 105.19 103.69 1th3 n GLY 389 Ca 0.00 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.80 1.77 -1.65 1.61 0.04 -1.26 -3.36 135.00 128.34 1th3 s PRO 390 Ca 0.00 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 62.56 1th3 s PRO 390 Cb 0.00 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 32.87 1th3 s PRO 390 CO 0.00 -2.10 0.72 -1.33 0.04 0.00 0.00 177.00 174.33 1th3 n MET 391 N -3.25 -3.16 -2.13 4.56 2.81 -1.26 -4.35 117.12 110.34 1th3 n MET 391 Ca 0.13 0.37 -0.43 0.00 -1.81 0.00 0.00 57.70 55.96 1th3 n MET 391 Cb 0.51 -4.98 -0.03 0.00 -0.71 0.00 0.00 33.22 28.02 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 7.43 0.69 0.00 0.00 2.81 -1.26 -4.93 117.12 121.85 1th3 n MET 393 Ca 0.18 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1th3 n MET 393 Cb 0.45 -0.01 0.00 0.00 -0.71 0.00 0.00 33.22 32.95 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 -1.02 0.00 -0.22 0.03 2.81 -1.26 -3.47 117.12 113.99 1th3 n MET 394 Ca 0.00 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.92 1th3 n MET 394 Cb 0.01 0.00 0.04 0.00 -0.71 0.00 0.00 33.22 32.56 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 4.34 1.01 -1.68 7.83 4.64 -1.26 -4.97 116.55 126.46 1th3 n ASP 395 Ca 0.00 -2.20 -0.18 0.00 -1.38 0.00 0.00 54.79 51.04 1th3 n ASP 395 Cb 0.00 -0.22 -0.06 0.00 -1.04 0.00 0.00 41.12 39.80 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 -0.53 -4.75 -0.12 1.67 5.15 -1.23 0.57 115.26 116.03 1th3 n ASN 396 Ca 0.05 0.37 -0.01 0.00 -0.60 0.00 0.00 54.58 54.39 1th3 n ASN 396 Cb 0.59 -4.22 -0.01 0.00 -0.53 0.00 0.00 39.78 35.62 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 -2.31 -0.10 0.00 1.20 6.02 -1.26 -4.77 117.38 116.16 1th3 n GLN 397 Ca -0.18 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1th3 n GLN 397 Cb 0.60 -4.05 0.00 0.00 1.02 0.00 0.00 30.24 27.80 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 -2.58 0.70 0.18 1.08 0.00 0.19 -3.25 105.19 101.51 1th3 n GLY 398 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.05 3.75 -0.02 0.00 -1.26 -4.90 105.19 102.71 1th3 n GLY 399 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.64 2.77 0.43 4.61 0.00 -1.20 -4.94 121.76 121.79 1th3 s ALA 400 Ca 0.00 1.29 -0.26 0.00 0.00 0.00 0.00 51.96 53.00 1th3 s ALA 400 Cb 0.00 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 1th3 s ALA 400 CO 0.00 -1.36 1.34 -2.30 0.00 0.00 0.00 175.76 173.44 1th3 n PRO 401 N -1.11 2.08 -0.22 0.00 -0.02 -1.26 -4.94 135.00 129.52 1th3 n PRO 401 Ca 0.11 0.74 0.09 0.00 -2.02 0.00 0.00 63.50 62.42 1th3 n PRO 401 Cb 0.46 -2.48 0.19 0.00 -0.02 0.00 0.00 33.50 31.64 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 0.10 2.92 -3.97 2.55 2.04 -1.26 -4.90 115.26 112.73 1th3 n ASN 402 Ca 0.06 -3.08 -0.18 0.00 -0.44 0.00 0.00 54.58 50.94 1th3 n ASN 402 Cb 0.40 -0.48 -0.15 0.00 -2.53 0.00 0.00 39.78 37.02 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 -2.87 0.66 -0.09 -2.53 1.13 -1.26 -4.85 117.35 107.53 1th3 s TYR 403 Ca 0.36 -0.14 0.03 0.00 -1.41 0.00 0.00 57.07 55.92 1th3 s TYR 403 Cb 0.31 -0.46 -0.01 0.00 -1.10 0.00 0.00 41.96 40.70 1th3 s TYR 403 CO 0.05 -0.04 -0.21 -0.47 -2.51 0.00 0.00 175.55 172.37 1th3 s TYR 404 N 0.03 2.60 1.09 -3.49 5.04 -1.26 -3.93 117.35 117.43 1th3 s TYR 404 Ca -0.00 -0.77 -0.18 0.00 -2.44 0.00 0.00 57.07 53.68 1th3 s TYR 404 Cb -0.05 -1.71 0.25 0.00 0.35 0.00 0.00 41.96 40.81 1th3 s TYR 404 CO -0.00 -0.25 1.25 -1.25 -1.34 0.00 0.00 175.55 173.95 1th3 s PRO 405 N 0.10 -0.36 -0.01 4.97 0.04 -1.26 -5.22 135.00 133.27 1th3 s PRO 405 Ca -0.10 -0.36 -0.29 0.00 0.04 0.00 0.00 61.00 60.30 1th3 s PRO 405 Cb -0.16 -1.72 0.10 0.00 0.04 0.00 0.00 34.50 32.76 1th3 s PRO 405 CO 0.06 -3.09 0.96 0.54 0.04 0.00 0.00 177.00 175.51 1th3 s ASN 406 N -4.54 -0.29 -0.53 6.66 2.20 -1.25 -5.06 114.94 112.12 1th3 s ASN 406 Ca 0.74 -0.07 0.03 0.00 -0.94 0.00 0.00 52.86 52.62 1th3 s ASN 406 Cb -0.05 0.36 0.41 0.00 -2.00 0.00 0.00 41.25 39.96 1th3 s ASN 406 CO 0.54 -0.60 1.35 -1.20 -2.94 0.00 0.00 177.10 174.26 1th3 n SER 407 N -0.27 5.44 -1.71 3.54 7.64 -1.26 -4.65 113.62 122.35 1th3 n SER 407 Ca -0.07 -3.75 0.03 0.00 1.01 0.00 0.00 58.87 56.09 1th3 n SER 407 Cb 0.61 -0.61 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1th3 n SER 407 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1th3 n PHE 408 N -0.51 0.28 -1.77 1.43 3.01 -1.26 -5.00 117.46 113.63 1th3 n PHE 408 Ca 0.43 -0.90 -0.19 0.00 1.01 0.00 0.00 57.45 57.80 1th3 n PHE 408 Cb 0.57 -0.17 -0.06 0.00 -0.01 0.00 0.00 39.48 39.80 1th3 n PHE 408 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1th3 n SER 409 N 0.17 -5.37 -4.76 4.37 7.64 -1.26 -4.87 113.62 109.54 1th3 n SER 409 Ca 0.08 0.34 -0.31 0.00 1.01 0.00 0.00 58.87 59.99 1th3 n SER 409 Cb 1.05 -4.52 0.10 0.00 -1.01 0.00 0.00 64.21 59.83 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 -2.78 2.09 -0.16 -0.43 0.00 -1.26 -4.88 121.76 114.33 1th3 s ALA 410 Ca 0.00 0.19 -0.42 0.00 0.00 0.00 0.00 51.96 51.73 1th3 s ALA 410 Cb 0.00 -3.26 -0.20 0.00 0.00 0.00 0.00 23.12 19.66 1th3 s ALA 410 CO 0.00 -1.91 1.25 -2.30 0.00 0.00 0.00 175.76 172.80 1th3 n PRO 411 N -3.61 0.03 -4.02 0.00 -0.02 -1.26 -4.96 135.00 121.16 1th3 n PRO 411 Ca 0.09 0.01 -0.35 0.00 -2.02 0.00 0.00 63.50 61.23 1th3 n PRO 411 Cb 0.53 -1.51 -0.06 0.00 -0.02 0.00 0.00 33.50 32.44 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 1.01 3.27 0.67 -0.52 0.41 -1.26 -5.04 118.70 117.25 1th3 s GLU 412 Ca 0.96 -0.31 -0.11 0.00 -0.41 0.00 0.00 54.97 55.09 1th3 s GLU 412 Cb -1.34 -3.02 -0.00 0.00 -1.78 0.00 0.00 34.13 27.98 1th3 s GLU 412 CO 0.65 0.71 1.05 -3.38 -0.49 0.00 0.00 175.26 173.80 1th3 s HIS 413 N -1.12 3.17 -0.31 1.61 -3.43 -1.26 -5.04 115.29 108.91 1th3 s HIS 413 Ca 0.20 1.42 -0.07 0.00 -0.80 0.00 0.00 55.06 55.80 1th3 s HIS 413 Cb -0.12 -2.87 0.01 0.00 -1.43 0.00 0.00 32.58 28.17 1th3 s HIS 413 CO 0.10 -1.14 0.10 -1.14 -2.00 0.00 0.00 174.74 170.66 1th3 s GLN 414 N -4.93 3.00 0.33 -0.38 -0.44 -1.26 -4.98 119.66 111.00 1th3 s GLN 414 Ca 0.58 -0.92 0.01 0.00 -2.50 0.00 0.00 55.36 52.53 1th3 s GLN 414 Cb -0.14 -3.43 0.59 0.00 -1.64 0.00 0.00 33.01 28.39 1th3 s GLN 414 CO 0.52 -0.50 1.98 -1.00 0.50 0.00 0.00 175.29 176.79 1th3 h PRO 415 N 8.25 0.91 -0.80 1.67 0.13 -2.00 -2.57 132.00 137.59 1th3 h PRO 415 Ca -0.29 -0.05 0.19 0.00 -0.87 0.00 0.00 66.00 64.97 1th3 h PRO 415 Cb 1.12 -0.21 -0.14 0.00 0.13 0.00 0.00 31.00 31.90 1th3 h PRO 415 CO 0.61 0.60 -0.00 1.03 -0.23 0.00 0.00 178.00 180.01 1th3 h SER 416 N 0.94 -0.39 0.00 1.44 0.87 -2.04 0.65 113.55 115.01 1th3 h SER 416 Ca 0.29 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 61.06 1th3 h SER 416 Cb -0.01 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1th3 h SER 416 CO -0.08 -0.21 0.00 0.00 -0.53 0.00 0.00 176.83 176.02 1th3 n ALA 417 N -3.00 2.15 -1.76 6.23 0.00 -0.97 -4.84 120.51 118.32 1th3 n ALA 417 Ca 0.15 -0.03 -0.39 0.00 0.00 0.00 0.00 53.44 53.17 1th3 n ALA 417 Cb 0.51 -1.09 0.03 0.00 0.00 0.00 0.00 19.45 18.90 1th3 n ALA 417 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1th3 s LEU 418 N -1.28 3.96 0.47 0.00 0.20 0.23 -4.93 118.68 117.33 1th3 s LEU 418 Ca 0.08 2.81 -0.21 0.00 0.69 0.00 0.00 54.13 57.50 1th3 s LEU 418 Cb 0.04 -4.14 -0.09 0.00 -0.43 0.00 0.00 46.19 41.58 1th3 s LEU 418 CO 0.06 -1.39 1.04 -1.61 -0.29 0.00 0.00 176.35 174.16 1th3 s GLU 419 N -2.71 3.89 0.17 1.98 2.02 -1.26 -5.00 118.70 117.79 1th3 s GLU 419 Ca 0.67 1.38 -0.30 0.00 0.02 0.00 0.00 54.97 56.74 1th3 s GLU 419 Cb -0.41 -2.18 -0.08 0.00 0.10 0.00 0.00 34.13 31.55 1th3 s GLU 419 CO 0.51 -0.36 1.31 -1.58 0.02 0.00 0.00 175.26 175.16 1th3 s HIS 420 N -1.93 3.28 -0.05 1.61 5.65 -1.26 -5.00 115.29 117.59 1th3 s HIS 420 Ca 0.65 1.18 -0.15 0.00 0.25 0.00 0.00 55.06 56.99 1th3 s HIS 420 Cb -0.17 -3.60 -0.05 0.00 -1.18 0.00 0.00 32.58 27.58 1th3 s HIS 420 CO 0.21 -1.91 0.40 1.03 -0.65 0.00 0.00 174.74 173.82 1th3 s ARG 421 N 0.20 4.04 0.22 2.88 0.52 -1.26 -5.09 118.95 120.46 1th3 s ARG 421 Ca 0.58 0.36 0.09 0.00 -0.52 0.00 0.00 55.73 56.24 1th3 s ARG 421 Cb -0.36 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 1th3 s ARG 421 CO 0.36 0.52 -0.17 0.99 0.02 0.00 0.00 175.30 177.02 1th3 s THR 422 N -0.51 1.96 -0.11 0.02 2.01 -1.26 -5.10 115.64 112.65 1th3 s THR 422 Ca 0.23 -2.23 -0.04 0.00 0.31 0.00 0.00 61.69 59.96 1th3 s THR 422 Cb -0.16 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1th3 s THR 422 CO 0.11 -0.50 0.05 -2.28 -0.69 0.00 0.00 174.62 171.31 1th3 s HIS 423 N -2.71 3.30 -0.19 4.92 2.46 -1.26 -5.09 115.29 116.73 1th3 s HIS 423 Ca 0.24 0.27 -0.05 0.00 0.47 0.00 0.00 55.06 55.99 1th3 s HIS 423 Cb -0.03 -1.87 0.07 0.00 -0.13 0.00 0.00 32.58 30.62 1th3 s HIS 423 CO 0.09 0.50 0.13 -0.06 -2.47 0.00 0.00 174.74 172.93 1th3 s PHE 424 N -0.74 0.08 0.14 3.88 0.08 -1.26 -5.14 117.98 115.02 1th3 s PHE 424 Ca 0.12 -0.22 0.05 0.00 0.12 0.00 0.00 56.93 56.99 1th3 s PHE 424 Cb -0.12 -0.63 -0.04 0.00 -0.57 0.00 0.00 43.02 41.67 1th3 s PHE 424 CO 0.03 -0.56 0.10 0.45 -0.10 0.00 0.00 175.22 175.13 1th3 s SER 425 N 2.18 5.40 0.00 1.36 0.15 -1.26 -5.06 113.70 116.48 1th3 s SER 425 Ca 0.04 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1th3 s SER 425 Cb -0.16 -1.39 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1th3 s SER 425 CO -0.12 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1th3 n GLY 426 N -0.05 4.13 3.59 9.45 0.00 -1.26 -5.09 105.19 115.96 1th3 n GLY 426 Ca -0.09 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1th3 n GLY 426 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1th3 n ASP 427 N 0.00 0.91 -4.44 1.61 9.92 -1.26 -4.90 116.55 118.39 1th3 n ASP 427 Ca 0.00 1.00 -0.43 0.00 -0.53 0.00 0.00 54.79 54.83 1th3 n ASP 427 Cb 0.00 -1.32 -0.04 0.00 -0.64 0.00 0.00 41.12 39.12 1th3 n ASP 427 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1th3 s VAL 428 N -1.32 4.46 0.18 2.53 1.01 -1.26 -4.96 120.40 121.05 1th3 s VAL 428 Ca 0.64 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 1th3 s VAL 428 Cb -0.56 -4.61 0.03 0.00 0.00 0.00 0.00 36.38 31.24 1th3 s VAL 428 CO 0.56 -1.33 0.36 0.00 0.00 0.00 0.00 175.10 174.69 1th3 n GLN 429 N 7.32 0.52 -2.97 2.72 10.64 -1.26 -5.11 117.38 129.23 1th3 n GLN 429 Ca -0.05 -1.08 -0.44 0.00 -1.83 0.00 0.00 57.00 53.60 1th3 n GLN 429 Cb 0.45 1.31 -0.04 0.00 -0.86 0.00 0.00 30.24 31.10 1th3 n GLN 429 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1th3 s ARG 430 N -2.08 3.09 -0.07 2.61 0.52 -1.26 -5.03 118.95 116.74 1th3 s ARG 430 Ca 0.08 -1.08 -0.25 0.00 -0.52 0.00 0.00 55.73 53.96 1th3 s ARG 430 Cb -0.02 -4.26 -0.03 0.00 0.52 0.00 0.00 34.95 31.15 1th3 s ARG 430 CO 0.06 -1.70 0.79 -0.06 0.02 0.00 0.00 175.30 174.41 1th3 s PHE 431 N 3.42 3.57 0.00 -0.53 0.08 -1.26 -5.02 117.98 118.24 1th3 s PHE 431 Ca 0.18 1.35 -0.30 0.00 0.12 0.00 0.00 56.93 58.28 1th3 s PHE 431 Cb -0.20 -2.91 -0.05 0.00 -0.57 0.00 0.00 43.02 39.29 1th3 s PHE 431 CO 0.08 0.01 1.27 1.21 -0.10 0.00 0.00 175.22 177.68 1th3 s ASN 432 N 0.91 6.99 0.00 1.36 3.04 -1.26 -4.90 114.94 121.08 1th3 s ASN 432 Ca 0.41 1.98 0.00 0.00 0.04 0.00 0.00 52.86 55.29 1th3 s ASN 432 Cb -0.18 -2.57 0.00 0.00 -1.54 0.00 0.00 41.25 36.96 1th3 s ASN 432 CO 0.19 -0.59 0.46 -1.54 -3.04 0.00 0.00 177.10 172.58 1th3 n SER 433 N 4.83 0.90 0.32 -4.21 3.41 -1.26 -4.73 113.62 112.89 1th3 n SER 433 Ca 0.11 -1.08 0.11 0.00 -0.26 0.00 0.00 58.87 57.75 1th3 n SER 433 Cb 0.45 0.00 0.57 0.00 -0.26 0.00 0.00 64.21 64.98 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 0.00 1.57 -3.43 7.33 0.00 -1.99 -3.21 119.26 119.54 1th3 h ALA 434 Ca 0.00 -0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 1th3 h ALA 434 Cb 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.52 1th3 h ALA 434 CO 0.00 -0.56 -0.71 -0.80 0.00 0.00 0.00 179.25 177.19 1th3 s ASN 435 N -4.02 4.38 -0.03 0.00 0.02 -1.26 -4.80 114.94 109.22 1th3 s ASN 435 Ca -0.02 -2.35 0.22 0.00 -1.02 0.00 0.00 52.86 49.69 1th3 s ASN 435 Cb 0.06 -1.42 0.38 0.00 0.02 0.00 0.00 41.25 40.29 1th3 s ASN 435 CO 0.21 -0.33 1.15 0.47 0.02 0.00 0.00 177.10 178.61 1th3 n ASP 436 N 3.97 0.73 -1.80 -1.22 9.92 -1.21 -5.05 116.55 121.88 1th3 n ASP 436 Ca 0.04 -2.01 -0.02 0.00 -0.53 0.00 0.00 54.79 52.28 1th3 n ASP 436 Cb 0.38 -0.22 -0.01 0.00 -0.64 0.00 0.00 41.12 40.64 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 0.29 -2.06 -1.63 -2.24 2.03 -1.26 -4.91 116.55 106.77 1th3 n ASP 437 Ca 0.01 0.52 -0.16 0.00 0.52 0.00 0.00 54.79 55.68 1th3 n ASP 437 Cb 1.05 -2.52 0.12 0.00 -0.72 0.00 0.00 41.12 39.04 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 0.62 4.13 0.00 1.67 5.03 -1.26 -4.72 115.26 120.73 1th3 n ASN 438 Ca -0.12 -3.79 0.00 0.00 0.87 0.00 0.00 54.58 51.54 1th3 n ASN 438 Cb 0.19 -0.58 0.00 0.00 -1.02 0.00 0.00 39.78 38.37 1th3 n ASN 438 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 1th3 n VAL 439 N -0.95 0.00 0.00 2.41 0.24 -1.26 -4.60 118.33 114.18 1th3 n VAL 439 Ca 0.41 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.71 1th3 n VAL 439 Cb 0.93 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.16 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 -1.99 0.00 -0.34 3.34 -1.04 -1.26 0.18 114.28 113.16 1th3 n THR 440 Ca 0.00 0.94 0.18 0.00 -2.04 0.00 0.00 64.05 63.12 1th3 n THR 440 Cb 0.00 -1.35 0.39 0.00 -1.82 0.00 0.00 70.33 67.55 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 0.55 -0.52 -2.82 4.20 -1.94 0.13 115.11 114.71 1th3 h GLN 441 Ca 0.00 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.74 1th3 h GLN 441 Cb 0.00 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.60 1th3 h GLN 441 CO 0.00 0.37 0.21 0.28 -0.67 0.00 0.00 178.83 179.02 1th3 h VAL 442 N 0.57 0.86 -0.19 -0.54 2.07 -0.63 -1.15 116.25 117.24 1th3 h VAL 442 Ca 0.65 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 68.01 1th3 h VAL 442 Cb 1.23 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1th3 h VAL 442 CO -0.48 0.07 0.05 -0.09 0.02 0.00 0.00 177.57 177.14 1th3 h ARG 443 N 0.41 0.26 0.00 1.57 2.43 0.25 -1.93 114.38 117.37 1th3 h ARG 443 Ca 0.25 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1th3 h ARG 443 Cb 0.24 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1th3 h ARG 443 CO -0.23 0.24 0.00 1.15 -1.51 0.00 0.00 179.97 179.63 1th3 h THR 444 N 0.26 0.00 0.00 0.20 2.02 -0.88 -2.38 112.91 112.14 1th3 h THR 444 Ca 0.07 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 1th3 h THR 444 Cb 0.10 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1th3 h THR 444 CO -0.00 0.00 -0.45 0.15 0.37 0.00 0.00 175.52 175.58 1th3 h PHE 445 N 0.00 0.00 -0.84 3.16 3.57 -1.02 -1.62 116.94 120.19 1th3 h PHE 445 Ca 0.00 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.67 1th3 h PHE 445 Cb 0.53 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.16 1th3 h PHE 445 CO 0.00 0.70 0.39 -0.92 -2.23 0.00 0.00 178.31 176.25 1th3 h TYR 446 N -1.00 0.66 0.00 0.41 3.20 -1.43 1.13 116.97 119.93 1th3 h TYR 446 Ca -0.10 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1th3 h TYR 446 Cb 0.76 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1th3 h TYR 446 CO 0.06 0.07 0.00 1.28 -1.64 0.00 0.00 178.16 177.93 1th3 n LEU 447 N -4.97 0.48 -0.07 2.82 4.77 -0.90 -4.15 117.00 114.98 1th3 n LEU 447 Ca 0.18 0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 56.07 1th3 n LEU 447 Cb 0.51 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1th3 n LEU 447 CO 0.17 -0.04 0.50 0.50 -1.33 0.00 0.00 177.39 177.19 1th3 h LYS 448 N 0.00 -0.32 0.21 3.23 1.63 -1.61 -3.18 116.57 116.53 1th3 h LYS 448 Ca 0.00 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1th3 h LYS 448 Cb 0.00 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1th3 h LYS 448 CO 0.00 -0.22 -0.10 0.28 -3.45 0.00 0.00 179.45 175.96 1th3 h VAL 449 N -0.34 0.87 -3.54 2.00 2.07 -1.13 -3.44 116.25 112.74 1th3 h VAL 449 Ca 0.04 -0.66 -0.52 0.00 0.82 0.00 0.00 66.70 66.38 1th3 h VAL 449 Cb 0.45 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1th3 h VAL 449 CO -0.39 0.14 0.44 -0.76 0.02 0.00 0.00 177.57 177.03 1th3 s LEU 450 N -9.50 4.49 0.26 2.57 1.02 0.39 -5.03 118.68 112.87 1th3 s LEU 450 Ca -0.14 1.99 -0.00 0.00 0.02 0.00 0.00 54.13 55.99 1th3 s LEU 450 Cb 0.02 -3.60 -0.04 0.00 0.02 0.00 0.00 46.19 42.60 1th3 s LEU 450 CO 0.58 -0.18 0.45 0.54 0.02 0.00 0.00 176.35 177.76 1th3 s ASN 451 N -0.01 6.36 0.56 2.29 4.22 -1.26 -4.42 114.94 122.68 1th3 s ASN 451 Ca 0.49 0.41 0.44 0.00 -2.14 0.00 0.00 52.86 52.06 1th3 s ASN 451 Cb -0.27 -2.01 1.59 0.00 1.28 0.00 0.00 41.25 41.84 1th3 s ASN 451 CO 0.33 -0.14 1.61 -0.08 -2.04 0.00 0.00 177.10 176.78 1th3 h GLU 452 N 1.49 0.00 0.54 3.55 4.57 -1.92 0.03 114.58 122.83 1th3 h GLU 452 Ca -0.49 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.66 1th3 h GLU 452 Cb 1.20 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1th3 h GLU 452 CO 0.65 0.00 -0.26 0.93 -1.18 0.00 0.00 179.01 179.15 1th3 h GLU 453 N 0.00 -0.70 -0.58 1.92 3.07 -2.01 -2.82 114.58 113.47 1th3 h GLU 453 Ca 0.78 0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 59.61 1th3 h GLU 453 Cb 3.25 0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 31.29 1th3 h GLU 453 CO -0.01 -0.46 0.07 1.96 -1.40 0.00 0.00 179.01 179.18 1th3 h GLN 454 N -1.19 0.94 -0.61 2.33 4.20 -1.66 -2.36 115.11 116.76 1th3 h GLN 454 Ca -0.07 -0.24 0.18 0.00 0.06 0.00 0.00 58.65 58.57 1th3 h GLN 454 Cb 0.56 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1th3 h GLN 454 CO 0.12 0.88 0.44 -0.09 -0.67 0.00 0.00 178.83 179.52 1th3 h ARG 455 N 0.88 0.00 -0.10 1.46 2.43 -1.11 0.13 114.38 118.07 1th3 h ARG 455 Ca 0.18 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 1th3 h ARG 455 Cb 0.42 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1th3 h ARG 455 CO 0.01 0.00 -0.48 -0.22 -1.51 0.00 0.00 179.97 177.77 1th3 h LYS 456 N 0.00 0.51 0.00 0.20 3.64 -1.15 -3.05 116.57 116.71 1th3 h LYS 456 Ca 0.29 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 1th3 h LYS 456 Cb 1.18 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 1th3 h LYS 456 CO -0.00 1.04 -0.22 0.00 -2.27 0.00 0.00 179.45 178.00 1th3 h ARG 457 N 0.10 0.00 0.44 1.90 3.08 -1.22 -2.47 114.38 116.21 1th3 h ARG 457 Ca -0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1th3 h ARG 457 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1th3 h ARG 457 CO 0.10 0.22 -0.21 1.25 -1.07 0.00 0.00 179.97 180.25 1th3 h LEU 458 N 0.00 -0.51 -1.07 3.04 5.85 -0.84 0.42 115.31 122.21 1th3 h LEU 458 Ca -0.00 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1th3 h LEU 458 Cb 1.10 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 1th3 h LEU 458 CO 0.03 -0.14 0.62 0.00 -0.34 0.00 0.00 178.44 178.61 1th3 h GLU 460 N 1.18 0.62 -0.59 0.00 5.08 -1.33 -2.16 114.58 117.37 1th3 h GLU 460 Ca 0.39 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1th3 h GLU 460 Cb 0.05 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1th3 h GLU 460 CO -0.13 0.65 0.12 -0.91 -1.00 0.00 0.00 179.01 177.74 1th3 h ASN 461 N 0.48 0.89 0.11 1.42 -0.26 0.44 -0.00 115.58 118.66 1th3 h ASN 461 Ca 0.12 -0.18 -0.01 0.00 -0.56 0.00 0.00 56.30 55.67 1th3 h ASN 461 Cb 0.31 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 1th3 h ASN 461 CO 0.00 0.88 -0.05 0.40 -1.06 0.00 0.00 177.43 177.60 1th3 h ILE 462 N 0.90 1.04 -0.78 2.81 2.04 -1.10 -3.05 117.51 119.37 1th3 h ILE 462 Ca 0.19 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1th3 h ILE 462 Cb 0.36 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1th3 h ILE 462 CO 0.01 0.15 0.42 0.00 0.00 0.00 0.00 178.15 178.73 1th3 h ALA 463 N 0.41 1.28 -0.27 1.87 0.00 -1.32 0.43 119.26 121.65 1th3 h ALA 463 Ca -0.02 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1th3 h ALA 463 Cb 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1th3 h ALA 463 CO 0.03 0.59 0.27 0.78 0.00 0.00 0.00 179.25 180.91 1th3 h GLY 464 N 1.12 0.00 0.00 0.00 0.00 -0.89 0.17 103.07 103.47 1th3 h GLY 464 Ca 0.27 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.39 1th3 h GLY 464 CO -0.04 0.00 -1.68 1.57 0.00 0.00 0.00 176.54 176.38 1th3 n HIS 465 N -3.90 0.00 0.26 5.60 -0.00 -0.75 -4.51 115.22 111.92 1th3 n HIS 465 Ca 0.04 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.93 1th3 n HIS 465 Cb 0.41 -0.69 0.82 0.00 -0.00 0.00 0.00 29.99 30.53 1th3 n HIS 465 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1th3 h LEU 466 N -0.92 0.00 0.00 0.27 5.85 -0.10 -2.26 115.31 118.15 1th3 h LEU 466 Ca -0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1th3 h LEU 466 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1th3 h LEU 466 CO -0.20 0.00 0.00 2.29 -0.34 0.00 0.00 178.44 180.19 1th3 n LYS 467 N -3.20 0.37 0.00 1.25 -0.00 0.04 -2.20 118.16 114.41 1th3 n LYS 467 Ca 0.01 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.39 1th3 n LYS 467 Cb 0.42 -1.34 0.04 0.00 -0.00 0.00 0.00 35.03 34.15 1th3 n LYS 467 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1th3 n ASP 468 N -0.84 2.03 -4.79 -5.58 8.00 -0.85 -4.89 116.55 109.63 1th3 n ASP 468 Ca 0.06 -1.52 -0.33 0.00 0.71 0.00 0.00 54.79 53.71 1th3 n ASP 468 Cb 0.03 0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.22 1th3 n ASP 468 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th3 s ALA 469 N -1.47 3.60 0.40 2.24 0.00 -0.93 -4.81 121.76 120.79 1th3 s ALA 469 Ca 0.16 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 51.11 1th3 s ALA 469 Cb 0.13 -1.59 -0.12 0.00 0.00 0.00 0.00 23.12 21.53 1th3 s ALA 469 CO 0.26 0.69 -0.11 1.04 0.00 0.00 0.00 175.76 177.65 1th3 n GLN 470 N 1.16 0.00 -0.07 0.00 6.02 -1.26 -4.48 117.38 118.75 1th3 n GLN 470 Ca -0.13 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.77 1th3 n GLN 470 Cb 0.53 -0.79 -0.03 0.00 1.02 0.00 0.00 30.24 30.97 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 -0.01 0.32 -1.80 1.08 4.07 -1.97 -2.00 115.31 115.00 1th3 h LEU 471 Ca -0.33 -0.05 0.12 0.00 0.08 0.00 0.00 57.88 57.70 1th3 h LEU 471 Cb 1.15 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 1th3 h LEU 471 CO 0.33 0.27 0.54 2.19 -1.08 0.00 0.00 178.44 180.70 1th3 h PHE 472 N 0.33 0.00 0.00 1.13 -5.15 -2.01 0.13 116.94 111.38 1th3 h PHE 472 Ca 0.09 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 57.76 1th3 h PHE 472 Cb 0.01 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.17 1th3 h PHE 472 CO -0.05 0.00 -0.61 0.82 -2.00 0.00 0.00 178.31 176.47 1th3 h ILE 473 N 0.00 1.10 -0.96 0.88 2.04 -1.71 -3.29 117.51 115.57 1th3 h ILE 473 Ca 0.19 -2.05 0.30 0.00 1.00 0.00 0.00 64.86 64.30 1th3 h ILE 473 Cb 1.27 2.30 -0.15 0.00 -0.74 0.00 0.00 36.82 39.50 1th3 h ILE 473 CO -0.00 0.37 0.41 1.56 0.00 0.00 0.00 178.15 180.49 1th3 h GLN 474 N -1.00 0.22 0.59 2.37 4.20 -0.12 0.23 115.11 121.60 1th3 h GLN 474 Ca -0.16 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 1th3 h GLN 474 Cb 1.01 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 1th3 h GLN 474 CO -0.10 0.15 -0.34 0.87 -0.67 0.00 0.00 178.83 178.75 1th3 h LYS 475 N 0.23 -0.83 -0.80 1.46 1.57 -1.23 0.13 116.57 117.10 1th3 h LYS 475 Ca 0.67 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.58 1th3 h LYS 475 Cb 1.51 0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.95 1th3 h LYS 475 CO -0.66 -0.55 0.52 0.87 -0.57 0.00 0.00 179.45 179.06 1th3 h LYS 476 N -0.86 0.81 -0.10 3.15 1.57 -0.88 0.34 116.57 120.59 1th3 h LYS 476 Ca -0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1th3 h LYS 476 Cb 0.69 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1th3 h LYS 476 CO 0.09 0.53 0.01 0.00 -0.57 0.00 0.00 179.45 179.51 1th3 h ALA 477 N 1.58 0.13 -0.01 3.86 0.00 -0.30 -2.61 119.26 121.91 1th3 h ALA 477 Ca 0.35 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1th3 h ALA 477 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1th3 h ALA 477 CO -0.13 -0.19 -0.42 0.28 0.00 0.00 0.00 179.25 178.78 1th3 h VAL 478 N -0.09 1.31 -0.61 0.00 2.07 -0.02 -2.92 116.25 115.99 1th3 h VAL 478 Ca 0.03 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.07 1th3 h VAL 478 Cb 0.33 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1th3 h VAL 478 CO 0.00 0.42 0.33 0.50 0.02 0.00 0.00 177.57 178.85 1th3 h LYS 479 N 0.02 0.86 -0.35 1.57 1.63 -0.21 -0.51 116.57 119.57 1th3 h LYS 479 Ca -0.00 -0.10 -0.17 0.00 -0.85 0.00 0.00 60.65 59.53 1th3 h LYS 479 Cb 0.76 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1th3 h LYS 479 CO 0.06 0.65 -0.43 -0.91 -3.45 0.00 0.00 179.45 175.37 1th3 h ASN 480 N 0.83 0.99 -0.18 4.20 -0.26 -1.35 -1.39 115.58 118.42 1th3 h ASN 480 Ca 0.21 -0.49 -0.00 0.00 -0.56 0.00 0.00 56.30 55.46 1th3 h ASN 480 Cb 0.05 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.02 1th3 h ASN 480 CO -0.03 1.28 0.10 -0.26 -1.06 0.00 0.00 177.43 177.46 1th3 h PHE 481 N 0.73 0.25 0.00 1.19 0.05 -1.32 -0.08 116.94 117.75 1th3 h PHE 481 Ca 0.05 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.83 1th3 h PHE 481 Cb 1.03 -0.08 0.00 0.00 2.00 0.00 0.00 35.95 38.90 1th3 h PHE 481 CO 0.07 0.23 0.00 0.77 -0.18 0.00 0.00 178.31 179.20 1th3 h SER 482 N 0.19 0.00 1.06 2.17 0.02 -1.07 0.36 113.55 116.28 1th3 h SER 482 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1th3 h SER 482 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1th3 h SER 482 CO -0.01 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.15 1th3 n ASP 483 N -2.89 0.55 -0.08 3.07 10.43 -0.10 -2.63 116.55 124.89 1th3 n ASP 483 Ca -0.00 0.58 -0.22 0.00 2.57 0.00 0.00 54.79 57.72 1th3 n ASP 483 Cb 0.21 -0.72 -0.12 0.00 1.84 0.00 0.00 41.12 42.33 1th3 n ASP 483 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1th3 n VAL 484 N -2.05 1.59 -3.47 2.53 0.31 0.11 -4.97 118.33 112.38 1th3 n VAL 484 Ca 0.04 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1th3 n VAL 484 Cb 0.33 -1.95 -0.05 0.00 -0.91 0.00 0.00 33.84 31.26 1th3 n VAL 484 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1th3 s HIS 485 N -2.42 -0.72 0.12 3.52 2.46 -0.43 -4.70 115.29 113.12 1th3 s HIS 485 Ca -0.28 1.28 -0.07 0.00 0.47 0.00 0.00 55.06 56.46 1th3 s HIS 485 Cb 0.07 0.43 0.15 0.00 -0.13 0.00 0.00 32.58 33.10 1th3 s HIS 485 CO 0.62 -0.36 0.76 -2.30 -2.47 0.00 0.00 174.74 171.00 1th3 n PRO 486 N 4.77 -0.09 0.00 2.88 -0.01 -1.12 0.40 135.00 141.83 1th3 n PRO 486 Ca -0.11 0.76 -0.06 0.00 -0.01 0.00 0.00 63.50 64.07 1th3 n PRO 486 Cb 0.53 -1.13 0.13 0.00 -0.01 0.00 0.00 33.50 33.02 1th3 n PRO 486 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1th3 h GLU 487 N 0.00 0.52 -0.15 -0.52 4.81 -1.93 0.85 114.58 118.17 1th3 h GLU 487 Ca 0.19 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1th3 h GLU 487 Cb 0.31 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.66 1th3 h GLU 487 CO -0.49 0.82 -0.26 -0.92 -0.73 0.00 0.00 179.01 177.43 1th3 h TYR 488 N 0.43 -0.80 -0.36 0.92 5.03 -0.34 1.95 116.97 123.81 1th3 h TYR 488 Ca 0.04 0.04 -0.15 0.00 2.58 0.00 0.00 58.73 61.24 1th3 h TYR 488 Cb 0.87 0.37 -0.01 0.00 1.55 0.00 0.00 36.73 39.51 1th3 h TYR 488 CO 0.03 -0.24 -0.35 0.78 -1.32 0.00 0.00 178.16 177.06 1th3 h GLY 489 N -0.22 0.91 0.17 1.82 0.00 -1.60 -2.14 103.07 102.00 1th3 h GLY 489 Ca 0.03 -0.89 0.08 0.00 0.00 0.00 0.00 47.33 46.55 1th3 h GLY 489 CO -0.26 0.81 -0.10 0.23 0.00 0.00 0.00 176.54 177.22 1th3 h SER 490 N 0.69 -0.39 -0.38 0.19 0.87 0.03 0.74 113.55 115.31 1th3 h SER 490 Ca 0.07 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1th3 h SER 490 Cb 0.92 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 1th3 h SER 490 CO 0.08 -0.14 0.13 0.03 -0.53 0.00 0.00 176.83 176.41 1th3 h ARG 491 N -0.00 0.58 0.04 2.24 3.08 0.32 -2.31 114.38 118.33 1th3 h ARG 491 Ca 0.20 -0.12 0.03 0.00 0.07 0.00 0.00 59.98 60.16 1th3 h ARG 491 Cb 0.30 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1th3 h ARG 491 CO -0.43 0.58 -0.26 0.82 -1.07 0.00 0.00 179.97 179.61 1th3 h ILE 492 N 0.47 0.41 -0.75 2.04 1.08 -0.57 -2.22 117.51 117.97 1th3 h ILE 492 Ca 0.12 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.76 1th3 h ILE 492 Cb 0.23 0.41 -0.12 0.00 -3.07 0.00 0.00 36.82 34.27 1th3 h ILE 492 CO -0.01 0.00 0.07 -0.61 -0.69 0.00 0.00 178.15 176.92 1th3 h GLN 493 N -0.43 0.15 0.25 2.37 5.75 0.66 0.34 115.11 124.21 1th3 h GLN 493 Ca 0.05 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1th3 h GLN 493 Cb 0.49 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 1th3 h GLN 493 CO -0.20 0.10 -0.26 0.00 -2.65 0.00 0.00 178.83 175.82 1th3 h ALA 494 N 1.67 -0.53 -0.39 3.38 0.00 -0.92 -1.66 119.26 120.82 1th3 h ALA 494 Ca 0.42 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.33 1th3 h ALA 494 Cb 0.74 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.83 1th3 h ALA 494 CO -0.61 -0.83 -0.05 -0.07 0.00 0.00 0.00 179.25 177.69 1th3 h LEU 495 N -0.54 -0.26 -0.54 0.00 3.38 -0.45 -2.56 115.31 114.33 1th3 h LEU 495 Ca -0.00 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1th3 h LEU 495 Cb 0.50 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.37 1th3 h LEU 495 CO -0.06 -0.09 0.02 -0.07 0.09 0.00 0.00 178.44 178.33 1th3 h LEU 496 N 0.05 -0.19 -1.83 1.67 -0.00 -0.00 -2.22 115.31 112.79 1th3 h LEU 496 Ca 0.19 0.12 -0.03 0.00 -0.00 0.00 0.00 57.88 58.17 1th3 h LEU 496 Cb 0.28 0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1th3 h LEU 496 CO -0.36 -0.07 -0.12 0.44 -0.00 0.00 0.00 178.44 178.33 1th3 h ASP 497 N 0.14 0.00 -0.00 -0.43 3.45 -0.90 -2.07 116.42 116.61 1th3 h ASP 497 Ca 0.28 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.49 1th3 h ASP 497 Cb 0.42 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.21 1th3 h ASP 497 CO -0.44 0.12 -0.95 0.50 -1.57 0.00 0.00 179.24 176.90 1th3 h LYS 498 N 0.00 0.65 -0.41 3.56 3.64 -1.22 -3.22 116.57 119.57 1th3 h LYS 498 Ca -0.00 -0.70 -0.04 0.00 -1.27 0.00 0.00 60.65 58.64 1th3 h LYS 498 Cb 0.24 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1th3 h LYS 498 CO 0.02 1.29 0.08 1.88 -2.27 0.00 0.00 179.45 180.44 1th3 h TYR 499 N 0.30 0.62 0.00 1.91 0.05 -1.13 -2.12 116.97 116.61 1th3 h TYR 499 Ca -0.12 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.61 1th3 h TYR 499 Cb 1.62 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 39.17 1th3 h TYR 499 CO 0.11 0.55 0.00 0.09 -1.05 0.00 0.00 178.16 177.87 1th3 n ASN 500 N -4.31 3.80 0.00 3.88 3.02 -0.81 -5.13 115.26 115.72 1th3 n ASN 500 Ca 0.02 -2.08 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 1th3 n ASN 500 Cb 0.21 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1th3 n ASN 500 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80