#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th2 n ARG 4 N 0.00 3.50 -2.55 3.52 3.00 -1.26 -5.09 116.66 117.77 1th2 n ARG 4 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.49 1th2 n ARG 4 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 1th2 n ARG 4 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1th2 s ASP 5 N -0.23 6.60 0.49 0.55 -4.77 -1.26 -4.93 116.67 113.13 1th2 s ASP 5 Ca 0.00 1.98 0.31 0.00 -3.30 0.00 0.00 52.55 51.54 1th2 s ASP 5 Cb 0.00 -2.57 1.41 0.00 -1.09 0.00 0.00 42.92 40.67 1th2 s ASP 5 CO 0.00 -0.60 1.77 -0.65 0.70 0.00 0.00 175.17 176.39 1th2 h PRO 6 N 2.11 0.12 -0.49 2.11 0.11 -1.96 -0.25 132.00 133.75 1th2 h PRO 6 Ca -0.49 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1th2 h PRO 6 Cb 1.22 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1th2 h PRO 6 CO 0.61 0.08 -0.05 0.00 -0.21 0.00 0.00 178.00 178.43 1th2 h ALA 7 N 1.47 0.99 -0.33 -0.75 0.00 -1.92 -3.14 119.26 115.58 1th2 h ALA 7 Ca 0.61 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1th2 h ALA 7 Cb 2.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 1th2 h ALA 7 CO -0.13 0.61 -0.03 0.77 0.00 0.00 0.00 179.25 180.47 1th2 h SER 8 N 0.78 0.59 0.00 0.00 0.02 -1.41 -3.04 113.55 110.49 1th2 h SER 8 Ca 0.14 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1th2 h SER 8 Cb 0.54 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1th2 h SER 8 CO 0.03 0.78 0.00 0.47 -1.14 0.00 0.00 176.83 176.97 1th2 n ASP 9 N -4.50 0.00 -0.30 3.07 8.00 -1.18 -4.47 116.55 117.16 1th2 n ASP 9 Ca -0.02 -1.58 0.06 0.00 0.71 0.00 0.00 54.79 53.96 1th2 n ASP 9 Cb 0.29 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.52 1th2 n ASP 9 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1th2 n GLN 10 N -0.56 -0.08 0.08 -1.24 0.00 -1.15 0.50 117.38 114.94 1th2 n GLN 10 Ca 0.03 1.32 -0.07 0.00 -0.00 0.00 0.00 57.00 58.28 1th2 n GLN 10 Cb 0.01 -1.98 0.07 0.00 0.00 0.00 0.00 30.24 28.33 1th2 n GLN 10 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1th2 h MET 11 N 0.00 0.22 0.42 3.69 2.86 -1.89 -3.12 114.93 117.12 1th2 h MET 11 Ca 0.42 -0.19 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1th2 h MET 11 Cb 0.66 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1th2 h MET 11 CO -0.87 0.84 -0.20 -0.22 1.06 0.00 0.00 176.91 177.52 1th2 h LYS 12 N 0.15 -0.55 0.00 1.72 3.64 -0.26 -0.21 116.57 121.06 1th2 h LYS 12 Ca -0.02 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1th2 h LYS 12 Cb 1.27 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1th2 h LYS 12 CO 0.11 -0.37 0.10 0.72 -2.27 0.00 0.00 179.45 177.74 1th2 n HIS 13 N -3.55 0.37 -0.03 1.91 8.25 -0.64 0.49 115.22 122.01 1th2 n HIS 13 Ca -0.07 0.19 -0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1th2 n HIS 13 Cb 0.22 -0.73 -0.00 0.00 1.12 0.00 0.00 29.99 30.61 1th2 n HIS 13 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 1th2 h TRP 14 N 0.00 0.00 -0.90 4.41 7.01 -1.34 0.50 115.95 125.63 1th2 h TRP 14 Ca 0.00 0.00 0.21 0.00 2.11 0.00 0.00 58.89 61.21 1th2 h TRP 14 Cb 0.20 0.00 -0.12 0.00 -2.10 0.00 0.00 29.16 27.14 1th2 h TRP 14 CO 0.00 0.00 0.42 -0.22 -2.79 0.00 0.00 178.44 175.85 1th2 h LYS 15 N -0.62 0.45 -0.53 2.65 3.64 -0.18 0.71 116.57 122.69 1th2 h LYS 15 Ca 0.00 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 1th2 h LYS 15 Cb 0.04 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1th2 h LYS 15 CO 0.00 0.30 0.06 0.93 -2.27 0.00 0.00 179.45 178.47 1th2 h GLU 16 N 0.47 0.85 -0.77 1.90 5.08 -0.03 -3.01 114.58 119.06 1th2 h GLU 16 Ca 0.55 -0.21 0.06 0.00 -1.00 0.00 0.00 59.36 58.75 1th2 h GLU 16 Cb 0.98 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 1th2 h GLU 16 CO -0.49 0.81 0.46 0.37 -1.00 0.00 0.00 179.01 179.17 1th2 h GLN 17 N 0.80 0.83 -3.22 2.33 4.15 0.56 -3.19 115.11 117.36 1th2 h GLN 17 Ca 0.16 -0.05 -0.74 0.00 0.77 0.00 0.00 58.65 58.79 1th2 h GLN 17 Cb 0.40 -0.19 -0.32 0.00 0.21 0.00 0.00 27.48 27.58 1th2 h GLN 17 CO 0.01 0.55 0.19 2.89 -1.93 0.00 0.00 178.83 180.54 1th2 n ARG 18 N -4.69 3.24 -0.28 1.69 1.85 -0.80 -4.82 116.66 112.85 1th2 n ARG 18 Ca 0.10 -4.50 -0.04 0.00 -1.00 0.00 0.00 57.85 52.41 1th2 n ARG 18 Cb 0.17 -2.46 0.08 0.00 -1.05 0.00 0.00 32.46 29.19 1th2 n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1th2 h ALA 19 N 5.93 1.00 0.00 2.89 0.00 -1.68 -3.36 119.26 124.04 1th2 h ALA 19 Ca 0.18 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1th2 h ALA 19 Cb 0.78 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1th2 h ALA 19 CO 0.99 0.37 -0.06 0.00 0.00 0.00 0.00 179.25 180.55 1th2 h ALA 20 N 1.30 0.01 -2.59 0.00 0.00 -1.90 -3.44 119.26 112.63 1th2 h ALA 20 Ca 0.29 -0.29 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 1th2 h ALA 20 Cb -0.08 0.04 0.05 0.00 0.00 0.00 0.00 17.79 17.80 1th2 h ALA 20 CO -0.08 0.04 1.06 -1.14 0.00 0.00 0.00 179.25 179.13 1th2 s GLN 21 N -1.92 4.13 0.32 0.00 0.74 -1.26 -5.04 119.66 116.64 1th2 s GLN 21 Ca -0.10 2.60 -0.23 0.00 0.05 0.00 0.00 55.36 57.67 1th2 s GLN 21 Cb -0.01 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.69 1th2 s GLN 21 CO 0.35 -0.79 0.89 0.15 -0.55 0.00 0.00 175.29 175.34 1th2 s LYS 22 N 1.88 4.42 0.58 1.67 3.01 -1.26 -4.99 119.74 125.04 1th2 s LYS 22 Ca 0.77 1.16 -0.18 0.00 -1.01 0.00 0.00 55.97 56.72 1th2 s LYS 22 Cb -0.48 -2.68 -0.07 0.00 -1.01 0.00 0.00 37.83 33.58 1th2 s LYS 22 CO 0.34 0.24 0.66 -2.30 0.51 0.00 0.00 175.35 174.80 1th2 n PRO 23 N 0.32 0.62 -1.99 -1.68 -0.02 -1.26 -4.99 135.00 126.01 1th2 n PRO 23 Ca 0.02 0.24 -0.28 0.00 -2.02 0.00 0.00 63.50 61.46 1th2 n PRO 23 Cb 0.51 -1.84 0.10 0.00 -0.02 0.00 0.00 33.50 32.24 1th2 n PRO 23 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1th2 s ASP 24 N -1.20 4.41 -0.01 2.55 1.01 -1.26 -5.04 116.67 117.13 1th2 s ASP 24 Ca 0.71 0.62 -0.19 0.00 0.71 0.00 0.00 52.55 54.40 1th2 s ASP 24 Cb -0.44 -1.10 -0.05 0.00 1.01 0.00 0.00 42.92 42.34 1th2 s ASP 24 CO 0.52 -1.93 0.55 -0.69 0.21 0.00 0.00 175.17 173.83 1th2 s VAL 25 N -3.53 4.95 -0.09 -1.27 1.01 -1.26 -5.01 120.40 115.19 1th2 s VAL 25 Ca 0.63 1.15 -0.29 0.00 0.00 0.00 0.00 61.98 63.46 1th2 s VAL 25 Cb -0.10 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 1th2 s VAL 25 CO 0.48 0.44 1.57 -0.22 0.00 0.00 0.00 175.10 177.37 1th2 s LEU 26 N -0.26 4.25 0.36 3.92 2.96 -1.26 -4.93 118.68 123.72 1th2 s LEU 26 Ca 0.29 2.06 0.05 0.00 -0.22 0.00 0.00 54.13 56.31 1th2 s LEU 26 Cb -0.18 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 42.91 1th2 s LEU 26 CO 0.16 -0.93 0.05 0.42 -1.32 0.00 0.00 176.35 174.73 1th2 s THR 27 N 4.05 1.40 0.00 3.68 -4.23 -1.26 0.75 115.64 120.02 1th2 s THR 27 Ca 0.69 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1th2 s THR 27 Cb -0.30 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.72 1th2 s THR 27 CO 0.26 0.00 0.00 0.35 -0.54 0.00 0.00 174.62 174.69 1th2 n THR 28 N -0.79 0.00 -0.13 3.99 -2.24 0.11 -4.86 114.28 110.36 1th2 n THR 28 Ca -0.04 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.64 1th2 n THR 28 Cb 0.67 -1.91 0.03 0.00 -2.10 0.00 0.00 70.33 67.02 1th2 n THR 28 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1th2 h GLY 29 N 0.00 0.98 1.54 3.38 0.00 -1.94 -2.96 103.07 104.07 1th2 h GLY 29 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.46 1th2 h GLY 29 CO 0.00 0.80 0.00 0.61 0.00 0.00 0.00 176.54 177.95 1th2 n GLY 30 N -0.12 -1.00 0.00 4.60 0.00 -1.26 -4.88 105.19 102.53 1th2 n GLY 30 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1th2 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th2 n GLY 31 N 0.58 1.18 3.67 -0.02 0.00 -1.12 -5.04 105.19 104.45 1th2 n GLY 31 Ca 0.11 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.65 1th2 n GLY 31 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1th2 n ASN 32 N 0.00 3.19 -4.76 1.61 5.03 -1.26 -4.55 115.26 114.51 1th2 n ASN 32 Ca 0.00 1.02 -0.41 0.00 0.87 0.00 0.00 54.58 56.07 1th2 n ASN 32 Cb 0.00 -1.37 -0.02 0.00 -1.02 0.00 0.00 39.78 37.37 1th2 n ASN 32 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 1th2 s PRO 33 N 2.73 4.27 -0.22 3.52 0.02 -1.26 -0.71 135.00 143.34 1th2 s PRO 33 Ca 0.88 2.33 -0.15 0.00 0.02 0.00 0.00 61.00 64.08 1th2 s PRO 33 Cb -0.72 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 30.71 1th2 s PRO 33 CO 0.47 -0.34 0.35 0.08 -0.33 0.00 0.00 177.00 177.23 1th2 s VAL 34 N -0.80 5.22 -0.05 3.83 1.01 0.23 -4.88 120.40 124.96 1th2 s VAL 34 Ca 0.53 0.59 -0.19 0.00 0.00 0.00 0.00 61.98 62.90 1th2 s VAL 34 Cb -0.42 -3.68 -0.14 0.00 0.00 0.00 0.00 36.38 32.13 1th2 s VAL 34 CO 0.53 0.24 0.79 1.23 0.00 0.00 0.00 175.10 177.88 1th2 h GLY 35 N 7.86 -0.25 -7.15 4.51 0.00 -1.94 -3.45 103.07 102.64 1th2 h GLY 35 Ca -0.35 0.09 -0.46 0.00 0.00 0.00 0.00 47.33 46.61 1th2 h GLY 35 CO 0.69 -0.09 -0.76 -0.35 0.00 0.00 0.00 176.54 176.03 1th2 s ASP 36 N -5.43 2.22 0.00 0.19 2.15 -1.26 -5.02 116.67 109.52 1th2 s ASP 36 Ca -0.11 -0.48 0.22 0.00 0.43 0.00 0.00 52.55 52.60 1th2 s ASP 36 Cb 0.00 -0.39 0.41 0.00 -0.30 0.00 0.00 42.92 42.65 1th2 s ASP 36 CO 0.42 -0.29 1.37 1.17 -0.17 0.00 0.00 175.17 177.67 1th2 n LYS 37 N 5.18 2.44 -0.07 4.34 4.81 -1.26 -4.49 118.16 129.11 1th2 n LYS 37 Ca -0.07 -2.24 -0.04 0.00 -0.87 0.00 0.00 58.31 55.08 1th2 n LYS 37 Cb 0.49 -1.48 -0.16 0.00 0.02 0.00 0.00 35.03 33.90 1th2 n LYS 37 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1th2 n LEU 38 N 1.39 0.09 -4.17 3.14 4.77 -1.26 -4.93 117.00 116.02 1th2 n LEU 38 Ca 0.18 0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.89 1th2 n LEU 38 Cb 0.58 0.34 -0.17 0.00 -2.33 0.00 0.00 43.42 41.84 1th2 n LEU 38 CO 0.15 0.35 -0.54 0.20 -1.33 0.00 0.00 177.39 176.22 1th2 s ASN 39 N -5.29 2.94 0.87 -1.43 0.01 -1.26 -5.12 114.94 105.67 1th2 s ASN 39 Ca -0.09 -0.54 -0.11 0.00 -0.71 0.00 0.00 52.86 51.41 1th2 s ASN 39 Cb 0.08 -1.35 0.12 0.00 0.41 0.00 0.00 41.25 40.51 1th2 s ASN 39 CO 0.85 0.11 1.10 -0.44 -1.51 0.00 0.00 177.10 177.21 1th2 s SER 40 N 0.57 3.53 -0.84 -1.22 0.01 -1.26 -4.96 113.70 109.55 1th2 s SER 40 Ca -0.14 1.80 -0.18 0.00 1.31 0.00 0.00 55.95 58.74 1th2 s SER 40 Cb -0.17 -2.42 0.14 0.00 0.21 0.00 0.00 66.02 63.79 1th2 s SER 40 CO 0.04 -2.65 0.97 -0.22 0.41 0.00 0.00 173.24 171.79 1th2 s LEU 41 N -6.28 5.44 0.15 2.44 2.96 -1.26 -5.03 118.68 117.09 1th2 s LEU 41 Ca 0.64 -2.02 0.04 0.00 -0.22 0.00 0.00 54.13 52.57 1th2 s LEU 41 Cb -0.19 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 1th2 s LEU 41 CO 0.57 -0.99 0.21 0.42 -1.32 0.00 0.00 176.35 175.24 1th2 s THR 42 N 2.23 4.93 -1.33 3.68 -4.23 -1.26 -2.77 115.64 116.89 1th2 s THR 42 Ca 0.25 -0.85 -0.17 0.00 -1.18 0.00 0.00 61.69 59.75 1th2 s THR 42 Cb -0.10 -3.52 0.07 0.00 1.34 0.00 0.00 72.50 70.30 1th2 s THR 42 CO -0.06 -0.08 1.82 0.55 -0.54 0.00 0.00 174.62 176.32 1th2 n VAL 43 N -0.39 3.88 0.00 2.29 3.14 -0.81 -4.73 118.33 121.71 1th2 n VAL 43 Ca -0.08 -3.94 0.00 0.00 -2.96 0.00 0.00 64.34 57.37 1th2 n VAL 43 Cb 0.54 -2.41 0.00 0.00 -1.06 0.00 0.00 33.84 30.91 1th2 n VAL 43 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1th2 n GLY 44 N 4.95 2.63 0.27 7.55 0.00 -1.26 -3.91 105.19 115.42 1th2 n GLY 44 Ca 0.48 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.85 1th2 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1th2 h PRO 45 N 0.00 0.00 -0.22 1.61 0.13 -2.00 -1.58 132.00 129.94 1th2 h PRO 45 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 1th2 h PRO 45 Cb 0.00 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 30.75 1th2 h PRO 45 CO 0.00 0.00 -1.04 0.54 -0.23 0.00 0.00 178.00 177.27 1th2 n ARG 46 N -2.60 0.93 -3.70 0.86 1.74 -1.26 -5.11 116.66 107.53 1th2 n ARG 46 Ca -0.02 -2.73 -0.24 0.00 -0.77 0.00 0.00 57.85 54.09 1th2 n ARG 46 Cb 0.31 -0.81 -0.01 0.00 -1.02 0.00 0.00 32.46 30.93 1th2 n ARG 46 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1th2 s GLY 47 N -2.89 2.23 1.33 -0.13 0.00 -0.60 -5.06 107.32 102.20 1th2 s GLY 47 Ca 0.29 -1.61 -0.20 0.00 0.00 0.00 0.00 44.72 43.20 1th2 s GLY 47 CO -0.10 -1.84 0.98 -4.14 0.00 0.00 0.00 173.10 168.00 1th2 s PRO 48 N -4.26 -2.21 -0.14 2.90 0.02 -1.26 -4.39 135.00 125.67 1th2 s PRO 48 Ca 0.42 0.28 -0.08 0.00 0.02 0.00 0.00 61.00 61.64 1th2 s PRO 48 Cb -0.03 -1.45 -0.04 0.00 0.02 0.00 0.00 34.50 33.00 1th2 s PRO 48 CO 0.25 -4.44 0.15 -1.17 -0.33 0.00 0.00 177.00 171.47 1th2 s LEU 49 N -7.57 4.34 -0.13 -5.54 0.20 -1.26 -1.92 118.68 106.79 1th2 s LEU 49 Ca 0.69 0.43 -0.19 0.00 0.69 0.00 0.00 54.13 55.75 1th2 s LEU 49 Cb -0.16 -2.11 -0.04 0.00 -0.43 0.00 0.00 46.19 43.46 1th2 s LEU 49 CO 0.59 0.33 0.51 -0.76 -0.29 0.00 0.00 176.35 176.74 1th2 s LEU 50 N -0.61 4.25 0.30 -0.68 2.01 -1.11 -4.91 118.68 117.92 1th2 s LEU 50 Ca 0.13 0.82 0.21 0.00 0.01 0.00 0.00 54.13 55.30 1th2 s LEU 50 Cb -0.12 -2.73 1.09 0.00 0.01 0.00 0.00 46.19 44.43 1th2 s LEU 50 CO 0.03 -0.05 1.63 1.33 1.01 0.00 0.00 176.35 180.30 1th2 n VAL 51 N 3.88 1.06 0.53 -1.59 0.24 -1.26 0.21 118.33 121.39 1th2 n VAL 51 Ca -0.06 0.66 0.08 0.00 -2.04 0.00 0.00 64.34 62.97 1th2 n VAL 51 Cb 0.51 -1.65 0.34 0.00 -1.47 0.00 0.00 33.84 31.57 1th2 n VAL 51 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1th2 n GLN 52 N -2.21 0.01 -2.71 7.34 7.27 -1.26 -4.45 117.38 121.36 1th2 n GLN 52 Ca -0.01 0.24 -0.42 0.00 0.07 0.00 0.00 57.00 56.88 1th2 n GLN 52 Cb 0.06 -1.52 -0.03 0.00 2.41 0.00 0.00 30.24 31.16 1th2 n GLN 52 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1th2 s ASP 53 N -3.05 6.25 0.13 1.69 -1.08 0.13 -4.83 116.67 115.91 1th2 s ASP 53 Ca 0.07 -0.93 0.11 0.00 -0.52 0.00 0.00 52.55 51.28 1th2 s ASP 53 Cb 0.10 -2.49 -0.13 0.00 -1.46 0.00 0.00 42.92 38.94 1th2 s ASP 53 CO 0.29 -1.57 1.17 -0.37 0.52 0.00 0.00 175.17 175.21 1th2 h VAL 54 N 6.08 1.22 -0.81 1.11 -1.51 -1.87 -3.10 116.25 117.37 1th2 h VAL 54 Ca -0.19 -2.83 -0.01 0.00 -1.23 0.00 0.00 66.70 62.44 1th2 h VAL 54 Cb 1.05 2.58 -0.04 0.00 -2.13 0.00 0.00 31.29 32.75 1th2 h VAL 54 CO 1.24 0.69 0.48 0.58 -1.23 0.00 0.00 177.57 179.33 1th2 h VAL 55 N 0.00 1.23 0.00 7.19 2.07 -1.97 -0.08 116.25 124.69 1th2 h VAL 55 Ca -0.07 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1th2 h VAL 55 Cb 1.69 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1th2 h VAL 55 CO 0.10 0.24 0.00 0.33 0.02 0.00 0.00 177.57 178.26 1th2 n PHE 56 N -4.45 0.00 -0.33 1.57 7.35 -1.24 -2.66 117.46 117.71 1th2 n PHE 56 Ca 0.08 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.81 1th2 n PHE 56 Cb 0.07 -0.25 0.11 0.00 0.35 0.00 0.00 39.48 39.75 1th2 n PHE 56 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1th2 n THR 57 N -1.25 -0.40 0.01 -2.13 -1.04 -1.17 -0.57 114.28 107.73 1th2 n THR 57 Ca 0.00 2.06 -0.15 0.00 -2.04 0.00 0.00 64.05 63.92 1th2 n THR 57 Cb 0.00 -2.82 -0.10 0.00 -1.82 0.00 0.00 70.33 65.59 1th2 n THR 57 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1th2 h ASP 58 N 0.00 -1.64 0.31 8.00 3.58 -1.08 0.30 116.42 125.89 1th2 h ASP 58 Ca 0.40 0.19 -0.01 0.00 0.42 0.00 0.00 57.03 58.03 1th2 h ASP 58 Cb 0.63 0.63 -0.00 0.00 1.72 0.00 0.00 39.33 42.31 1th2 h ASP 58 CO -0.92 -0.48 -0.18 -0.08 -2.88 0.00 0.00 179.24 174.71 1th2 h GLU 59 N -0.59 -0.45 0.22 0.28 4.81 -0.61 -2.85 114.58 115.39 1th2 h GLU 59 Ca 0.02 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1th2 h GLU 59 Cb 0.67 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 1th2 h GLU 59 CO -0.39 -0.30 -0.20 1.98 -0.73 0.00 0.00 179.01 179.37 1th2 h MET 60 N -0.47 -0.42 -0.77 1.92 4.05 -0.66 0.70 114.93 119.29 1th2 h MET 60 Ca -0.03 0.03 0.22 0.00 -0.28 0.00 0.00 59.70 59.64 1th2 h MET 60 Cb 0.38 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 1th2 h MET 60 CO 0.04 -0.28 0.57 0.00 0.23 0.00 0.00 176.91 177.47 1th2 h ALA 61 N 0.29 2.71 0.00 0.39 0.00 -0.44 0.66 119.26 122.87 1th2 h ALA 61 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1th2 h ALA 61 Cb 0.41 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1th2 h ALA 61 CO -0.04 -0.96 -0.09 1.25 0.00 0.00 0.00 179.25 179.41 1th2 h HIS 62 N 0.00 0.00 -0.78 0.00 6.17 -1.07 -3.30 115.15 116.17 1th2 h HIS 62 Ca 0.36 0.00 0.15 0.00 0.71 0.00 0.00 60.37 61.60 1th2 h HIS 62 Cb 1.49 0.00 -0.15 0.00 2.52 0.00 0.00 27.41 31.28 1th2 h HIS 62 CO 0.00 0.80 -0.21 0.35 0.71 0.00 0.00 177.93 179.58 1th2 h PHE 63 N -1.00 -0.46 0.00 5.26 3.57 0.19 0.34 116.94 124.83 1th2 h PHE 63 Ca -0.02 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1th2 h PHE 63 Cb 0.80 0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1th2 h PHE 63 CO 0.20 -0.34 0.22 -0.25 -2.23 0.00 0.00 178.31 175.91 1th2 n ASP 64 N -5.51 0.32 -0.08 0.41 8.00 0.12 -1.68 116.55 118.13 1th2 n ASP 64 Ca 0.11 0.55 0.04 0.00 0.71 0.00 0.00 54.79 56.21 1th2 n ASP 64 Cb 0.40 -0.53 0.06 0.00 -0.02 0.00 0.00 41.12 41.03 1th2 n ASP 64 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1th2 n ARG 65 N -1.96 1.74 -0.10 -1.24 1.74 0.12 -4.79 116.66 112.17 1th2 n ARG 65 Ca -0.01 -1.87 0.13 0.00 -0.77 0.00 0.00 57.85 55.33 1th2 n ARG 65 Cb 0.24 -1.14 0.51 0.00 -1.02 0.00 0.00 32.46 31.04 1th2 n ARG 65 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1th2 h GLU 66 N 0.00 0.39 -6.28 5.56 5.08 -1.09 -3.43 114.58 114.81 1th2 h GLU 66 Ca 0.00 -0.02 -0.55 0.00 -1.00 0.00 0.00 59.36 57.78 1th2 h GLU 66 Cb 0.84 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1th2 h GLU 66 CO 0.00 0.26 0.06 1.03 -1.00 0.00 0.00 179.01 179.36 1th2 s ARG 67 N -5.38 4.38 0.28 2.33 1.81 -1.26 -5.09 118.95 116.02 1th2 s ARG 67 Ca -0.08 0.91 0.10 0.00 -1.72 0.00 0.00 55.73 54.94 1th2 s ARG 67 Cb 0.20 -3.30 -0.05 0.00 -0.45 0.00 0.00 34.95 31.35 1th2 s ARG 67 CO 0.75 0.48 -0.15 0.96 -0.68 0.00 0.00 175.30 176.66 1th2 s ILE 68 N -0.65 2.22 0.37 1.52 -4.36 -1.26 -5.10 121.20 113.93 1th2 s ILE 68 Ca 0.33 -2.30 -0.28 0.00 -0.26 0.00 0.00 60.65 58.14 1th2 s ILE 68 Cb -0.20 -2.35 -0.11 0.00 1.25 0.00 0.00 42.46 41.05 1th2 s ILE 68 CO 0.21 -0.38 1.41 -2.65 0.24 0.00 0.00 174.94 173.76 1th2 n PRO 69 N -0.61 2.44 -1.96 0.37 -0.02 -1.26 -4.97 135.00 128.99 1th2 n PRO 69 Ca -0.06 0.86 -0.29 0.00 -2.02 0.00 0.00 63.50 61.99 1th2 n PRO 69 Cb 0.61 -2.53 0.05 0.00 -0.02 0.00 0.00 33.50 31.61 1th2 n PRO 69 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1th2 s GLU 70 N -2.03 2.69 0.25 -0.52 -1.05 -1.26 -4.92 118.70 111.86 1th2 s GLU 70 Ca 0.54 0.32 -0.31 0.00 -0.15 0.00 0.00 54.97 55.37 1th2 s GLU 70 Cb -0.51 -2.04 -0.12 0.00 -0.44 0.00 0.00 34.13 31.01 1th2 s GLU 70 CO 0.63 -1.10 1.57 0.54 0.95 0.00 0.00 175.26 177.85 1th2 n ARG 71 N -3.01 2.48 0.29 -4.83 1.74 -1.26 -4.84 116.66 107.23 1th2 n ARG 71 Ca 0.07 0.89 0.18 0.00 -0.77 0.00 0.00 57.85 58.22 1th2 n ARG 71 Cb 0.58 -2.65 0.99 0.00 -1.02 0.00 0.00 32.46 30.36 1th2 n ARG 71 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1th2 h VAL 72 N 3.38 0.28 -3.00 1.55 3.04 -1.98 -3.36 116.25 116.16 1th2 h VAL 72 Ca -0.46 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.13 1th2 h VAL 72 Cb 1.24 0.93 -0.19 0.00 -2.01 0.00 0.00 31.29 31.25 1th2 h VAL 72 CO 0.82 0.00 -0.23 0.68 -1.01 0.00 0.00 177.57 177.83 1th2 s VAL 73 N -4.42 0.06 -1.00 1.51 -7.23 -1.26 -4.90 120.40 103.16 1th2 s VAL 73 Ca -0.05 -0.47 -0.04 0.00 -1.81 0.00 0.00 61.98 59.61 1th2 s VAL 73 Cb 0.14 -0.71 0.00 0.00 0.56 0.00 0.00 36.38 36.38 1th2 s VAL 73 CO 0.47 -0.26 0.86 1.41 -0.31 0.00 0.00 175.10 177.28 1th2 n HIS 74 N 1.11 -2.03 0.10 2.82 -0.00 0.05 -4.95 115.22 112.31 1th2 n HIS 74 Ca -0.21 0.76 -0.13 0.00 -0.00 0.00 0.00 57.72 58.14 1th2 n HIS 74 Cb 0.57 -4.22 -0.08 0.00 -0.00 0.00 0.00 29.99 26.25 1th2 n HIS 74 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1th2 h ALA 75 N 0.75 -0.26 -1.92 -1.41 0.00 -1.71 -3.42 119.26 111.29 1th2 h ALA 75 Ca -0.45 -0.18 -0.61 0.00 0.00 0.00 0.00 54.91 53.68 1th2 h ALA 75 Cb 1.28 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 19.06 1th2 h ALA 75 CO 0.41 -0.48 0.55 0.21 0.00 0.00 0.00 179.25 179.94 1th2 s LYS 76 N -4.78 3.48 0.02 0.00 2.47 -1.26 -4.74 119.74 114.94 1th2 s LYS 76 Ca -0.15 0.05 0.00 0.00 -1.56 0.00 0.00 55.97 54.32 1th2 s LYS 76 Cb 0.03 -3.95 -0.00 0.00 -1.46 0.00 0.00 37.83 32.44 1th2 s LYS 76 CO 0.59 -1.25 0.02 0.41 0.16 0.00 0.00 175.35 175.28 1th2 n GLY 77 N 4.97 3.79 3.21 5.54 0.00 -1.26 -2.51 105.19 118.93 1th2 n GLY 77 Ca 0.05 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 1th2 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th2 s ALA 78 N -2.01 -0.73 0.12 4.61 0.00 0.18 -4.92 121.76 119.01 1th2 s ALA 78 Ca 0.03 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.56 1th2 s ALA 78 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1th2 s ALA 78 CO 0.02 -0.20 -0.03 0.20 0.00 0.00 0.00 175.76 175.75 1th2 s GLY 79 N -0.57 0.90 0.22 0.00 0.00 -1.26 0.17 107.32 106.78 1th2 s GLY 79 Ca -0.07 -1.42 -0.16 0.00 0.00 0.00 0.00 44.72 43.07 1th2 s GLY 79 CO 0.02 -1.45 0.52 0.00 0.00 0.00 0.00 173.10 172.19 1th2 s ALA 80 N -3.72 -0.72 0.15 3.20 0.00 0.81 -4.44 121.76 117.04 1th2 s ALA 80 Ca 0.16 -0.46 0.08 0.00 0.00 0.00 0.00 51.96 51.75 1th2 s ALA 80 Cb 0.06 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 24.05 1th2 s ALA 80 CO -0.02 -0.84 -0.18 -0.06 0.00 0.00 0.00 175.76 174.66 1th2 s PHE 81 N -3.92 1.78 0.00 0.00 0.40 -0.03 -0.13 117.98 116.07 1th2 s PHE 81 Ca 0.13 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1th2 s PHE 81 Cb -0.01 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.61 1th2 s PHE 81 CO 0.02 0.29 0.00 0.41 0.70 0.00 0.00 175.22 176.64 1th2 n GLY 82 N 0.44 1.90 3.20 4.36 0.00 -1.01 -0.82 105.19 113.27 1th2 n GLY 82 Ca -0.14 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 1th2 n GLY 82 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1th2 s TYR 83 N 0.18 0.48 -0.12 1.61 -0.85 0.93 -2.51 117.35 117.07 1th2 s TYR 83 Ca 0.00 -0.90 0.03 0.00 -0.52 0.00 0.00 57.07 55.68 1th2 s TYR 83 Cb 0.00 -0.24 0.01 0.00 0.38 0.00 0.00 41.96 42.11 1th2 s TYR 83 CO 0.00 -0.55 -0.22 0.12 -1.52 0.00 0.00 175.55 173.38 1th2 s PHE 84 N -3.95 2.50 -0.04 -3.49 5.36 0.75 -0.80 117.98 118.32 1th2 s PHE 84 Ca 0.14 -1.16 0.06 0.00 -0.96 0.00 0.00 56.93 55.00 1th2 s PHE 84 Cb 0.06 -1.70 -0.02 0.00 -0.34 0.00 0.00 43.02 41.01 1th2 s PHE 84 CO -0.05 -0.51 -0.20 -2.00 -1.46 0.00 0.00 175.22 171.01 1th2 s GLU 85 N 0.65 2.32 -0.06 10.12 2.12 -0.26 -0.22 118.70 133.37 1th2 s GLU 85 Ca -0.12 -0.80 -0.25 0.00 0.36 0.00 0.00 54.97 54.16 1th2 s GLU 85 Cb -0.16 -2.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.97 1th2 s GLU 85 CO 0.02 0.59 0.76 0.08 -0.54 0.00 0.00 175.26 176.18 1th2 s VAL 86 N -0.68 5.00 -0.00 3.70 1.01 -0.81 0.48 120.40 129.10 1th2 s VAL 86 Ca 0.11 1.58 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1th2 s VAL 86 Cb -0.10 -4.10 -0.00 0.00 0.00 0.00 0.00 36.38 32.18 1th2 s VAL 86 CO -0.00 0.21 0.17 0.35 0.00 0.00 0.00 175.10 175.83 1th2 n THR 87 N 3.90 0.00 -3.88 3.92 -2.24 0.87 -0.58 114.28 116.26 1th2 n THR 87 Ca 0.01 -0.50 -0.11 0.00 -2.27 0.00 0.00 64.05 61.18 1th2 n THR 87 Cb 0.51 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.64 1th2 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1th2 s HIS 88 N -0.67 0.07 -0.39 4.78 3.76 0.11 -4.93 115.29 118.03 1th2 s HIS 88 Ca 0.00 -0.21 -0.20 0.00 -0.15 0.00 0.00 55.06 54.50 1th2 s HIS 88 Cb 0.00 -0.06 0.01 0.00 1.11 0.00 0.00 32.58 33.64 1th2 s HIS 88 CO 0.00 -0.32 0.60 0.34 -0.85 0.00 0.00 174.74 174.52 1th2 s ASP 89 N -1.59 6.35 -0.17 1.40 -1.08 -1.26 -4.78 116.67 115.54 1th2 s ASP 89 Ca -0.12 -0.11 0.16 0.00 -0.52 0.00 0.00 52.55 51.96 1th2 s ASP 89 Cb -0.06 -2.31 0.38 0.00 -1.46 0.00 0.00 42.92 39.47 1th2 s ASP 89 CO 0.00 -0.64 1.24 2.30 0.52 0.00 0.00 175.17 178.59 1th2 n ILE 90 N 5.64 2.09 0.10 4.11 -5.35 -1.26 -4.75 119.36 119.94 1th2 n ILE 90 Ca -0.02 -2.49 0.01 0.00 -0.27 0.00 0.00 62.75 59.97 1th2 n ILE 90 Cb 0.48 -0.25 0.06 0.00 -1.74 0.00 0.00 39.64 38.19 1th2 n ILE 90 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1th2 n THR 91 N -1.20 1.06 0.26 7.28 -2.24 -1.26 -1.28 114.28 116.89 1th2 n THR 91 Ca 0.19 0.26 0.12 0.00 -2.27 0.00 0.00 64.05 62.35 1th2 n THR 91 Cb 0.73 -1.23 0.10 0.00 -2.10 0.00 0.00 70.33 67.83 1th2 n THR 91 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1th2 h ARG 92 N 0.00 0.00 0.01 -0.78 0.11 -2.00 -3.38 114.38 108.34 1th2 h ARG 92 Ca 0.00 0.00 -0.40 0.00 0.10 0.00 0.00 59.98 59.68 1th2 h ARG 92 Cb 0.02 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.04 1th2 h ARG 92 CO 0.00 0.00 -2.28 0.66 0.10 0.00 0.00 179.97 178.45 1th2 n TYR 93 N -2.66 0.28 -4.44 4.08 4.01 -0.40 -4.65 117.16 113.38 1th2 n TYR 93 Ca 0.02 0.09 -0.21 0.00 -0.16 0.00 0.00 57.90 57.64 1th2 n TYR 93 Cb 0.52 -1.03 -0.14 0.00 -0.31 0.00 0.00 39.34 38.38 1th2 n TYR 93 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1th2 s SER 94 N -7.08 1.83 0.00 7.72 0.15 -1.13 -2.41 113.70 112.79 1th2 s SER 94 Ca -0.35 -0.45 0.22 0.00 0.70 0.00 0.00 55.95 56.07 1th2 s SER 94 Cb 0.11 -0.13 0.59 0.00 -1.71 0.00 0.00 66.02 64.87 1th2 s SER 94 CO 0.57 0.07 1.50 2.29 1.20 0.00 0.00 173.24 178.87 1th2 n LYS 95 N 1.96 2.68 -1.60 5.44 2.85 0.03 -4.27 118.16 125.25 1th2 n LYS 95 Ca -0.17 -2.56 -0.50 0.00 -1.05 0.00 0.00 58.31 54.02 1th2 n LYS 95 Cb 0.54 -1.55 -0.05 0.00 -0.65 0.00 0.00 35.03 33.33 1th2 n LYS 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1th2 n ALA 96 N 1.58 -0.61 0.28 0.58 0.00 -1.21 -4.81 120.51 116.32 1th2 n ALA 96 Ca 0.23 0.48 0.17 0.00 0.00 0.00 0.00 53.44 54.32 1th2 n ALA 96 Cb 0.61 -2.09 0.84 0.00 0.00 0.00 0.00 19.45 18.82 1th2 n ALA 96 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1th2 h LYS 97 N 4.11 0.00 0.00 0.00 1.57 -1.94 -1.62 116.57 118.69 1th2 h LYS 97 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1th2 h LYS 97 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1th2 h LYS 97 CO 0.75 0.00 0.00 -0.24 -0.57 0.00 0.00 179.45 179.39 1th2 h VAL 98 N 0.00 0.00 -0.02 0.50 3.04 -1.94 -2.86 116.25 114.98 1th2 h VAL 98 Ca 0.00 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 1th2 h VAL 98 Cb 0.12 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1th2 h VAL 98 CO 0.00 0.00 -0.02 0.49 -1.01 0.00 0.00 177.57 177.03 1th2 n PHE 99 N -2.62 0.00 0.09 3.17 3.72 -0.63 -4.77 117.46 116.41 1th2 n PHE 99 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1th2 n PHE 99 Cb 0.41 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 1th2 n PHE 99 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1th2 n GLU 100 N 0.70 0.01 0.00 -1.08 2.13 -1.08 -4.58 120.64 116.73 1th2 n GLU 100 Ca 0.08 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.14 1th2 n GLU 100 Cb 0.33 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.21 1th2 n GLU 100 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 1th2 n HIS 101 N -1.25 0.00 -1.53 4.31 1.44 -1.26 -5.09 115.22 111.84 1th2 n HIS 101 Ca 0.00 0.00 -0.48 0.00 -2.01 0.00 0.00 57.72 55.23 1th2 n HIS 101 Cb 0.55 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.63 1th2 n HIS 101 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1th2 n ILE 102 N -0.59 1.53 0.00 0.61 2.08 -1.26 -1.44 119.36 120.29 1th2 n ILE 102 Ca 0.00 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 62.93 1th2 n ILE 102 Cb 0.00 -0.61 0.00 0.00 -0.75 0.00 0.00 39.64 38.28 1th2 n ILE 102 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1th2 n GLY 103 N 1.69 3.15 3.69 7.39 0.00 0.25 -4.96 105.19 116.41 1th2 n GLY 103 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1th2 n GLY 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1th2 n LYS 104 N -1.82 2.77 -4.50 1.61 4.81 -0.52 -4.61 118.16 115.90 1th2 n LYS 104 Ca 0.00 1.01 -0.34 0.00 -0.87 0.00 0.00 58.31 58.11 1th2 n LYS 104 Cb 0.00 -2.89 -0.11 0.00 0.02 0.00 0.00 35.03 32.04 1th2 n LYS 104 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1th2 s ARG 105 N 2.52 3.21 -0.08 1.64 0.52 -1.26 -1.93 118.95 123.57 1th2 s ARG 105 Ca 0.81 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 55.53 1th2 s ARG 105 Cb -0.49 -2.76 0.01 0.00 0.52 0.00 0.00 34.95 32.23 1th2 s ARG 105 CO 0.37 0.47 -0.16 0.99 0.02 0.00 0.00 175.30 176.98 1th2 s THR 106 N -0.27 1.48 0.50 0.02 2.01 0.69 -4.90 115.64 115.18 1th2 s THR 106 Ca 0.04 -0.67 -0.23 0.00 0.31 0.00 0.00 61.69 61.14 1th2 s THR 106 Cb -0.13 -1.33 -0.06 0.00 0.01 0.00 0.00 72.50 71.00 1th2 s THR 106 CO 0.02 0.43 1.34 -2.84 -0.69 0.00 0.00 174.62 172.89 1th2 s PRO 107 N 0.64 3.40 0.05 4.92 0.02 -1.26 -0.18 135.00 142.58 1th2 s PRO 107 Ca -0.14 2.20 -0.02 0.00 0.02 0.00 0.00 61.00 63.06 1th2 s PRO 107 Cb -0.16 -2.40 -0.03 0.00 0.02 0.00 0.00 34.50 31.93 1th2 s PRO 107 CO 0.04 -0.97 0.01 0.96 -0.33 0.00 0.00 177.00 176.70 1th2 s ILE 108 N -1.31 0.18 0.02 2.83 -4.36 -1.04 -1.11 121.20 116.40 1th2 s ILE 108 Ca 0.67 -1.50 0.06 0.00 -0.26 0.00 0.00 60.65 59.63 1th2 s ILE 108 Cb -0.39 -1.20 -0.02 0.00 1.25 0.00 0.00 42.46 42.10 1th2 s ILE 108 CO 0.48 -0.83 -0.20 0.00 0.24 0.00 0.00 174.94 174.63 1th2 s ALA 109 N -3.31 1.64 0.02 2.27 0.00 -0.07 -2.40 121.76 119.91 1th2 s ALA 109 Ca 0.01 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.06 1th2 s ALA 109 Cb 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 1th2 s ALA 109 CO -0.08 0.38 -0.07 0.08 0.00 0.00 0.00 175.76 176.07 1th2 s VAL 110 N -0.63 0.55 -0.04 0.00 1.01 0.82 -1.11 120.40 120.99 1th2 s VAL 110 Ca 0.07 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1th2 s VAL 110 Cb -0.08 -0.53 0.03 0.00 0.00 0.00 0.00 36.38 35.80 1th2 s VAL 110 CO 0.01 -0.07 0.02 -0.60 0.00 0.00 0.00 175.10 174.45 1th2 s ARG 111 N -0.76 0.26 0.30 2.72 3.52 -1.04 -0.13 118.95 123.81 1th2 s ARG 111 Ca -0.02 0.18 0.03 0.00 -0.13 0.00 0.00 55.73 55.79 1th2 s ARG 111 Cb -0.06 -0.62 -0.03 0.00 -1.56 0.00 0.00 34.95 32.69 1th2 s ARG 111 CO 0.00 -0.24 0.47 -0.06 -0.81 0.00 0.00 175.30 174.66 1th2 s PHE 112 N 1.63 3.44 0.12 5.12 0.08 0.44 -2.68 117.98 126.13 1th2 s PHE 112 Ca -0.01 0.14 -0.25 0.00 0.12 0.00 0.00 56.93 56.93 1th2 s PHE 112 Cb -0.13 -1.78 0.08 0.00 -0.57 0.00 0.00 43.02 40.63 1th2 s PHE 112 CO -0.03 0.23 1.10 -1.54 -0.10 0.00 0.00 175.22 174.88 1th2 s SER 113 N -4.03 -0.04 0.10 1.36 1.04 -1.07 -0.65 113.70 110.41 1th2 s SER 113 Ca 0.38 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.35 1th2 s SER 113 Cb -0.09 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.43 1th2 s SER 113 CO 0.33 -0.76 0.09 0.35 0.98 0.00 0.00 173.24 174.22 1th2 n THR 114 N -0.66 0.00 0.01 2.02 -2.24 -1.05 -1.80 114.28 110.56 1th2 n THR 114 Ca -0.03 -0.36 -0.02 0.00 -2.27 0.00 0.00 64.05 61.36 1th2 n THR 114 Cb 0.60 -0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 68.26 1th2 n THR 114 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1th2 n VAL 115 N -0.86 1.21 0.02 2.28 0.31 -1.26 -3.63 118.33 116.40 1th2 n VAL 115 Ca 0.01 0.32 -0.18 0.00 -0.01 0.00 0.00 64.34 64.47 1th2 n VAL 115 Cb 0.11 -1.75 -0.12 0.00 -0.91 0.00 0.00 33.84 31.17 1th2 n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1th2 h ALA 116 N -0.30 0.05 -2.83 3.52 0.00 -1.93 0.17 119.26 117.94 1th2 h ALA 116 Ca 0.00 -0.60 -0.57 0.00 0.00 0.00 0.00 54.91 53.74 1th2 h ALA 116 Cb 0.26 0.05 0.15 0.00 0.00 0.00 0.00 17.79 18.25 1th2 h ALA 116 CO 0.00 0.39 0.30 0.41 0.00 0.00 0.00 179.25 180.34 1th2 n GLY 117 N 1.18 0.08 0.00 0.00 0.00 -1.26 -4.92 105.19 100.26 1th2 n GLY 117 Ca -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1th2 n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1th2 n GLU 118 N -0.83 0.29 0.25 1.61 4.71 -1.26 -3.98 120.64 121.42 1th2 n GLU 118 Ca 0.12 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.35 1th2 n GLU 118 Cb 0.45 0.00 0.62 0.00 -1.01 0.00 0.00 31.44 31.50 1th2 n GLU 118 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1th2 h SER 119 N 0.00 0.00 1.44 1.62 0.02 -1.95 -2.41 113.55 112.27 1th2 h SER 119 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1th2 h SER 119 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1th2 h SER 119 CO 0.00 0.06 -0.37 1.23 -1.14 0.00 0.00 176.83 176.61 1th2 h GLY 120 N 0.19 0.00 -2.76 -3.77 0.00 -1.98 -3.46 103.07 91.28 1th2 h GLY 120 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1th2 h GLY 120 CO 0.01 0.00 -0.47 -1.14 0.00 0.00 0.00 176.54 174.94 1th2 n SER 121 N -2.66 -1.39 -4.77 0.19 3.41 -0.91 -4.98 113.62 102.51 1th2 n SER 121 Ca 0.03 0.61 -0.38 0.00 -0.26 0.00 0.00 58.87 58.87 1th2 n SER 121 Cb 0.50 -1.18 -0.06 0.00 -0.26 0.00 0.00 64.21 63.21 1th2 n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th2 s ALA 122 N -1.88 3.25 0.13 7.33 0.00 -1.26 -4.85 121.76 124.48 1th2 s ALA 122 Ca 0.65 0.56 -0.13 0.00 0.00 0.00 0.00 51.96 53.04 1th2 s ALA 122 Cb -0.37 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 1th2 s ALA 122 CO 0.58 0.18 1.51 -0.44 0.00 0.00 0.00 175.76 177.59 1th2 h ASP 123 N 3.50 0.85 -1.51 0.00 5.19 0.37 -3.38 116.42 121.44 1th2 h ASP 123 Ca -0.46 -0.40 -0.75 0.00 -0.62 0.00 0.00 57.03 54.79 1th2 h ASP 123 Cb 1.19 -0.23 -0.16 0.00 0.18 0.00 0.00 39.33 40.31 1th2 h ASP 123 CO 0.66 1.06 1.92 0.35 -3.12 0.00 0.00 179.24 180.11 1th2 n THR 124 N -4.25 4.33 -4.21 0.35 -2.24 -1.26 -4.93 114.28 102.07 1th2 n THR 124 Ca -0.01 -4.45 -0.15 0.00 -2.27 0.00 0.00 64.05 57.16 1th2 n THR 124 Cb 0.42 -2.37 -0.11 0.00 -2.10 0.00 0.00 70.33 66.17 1th2 n THR 124 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1th2 s VAL 125 N 0.57 1.10 0.18 2.28 -7.23 -1.26 -4.56 120.40 111.48 1th2 s VAL 125 Ca 0.40 -1.78 -0.31 0.00 -1.81 0.00 0.00 61.98 58.48 1th2 s VAL 125 Cb 0.08 -1.54 -0.10 0.00 0.56 0.00 0.00 36.38 35.38 1th2 s VAL 125 CO 0.00 -0.58 1.52 -0.60 -0.31 0.00 0.00 175.10 175.14 1th2 s ARG 126 N -3.03 4.24 0.00 4.82 3.52 -1.26 -4.59 118.95 122.65 1th2 s ARG 126 Ca 0.09 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 58.01 1th2 s ARG 126 Cb -0.02 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1th2 s ARG 126 CO 0.01 -0.55 0.00 -3.47 -0.81 0.00 0.00 175.30 170.48 1th2 n ASP 127 N 3.62 0.00 -3.70 -2.12 2.03 -0.71 -5.01 116.55 110.65 1th2 n ASP 127 Ca 0.12 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.13 1th2 n ASP 127 Cb 0.39 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.07 1th2 n ASP 127 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1th2 s PRO 128 N -1.67 -2.38 -0.02 -0.67 0.02 -1.26 -4.75 135.00 124.27 1th2 s PRO 128 Ca 0.00 0.26 0.02 0.00 0.02 0.00 0.00 61.00 61.31 1th2 s PRO 128 Cb 0.00 -1.43 0.00 0.00 0.02 0.00 0.00 34.50 33.09 1th2 s PRO 128 CO 0.00 -4.54 -0.09 1.03 -0.33 0.00 0.00 177.00 173.07 1th2 s ARG 129 N -4.97 0.93 0.30 5.54 1.81 -1.26 -4.08 118.95 117.22 1th2 s ARG 129 Ca 0.69 -0.30 -0.17 0.00 -1.72 0.00 0.00 55.73 54.23 1th2 s ARG 129 Cb -0.15 -0.87 -0.09 0.00 -0.45 0.00 0.00 34.95 33.38 1th2 s ARG 129 CO 0.59 0.11 0.76 0.20 -0.68 0.00 0.00 175.30 176.28 1th2 s GLY 130 N 0.17 2.45 -0.44 -3.53 0.00 -0.75 0.98 107.32 106.20 1th2 s GLY 130 Ca -0.03 0.13 0.05 0.00 0.00 0.00 0.00 44.72 44.87 1th2 s GLY 130 CO 0.00 0.39 0.45 -0.12 0.00 0.00 0.00 173.10 173.83 1th2 s PHE 131 N -1.84 0.25 -0.19 1.90 2.19 0.93 -2.59 117.98 118.63 1th2 s PHE 131 Ca 0.51 -1.76 -0.18 0.00 0.33 0.00 0.00 56.93 55.83 1th2 s PHE 131 Cb -0.12 -0.54 -0.03 0.00 -1.31 0.00 0.00 43.02 41.01 1th2 s PHE 131 CO 0.18 -0.96 0.52 0.00 1.83 0.00 0.00 175.22 176.79 1th2 s ALA 132 N 0.36 3.54 -0.14 11.12 0.00 -1.09 -2.31 121.76 133.24 1th2 s ALA 132 Ca 0.31 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.90 1th2 s ALA 132 Cb 0.02 -2.80 -0.00 0.00 0.00 0.00 0.00 23.12 20.33 1th2 s ALA 132 CO -0.15 -0.41 -0.17 0.08 0.00 0.00 0.00 175.76 175.11 1th2 s VAL 133 N 1.56 2.52 -0.22 0.00 1.01 -0.16 -2.51 120.40 122.60 1th2 s VAL 133 Ca 0.24 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1th2 s VAL 133 Cb -0.15 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1th2 s VAL 133 CO 0.10 0.53 -0.01 -0.75 0.00 0.00 0.00 175.10 174.96 1th2 s LYS 134 N 0.72 3.47 -0.24 2.72 2.20 -0.26 0.64 119.74 128.99 1th2 s LYS 134 Ca -0.08 -0.58 -0.08 0.00 -0.36 0.00 0.00 55.97 54.88 1th2 s LYS 134 Cb -0.16 -3.08 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 1th2 s LYS 134 CO 0.01 -0.16 0.09 -0.06 -0.36 0.00 0.00 175.35 174.87 1th2 s PHE 135 N 1.42 3.13 -1.15 4.03 0.40 -0.07 -0.89 117.98 124.85 1th2 s PHE 135 Ca 0.05 -0.24 -0.14 0.00 -0.60 0.00 0.00 56.93 56.00 1th2 s PHE 135 Cb -0.14 -2.23 0.17 0.00 0.51 0.00 0.00 43.02 41.33 1th2 s PHE 135 CO -0.01 -0.23 1.35 0.71 0.70 0.00 0.00 175.22 177.75 1th2 s TYR 136 N 1.39 3.49 0.45 0.36 1.51 -0.27 -1.08 117.35 123.20 1th2 s TYR 136 Ca 0.06 -2.04 0.00 0.00 -1.01 0.00 0.00 57.07 54.07 1th2 s TYR 136 Cb -0.15 -4.27 -0.00 0.00 -0.11 0.00 0.00 41.96 37.42 1th2 s TYR 136 CO 0.04 -1.38 0.67 0.95 -1.11 0.00 0.00 175.55 174.73 1th2 s THR 137 N 1.58 4.03 0.32 -0.71 -4.23 -1.03 -4.38 115.64 111.22 1th2 s THR 137 Ca 0.40 -0.47 0.05 0.00 -1.18 0.00 0.00 61.69 60.49 1th2 s THR 137 Cb -0.04 -3.49 0.30 0.00 1.34 0.00 0.00 72.50 70.62 1th2 s THR 137 CO -0.02 -0.35 1.85 -0.33 -0.54 0.00 0.00 174.62 175.22 1th2 h GLU 138 N 0.39 0.80 -0.92 3.99 5.08 -1.92 -0.87 114.58 121.14 1th2 h GLU 138 Ca -0.46 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 57.77 1th2 h GLU 138 Cb 1.25 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 1th2 h GLU 138 CO 0.57 0.53 0.10 -0.25 -1.00 0.00 0.00 179.01 178.97 1th2 n ASP 139 N -4.60 2.93 0.00 1.42 8.00 -1.26 -4.48 116.55 118.56 1th2 n ASP 139 Ca 0.19 -2.43 0.00 0.00 0.71 0.00 0.00 54.79 53.26 1th2 n ASP 139 Cb 0.43 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 1th2 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1th2 n GLY 140 N 0.09 -3.78 3.82 0.44 0.00 -0.33 -4.74 105.19 100.70 1th2 n GLY 140 Ca 0.15 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.73 1th2 n GLY 140 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th2 s ASN 141 N -0.91 6.89 -0.27 1.61 0.01 -1.26 -2.47 114.94 118.54 1th2 s ASN 141 Ca 0.00 1.66 -0.01 0.00 -0.71 0.00 0.00 52.86 53.81 1th2 s ASN 141 Cb 0.00 -2.53 0.08 0.00 0.41 0.00 0.00 41.25 39.21 1th2 s ASN 141 CO 0.00 -0.39 0.05 0.86 -1.51 0.00 0.00 177.10 176.11 1th2 s TRP 142 N -2.24 1.80 -0.24 2.20 -0.00 -0.24 -4.13 118.94 116.10 1th2 s TRP 142 Ca 0.61 -1.61 -0.17 0.00 -0.00 0.00 0.00 56.10 54.94 1th2 s TRP 142 Cb -0.09 -1.60 -0.03 0.00 -0.00 0.00 0.00 33.47 31.74 1th2 s TRP 142 CO 0.16 -0.80 0.44 -0.51 -0.00 0.00 0.00 176.95 176.24 1th2 s ASP 143 N 1.59 6.41 -0.47 5.86 1.01 -0.80 -0.89 116.67 129.38 1th2 s ASP 143 Ca 0.04 0.48 -0.07 0.00 0.71 0.00 0.00 52.55 53.72 1th2 s ASP 143 Cb -0.18 -2.25 0.12 0.00 1.01 0.00 0.00 42.92 41.63 1th2 s ASP 143 CO -0.16 -0.18 0.31 -0.22 0.21 0.00 0.00 175.17 175.13 1th2 s LEU 144 N 1.85 5.55 -1.24 1.23 2.96 0.21 -4.54 118.68 124.70 1th2 s LEU 144 Ca 0.19 -2.02 -0.11 0.00 -0.22 0.00 0.00 54.13 51.97 1th2 s LEU 144 Cb -0.15 -1.95 0.18 0.00 0.50 0.00 0.00 46.19 44.77 1th2 s LEU 144 CO 0.09 -0.63 1.64 0.52 -1.32 0.00 0.00 176.35 176.65 1th2 n VAL 145 N 4.71 4.35 -2.97 1.68 0.31 -1.26 -0.99 118.33 124.15 1th2 n VAL 145 Ca -0.05 -4.64 -0.19 0.00 -0.01 0.00 0.00 64.34 59.45 1th2 n VAL 145 Cb 0.41 -2.40 0.02 0.00 -0.91 0.00 0.00 33.84 30.95 1th2 n VAL 145 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1th2 s GLY 146 N 1.66 1.80 0.10 2.92 0.00 -0.98 -4.90 107.32 107.92 1th2 s GLY 146 Ca 0.40 -1.45 0.01 0.00 0.00 0.00 0.00 44.72 43.68 1th2 s GLY 146 CO 0.01 -1.25 0.04 0.70 0.00 0.00 0.00 173.10 172.59 1th2 n ASN 147 N -1.99 1.75 -0.85 1.64 3.02 -1.21 0.31 115.26 117.93 1th2 n ASN 147 Ca 0.06 -1.39 0.11 0.00 -0.03 0.00 0.00 54.58 53.32 1th2 n ASN 147 Cb 0.59 0.03 0.28 0.00 -0.61 0.00 0.00 39.78 40.07 1th2 n ASN 147 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1th2 n ASN 148 N -1.57 2.52 -4.26 6.41 2.04 0.28 -2.25 115.26 118.43 1th2 n ASN 148 Ca -0.02 -1.87 -0.23 0.00 -0.44 0.00 0.00 54.58 52.01 1th2 n ASN 148 Cb 0.12 -0.20 -0.13 0.00 -2.53 0.00 0.00 39.78 37.05 1th2 n ASN 148 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1th2 s THR 149 N -1.60 1.61 -1.38 5.53 -1.32 -1.26 -4.69 115.64 112.52 1th2 s THR 149 Ca 0.35 -1.43 0.28 0.00 -1.21 0.00 0.00 61.69 59.68 1th2 s THR 149 Cb 0.19 -1.46 0.33 0.00 -1.51 0.00 0.00 72.50 70.06 1th2 s THR 149 CO 0.28 -0.03 1.80 -0.81 -2.21 0.00 0.00 174.62 173.65 1th2 n PRO 150 N 1.27 0.40 -3.84 7.08 -0.04 -1.26 -4.63 135.00 133.99 1th2 n PRO 150 Ca -0.19 -0.13 -0.20 0.00 -0.04 0.00 0.00 63.50 62.94 1th2 n PRO 150 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 1th2 n PRO 150 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1th2 n ILE 151 N -1.18 0.00 -4.25 0.52 -5.35 -1.26 -4.21 119.36 103.62 1th2 n ILE 151 Ca 0.11 -1.79 -0.18 0.00 -0.27 0.00 0.00 62.75 60.62 1th2 n ILE 151 Cb 0.30 0.59 -0.07 0.00 -1.74 0.00 0.00 39.64 38.72 1th2 n ILE 151 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1th2 n PHE 152 N -0.74 -0.77 0.10 4.28 7.35 -1.03 -4.98 117.46 121.67 1th2 n PHE 152 Ca -0.06 -2.60 -0.16 0.00 -0.76 0.00 0.00 57.45 53.87 1th2 n PHE 152 Cb 0.46 0.28 -0.12 0.00 0.35 0.00 0.00 39.48 40.45 1th2 n PHE 152 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1th2 h PHE 153 N 2.00 0.54 -0.79 -5.13 0.04 -1.90 -3.39 116.94 108.30 1th2 h PHE 153 Ca -0.22 -0.37 -0.66 0.00 2.80 0.00 0.00 57.97 59.52 1th2 h PHE 153 Cb 1.12 -0.03 -0.13 0.00 2.20 0.00 0.00 35.95 39.11 1th2 h PHE 153 CO 0.00 1.27 -0.52 0.96 -0.60 0.00 0.00 178.31 179.42 1th2 s ILE 154 N -2.75 1.13 0.00 -0.55 -4.36 -1.26 -2.46 121.20 110.95 1th2 s ILE 154 Ca -0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 1th2 s ILE 154 Cb 0.07 -2.24 0.00 0.00 1.25 0.00 0.00 42.46 41.54 1th2 s ILE 154 CO 0.88 0.00 0.48 -2.11 0.24 0.00 0.00 174.94 174.44 1th2 n ARG 155 N -1.19 0.46 -3.67 0.37 1.85 -1.26 -4.51 116.66 108.71 1th2 n ARG 155 Ca -0.16 -0.57 -0.23 0.00 -1.00 0.00 0.00 57.85 55.88 1th2 n ARG 155 Cb 0.67 -0.63 -0.17 0.00 -1.05 0.00 0.00 32.46 31.28 1th2 n ARG 155 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1th2 s ASP 156 N -0.18 1.82 0.52 2.89 -1.08 -1.26 -3.92 116.67 115.46 1th2 s ASP 156 Ca 0.00 -0.28 0.42 0.00 -0.52 0.00 0.00 52.55 52.17 1th2 s ASP 156 Cb 0.00 -0.28 1.62 0.00 -1.46 0.00 0.00 42.92 42.80 1th2 s ASP 156 CO 0.00 -0.28 1.61 0.00 0.52 0.00 0.00 175.17 177.02 1th2 h ALA 157 N 8.39 3.41 0.00 3.66 0.00 -1.87 -0.21 119.26 132.64 1th2 h ALA 157 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1th2 h ALA 157 Cb 1.13 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1th2 h ALA 157 CO 0.24 -1.98 0.00 -0.07 0.00 0.00 0.00 179.25 177.43 1th2 h LEU 158 N 0.02 0.00 0.00 0.00 3.38 -1.96 -1.60 115.31 115.15 1th2 h LEU 158 Ca 0.87 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.84 1th2 h LEU 158 Cb 3.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.98 1th2 h LEU 158 CO -0.16 0.00 -1.07 0.18 0.09 0.00 0.00 178.44 177.48 1th2 n LEU 159 N -3.04 0.66 0.04 1.67 4.32 -0.09 -4.44 117.00 116.13 1th2 n LEU 159 Ca -0.03 0.18 -0.12 0.00 -0.02 0.00 0.00 56.01 56.03 1th2 n LEU 159 Cb 0.09 -0.08 -0.06 0.00 -1.62 0.00 0.00 43.42 41.75 1th2 n LEU 159 CO 0.20 -0.08 0.85 0.15 -1.22 0.00 0.00 177.39 177.29 1th2 h PHE 160 N 0.00 -0.08 -0.76 -1.77 3.57 -1.40 0.35 116.94 116.84 1th2 h PHE 160 Ca 0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1th2 h PHE 160 Cb 0.89 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.59 1th2 h PHE 160 CO 0.00 -0.05 0.41 -1.35 -2.23 0.00 0.00 178.31 175.08 1th2 h PRO 161 N -0.06 0.66 0.23 6.41 0.11 -1.78 -0.97 132.00 136.60 1th2 h PRO 161 Ca 0.01 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1th2 h PRO 161 Cb 0.08 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.04 1th2 h PRO 161 CO -0.04 0.44 -0.11 0.77 -0.21 0.00 0.00 178.00 178.85 1th2 h SER 162 N 0.68 -0.26 -0.28 -2.05 0.02 -1.67 -0.96 113.55 109.03 1th2 h SER 162 Ca 0.37 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.35 1th2 h SER 162 Cb 0.38 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.92 1th2 h SER 162 CO -0.26 -0.16 -0.50 0.15 -1.14 0.00 0.00 176.83 174.91 1th2 h PHE 163 N -0.33 -1.52 -0.36 3.45 3.57 0.53 -1.26 116.94 121.02 1th2 h PHE 163 Ca -0.03 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.61 1th2 h PHE 163 Cb 0.25 0.70 -0.07 0.00 2.79 0.00 0.00 35.95 39.62 1th2 h PHE 163 CO -0.05 -0.46 -0.11 0.82 -2.23 0.00 0.00 178.31 176.27 1th2 h ILE 164 N -0.42 0.59 -0.87 1.41 1.08 -1.16 0.13 117.51 118.27 1th2 h ILE 164 Ca 0.05 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.74 1th2 h ILE 164 Cb 0.57 0.59 -0.13 0.00 -3.07 0.00 0.00 36.82 34.78 1th2 h ILE 164 CO -0.49 0.00 0.34 0.45 -0.69 0.00 0.00 178.15 177.76 1th2 h HIS 165 N -0.03 0.55 -0.35 1.37 3.86 -0.36 0.24 115.15 120.43 1th2 h HIS 165 Ca 0.18 0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.33 1th2 h HIS 165 Cb 0.30 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1th2 h HIS 165 CO -0.35 -0.08 -0.21 0.66 0.86 0.00 0.00 177.93 178.81 1th2 h SER 166 N 0.35 0.68 0.00 2.45 4.64 0.11 -2.61 113.55 119.16 1th2 h SER 166 Ca 0.54 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1th2 h SER 166 Cb 1.03 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1th2 h SER 166 CO -0.55 0.88 0.00 0.00 -0.87 0.00 0.00 176.83 176.29 1th2 n GLN 167 N -4.13 0.70 0.00 4.77 1.13 0.79 -3.86 117.38 116.79 1th2 n GLN 167 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1th2 n GLN 167 Cb 0.41 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.32 1th2 n GLN 167 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1th2 n LYS 168 N -0.94 3.71 -2.47 -1.09 5.02 -0.86 -4.83 118.16 116.69 1th2 n LYS 168 Ca 0.15 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.15 1th2 n LYS 168 Cb 0.07 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.08 1th2 n LYS 168 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1th2 s ARG 169 N 3.06 3.57 0.13 1.97 0.52 -1.26 -4.05 118.95 122.89 1th2 s ARG 169 Ca 0.00 0.34 -0.30 0.00 -0.52 0.00 0.00 55.73 55.25 1th2 s ARG 169 Cb 0.00 -2.31 -0.07 0.00 0.52 0.00 0.00 34.95 33.09 1th2 s ARG 169 CO 0.00 -0.28 1.18 1.21 0.02 0.00 0.00 175.30 177.43 1th2 s ASN 170 N -4.07 7.11 0.64 0.23 3.84 0.29 -4.84 114.94 118.15 1th2 s ASN 170 Ca 0.49 2.12 0.25 0.00 0.21 0.00 0.00 52.86 55.93 1th2 s ASN 170 Cb -0.10 -2.59 1.27 0.00 -0.55 0.00 0.00 41.25 39.27 1th2 s ASN 170 CO 0.46 -0.39 1.71 1.55 -2.79 0.00 0.00 177.10 177.65 1th2 h PRO 171 N 5.90 0.00 0.00 0.43 0.13 -1.95 0.12 132.00 136.62 1th2 h PRO 171 Ca -0.43 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 1th2 h PRO 171 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1th2 h PRO 171 CO 0.77 0.00 -1.16 0.94 -0.23 0.00 0.00 178.00 178.32 1th2 n GLN 172 N -3.11 0.31 0.13 0.86 7.27 -1.26 -4.74 117.38 116.85 1th2 n GLN 172 Ca 0.04 0.13 -0.00 0.00 0.07 0.00 0.00 57.00 57.24 1th2 n GLN 172 Cb 0.67 -1.04 0.09 0.00 2.41 0.00 0.00 30.24 32.37 1th2 n GLN 172 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1th2 h THR 173 N -0.57 1.23 -0.26 1.69 1.35 -1.95 -3.47 112.91 110.93 1th2 h THR 173 Ca -0.18 -2.38 -0.10 0.00 -0.55 0.00 0.00 66.41 63.20 1th2 h THR 173 Cb 0.92 2.37 -0.04 0.00 -1.73 0.00 0.00 68.15 69.67 1th2 h THR 173 CO -0.11 0.62 -0.09 1.57 -0.25 0.00 0.00 175.52 177.26 1th2 n HIS 174 N -3.45 -0.01 -3.54 4.73 -0.00 0.40 -4.92 115.22 108.42 1th2 n HIS 174 Ca 0.00 0.00 -0.22 0.00 0.46 0.00 0.00 57.72 57.97 1th2 n HIS 174 Cb 0.72 -1.22 -0.01 0.00 -0.12 0.00 0.00 29.99 29.36 1th2 n HIS 174 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1th2 s LEU 175 N -1.11 3.21 -0.10 0.27 1.43 -1.26 -4.58 118.68 116.53 1th2 s LEU 175 Ca 0.00 -0.86 -0.26 0.00 -1.03 0.00 0.00 54.13 51.98 1th2 s LEU 175 Cb 0.00 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1th2 s LEU 175 CO 0.00 -0.85 0.82 -0.54 0.23 0.00 0.00 176.35 176.01 1th2 s LYS 176 N -4.25 4.40 -0.41 1.70 -0.14 -1.26 0.11 119.74 119.89 1th2 s LYS 176 Ca 0.47 1.06 -0.07 0.00 -1.36 0.00 0.00 55.97 56.06 1th2 s LYS 176 Cb -0.04 -3.51 0.09 0.00 -1.68 0.00 0.00 37.83 32.70 1th2 s LYS 176 CO 0.28 -0.13 0.24 0.34 -0.76 0.00 0.00 175.35 175.32 1th2 s ASP 177 N 1.00 5.51 0.34 2.83 -1.08 -1.26 -4.92 116.67 119.09 1th2 s ASP 177 Ca 0.41 -1.63 0.01 0.00 -0.52 0.00 0.00 52.55 50.82 1th2 s ASP 177 Cb -0.18 -1.94 0.60 0.00 -1.46 0.00 0.00 42.92 39.94 1th2 s ASP 177 CO 0.18 -0.54 2.00 -0.65 0.52 0.00 0.00 175.17 176.68 1th2 h PRO 178 N 8.31 0.88 -0.03 4.34 0.11 -1.93 -1.32 132.00 142.37 1th2 h PRO 178 Ca -0.21 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.89 1th2 h PRO 178 Cb 1.07 -0.20 -0.06 0.00 0.11 0.00 0.00 31.00 31.93 1th2 h PRO 178 CO 0.74 0.59 -0.36 -0.44 -0.21 0.00 0.00 178.00 178.32 1th2 h ASP 179 N 0.91 -1.09 -0.19 -2.05 5.19 -1.93 0.32 116.42 117.59 1th2 h ASP 179 Ca 0.25 0.14 0.05 0.00 -0.62 0.00 0.00 57.03 56.85 1th2 h ASP 179 Cb -0.10 0.44 -0.07 0.00 0.18 0.00 0.00 39.33 39.77 1th2 h ASP 179 CO -0.05 -0.41 -0.40 0.24 -3.12 0.00 0.00 179.24 175.50 1th2 h MET 180 N -0.50 -0.42 -0.22 3.56 2.86 -1.64 0.47 114.93 119.05 1th2 h MET 180 Ca 0.06 0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.79 1th2 h MET 180 Cb 0.59 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.28 1th2 h MET 180 CO -0.31 -0.28 -0.37 0.28 1.06 0.00 0.00 176.91 177.29 1th2 h VAL 181 N -0.44 0.20 0.00 -2.22 2.07 -0.52 -2.34 116.25 113.00 1th2 h VAL 181 Ca 0.09 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.50 1th2 h VAL 181 Cb 0.60 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1th2 h VAL 181 CO -0.42 0.00 -0.56 -0.50 0.02 0.00 0.00 177.57 176.10 1th2 h TRP 182 N -0.40 0.00 -0.66 1.57 4.06 -0.71 -2.64 115.95 117.17 1th2 h TRP 182 Ca 0.11 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.05 1th2 h TRP 182 Cb 0.58 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.71 1th2 h TRP 182 CO -0.49 0.56 0.39 0.22 -3.56 0.00 0.00 178.44 175.57 1th2 h ASP 183 N 0.00 0.80 0.33 -3.49 3.58 0.15 0.61 116.42 118.39 1th2 h ASP 183 Ca -0.01 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 1th2 h ASP 183 Cb 1.43 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1th2 h ASP 183 CO 0.07 0.63 -0.16 0.15 -2.88 0.00 0.00 179.24 177.06 1th2 h PHE 184 N 0.90 -0.41 -0.08 0.28 3.57 -1.40 -2.63 116.94 117.17 1th2 h PHE 184 Ca 0.24 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1th2 h PHE 184 Cb -0.01 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1th2 h PHE 184 CO -0.01 -0.10 0.02 -1.49 -2.23 0.00 0.00 178.31 174.50 1th2 h TRP 185 N -0.73 0.04 -1.00 0.41 6.55 -1.31 -1.32 115.95 118.59 1th2 h TRP 185 Ca -0.05 0.00 0.22 0.00 0.95 0.00 0.00 58.89 60.02 1th2 h TRP 185 Cb 0.50 -0.01 -0.10 0.00 -0.86 0.00 0.00 29.16 28.69 1th2 h TRP 185 CO 0.01 0.02 0.62 0.66 -1.05 0.00 0.00 178.44 178.71 1th2 h SER 186 N 0.06 0.62 1.39 -3.49 4.64 0.20 -0.16 113.55 116.82 1th2 h SER 186 Ca 0.03 0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.35 1th2 h SER 186 Cb 0.02 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1th2 h SER 186 CO -0.03 0.18 -0.63 -0.07 -0.87 0.00 0.00 176.83 175.41 1th2 h LEU 187 N 0.58 0.00 -6.79 5.97 3.38 -1.09 -3.40 115.31 113.96 1th2 h LEU 187 Ca 0.57 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.87 1th2 h LEU 187 Cb 1.15 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.53 1th2 h LEU 187 CO -0.34 0.38 -0.18 0.54 0.09 0.00 0.00 178.44 178.93 1th2 n ARG 188 N -3.09 2.84 0.00 1.13 5.12 -0.07 -4.92 116.66 117.67 1th2 n ARG 188 Ca 0.00 -4.57 0.00 0.00 -1.93 0.00 0.00 57.85 51.35 1th2 n ARG 188 Cb 0.70 -2.36 0.00 0.00 -1.16 0.00 0.00 32.46 29.64 1th2 n ARG 188 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1th2 n PRO 189 N 1.53 0.00 0.22 5.56 -0.02 -1.24 -1.70 135.00 139.35 1th2 n PRO 189 Ca 0.25 0.30 0.15 0.00 -2.02 0.00 0.00 63.50 62.19 1th2 n PRO 189 Cb 0.37 -1.63 0.66 0.00 -0.02 0.00 0.00 33.50 32.88 1th2 n PRO 189 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1th2 h GLU 190 N 0.00 0.00 0.00 -0.52 9.09 -1.87 -2.93 114.58 118.35 1th2 h GLU 190 Ca 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.27 1th2 h GLU 190 Cb 0.26 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.34 1th2 h GLU 190 CO 0.00 0.00 -0.68 0.66 0.05 0.00 0.00 179.01 179.04 1th2 h SER 191 N 0.00 0.00 -0.41 3.06 4.64 -0.99 -3.37 113.55 116.48 1th2 h SER 191 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1th2 h SER 191 Cb 0.38 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.41 1th2 h SER 191 CO 0.00 0.68 -0.16 0.18 -0.87 0.00 0.00 176.83 176.66 1th2 n LEU 192 N -3.56 -0.26 0.05 5.97 4.77 -1.11 -0.05 117.00 122.81 1th2 n LEU 192 Ca -0.00 0.72 -0.11 0.00 -0.03 0.00 0.00 56.01 56.59 1th2 n LEU 192 Cb 0.71 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1th2 n LEU 192 CO 0.42 -0.65 0.51 -0.74 -1.33 0.00 0.00 177.39 175.60 1th2 h HIS 193 N 0.00 -1.08 -0.50 -1.77 2.76 -1.83 -0.41 115.15 112.33 1th2 h HIS 193 Ca 0.15 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.24 1th2 h HIS 193 Cb 0.25 0.47 -0.02 0.00 1.55 0.00 0.00 27.41 29.66 1th2 h HIS 193 CO -0.36 -0.40 -0.12 0.37 -1.30 0.00 0.00 177.93 176.12 1th2 h GLN 194 N -0.48 0.93 -0.33 5.26 -0.00 -0.93 -2.42 115.11 117.14 1th2 h GLN 194 Ca 0.00 -0.34 0.10 0.00 -0.00 0.00 0.00 58.65 58.42 1th2 h GLN 194 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.91 1th2 h GLN 194 CO -0.23 0.99 0.28 0.28 0.00 0.00 0.00 178.83 180.15 1th2 h VAL 195 N 0.83 0.63 0.01 2.39 2.07 -0.16 0.27 116.25 122.29 1th2 h VAL 195 Ca 0.13 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 1th2 h VAL 195 Cb 0.65 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1th2 h VAL 195 CO 0.05 0.00 -0.31 0.28 0.02 0.00 0.00 177.57 177.60 1th2 h SER 196 N 0.00 0.04 0.03 0.57 0.02 -0.69 -3.01 113.55 110.51 1th2 h SER 196 Ca 0.16 -0.91 0.02 0.00 -0.84 0.00 0.00 61.79 60.22 1th2 h SER 196 Cb 0.72 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.21 1th2 h SER 196 CO -0.00 1.13 -0.20 0.15 -1.14 0.00 0.00 176.83 176.77 1th2 h PHE 197 N -0.93 -0.52 -0.65 3.45 3.04 -0.88 -2.02 116.94 118.42 1th2 h PHE 197 Ca -0.08 0.02 0.14 0.00 3.98 0.00 0.00 57.97 62.02 1th2 h PHE 197 Cb 1.12 0.23 -0.11 0.00 2.56 0.00 0.00 35.95 39.75 1th2 h PHE 197 CO 0.24 -0.28 0.01 1.25 -2.02 0.00 0.00 178.31 177.51 1th2 h LEU 198 N -0.34 -0.27 -0.05 0.59 5.85 -0.63 0.15 115.31 120.62 1th2 h LEU 198 Ca 0.05 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1th2 h LEU 198 Cb 0.40 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1th2 h LEU 198 CO -0.16 -0.12 0.00 0.49 -0.34 0.00 0.00 178.44 178.31 1th2 n PHE 199 N -5.28 0.01 -2.50 1.25 3.01 -0.95 -2.86 117.46 110.13 1th2 n PHE 199 Ca 0.10 -0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.33 1th2 n PHE 199 Cb 0.38 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.89 1th2 n PHE 199 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1th2 s SER 200 N -1.68 5.19 0.62 4.37 1.04 0.52 -4.37 113.70 119.39 1th2 s SER 200 Ca 0.33 0.22 0.22 0.00 0.48 0.00 0.00 55.95 57.20 1th2 s SER 200 Cb 0.15 -1.07 0.86 0.00 0.10 0.00 0.00 66.02 66.07 1th2 s SER 200 CO 0.25 -1.25 1.36 0.44 0.98 0.00 0.00 173.24 175.03 1th2 h ASP 201 N -0.14 0.00 0.39 7.02 3.32 -1.87 0.48 116.42 125.62 1th2 h ASP 201 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1th2 h ASP 201 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1th2 h ASP 201 CO 0.56 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.62 1th2 n ARG 202 N -3.15 0.22 0.26 3.56 5.12 -1.26 -3.41 116.66 118.00 1th2 n ARG 202 Ca 0.15 0.12 0.15 0.00 -1.93 0.00 0.00 57.85 56.35 1th2 n ARG 202 Cb 1.24 -1.50 0.61 0.00 -1.16 0.00 0.00 32.46 31.66 1th2 n ARG 202 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1th2 h GLY 203 N 3.09 0.00 -6.59 -0.13 0.00 0.12 -3.36 103.07 96.19 1th2 h GLY 203 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1th2 h GLY 203 CO 0.00 0.00 -0.86 -0.42 0.00 0.00 0.00 176.54 175.26 1th2 s ILE 204 N -3.67 0.95 0.61 2.60 1.01 -1.22 -1.74 121.20 119.74 1th2 s ILE 204 Ca 0.01 -2.89 -0.19 0.00 0.00 0.00 0.00 60.65 57.58 1th2 s ILE 204 Cb 0.09 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 1th2 s ILE 204 CO 0.57 -1.13 1.25 -2.16 0.00 0.00 0.00 174.94 173.47 1th2 s PRO 205 N -0.14 2.82 -1.00 2.79 0.04 -1.26 -1.31 135.00 136.94 1th2 s PRO 205 Ca 0.28 1.95 -0.22 0.00 0.04 0.00 0.00 61.00 63.05 1th2 s PRO 205 Cb -0.03 -1.92 0.06 0.00 0.04 0.00 0.00 34.50 32.65 1th2 s PRO 205 CO -0.15 -1.36 1.39 0.34 0.04 0.00 0.00 177.00 177.26 1th2 s ASP 206 N -1.47 6.52 0.19 6.66 -1.08 -0.10 -4.45 116.67 122.94 1th2 s ASP 206 Ca 0.79 -1.55 0.00 0.00 -0.52 0.00 0.00 52.55 51.28 1th2 s ASP 206 Cb -0.34 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.58 1th2 s ASP 206 CO 0.37 -1.44 0.00 0.61 0.52 0.00 0.00 175.17 175.23 1th2 n GLY 207 N 6.64 -1.72 0.06 2.66 0.00 -1.26 -3.94 105.19 107.64 1th2 n GLY 207 Ca 0.31 -1.33 -0.07 0.00 0.00 0.00 0.00 46.02 44.93 1th2 n GLY 207 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1th2 h HIS 208 N -0.70 0.02 0.00 1.61 3.86 -1.88 -3.30 115.15 114.75 1th2 h HIS 208 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1th2 h HIS 208 Cb 0.68 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.15 1th2 h HIS 208 CO -1.46 1.01 0.00 0.54 0.86 0.00 0.00 177.93 178.88 1th2 n ARG 209 N -3.35 0.06 -2.65 2.45 1.74 -1.26 -3.62 116.66 110.03 1th2 n ARG 209 Ca -0.01 0.41 -0.30 0.00 -0.77 0.00 0.00 57.85 57.18 1th2 n ARG 209 Cb 0.95 -1.64 -0.01 0.00 -1.02 0.00 0.00 32.46 30.73 1th2 n ARG 209 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1th2 n HIS 210 N -1.76 3.59 -3.50 -1.55 8.25 -1.24 -4.45 115.22 114.54 1th2 n HIS 210 Ca 0.02 -3.37 -0.15 0.00 -0.26 0.00 0.00 57.72 53.95 1th2 n HIS 210 Cb 0.12 -0.51 -0.05 0.00 1.12 0.00 0.00 29.99 30.67 1th2 n HIS 210 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1th2 s MET 211 N -3.66 1.05 0.70 -0.41 0.23 -1.24 -3.21 119.30 112.76 1th2 s MET 211 Ca 0.48 0.06 -0.10 0.00 -1.03 0.00 0.00 55.69 55.10 1th2 s MET 211 Cb 0.32 0.49 0.03 0.00 -1.53 0.00 0.00 34.83 34.15 1th2 s MET 211 CO -0.18 -0.37 1.06 -0.51 -2.03 0.00 0.00 175.02 172.99 1th2 s ASP 212 N -1.59 5.17 -0.01 -1.18 1.01 -1.26 -3.93 116.67 114.88 1th2 s ASP 212 Ca -0.07 0.86 0.05 0.00 0.71 0.00 0.00 52.55 54.10 1th2 s ASP 212 Cb -0.00 -1.61 -0.01 0.00 1.01 0.00 0.00 42.92 42.31 1th2 s ASP 212 CO 0.03 -1.44 -0.17 -0.83 0.21 0.00 0.00 175.17 172.97 1th2 s GLY 213 N -4.42 0.81 0.07 0.21 0.00 0.14 -4.39 107.32 99.75 1th2 s GLY 213 Ca 0.58 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.60 1th2 s GLY 213 CO 0.49 -0.60 -0.08 -0.19 0.00 0.00 0.00 173.10 172.71 1th2 s TYR 214 N -0.41 0.80 -0.23 1.90 2.02 -0.95 -0.01 117.35 120.47 1th2 s TYR 214 Ca 0.06 -0.65 0.18 0.00 -0.37 0.00 0.00 57.07 56.29 1th2 s TYR 214 Cb -0.06 -0.47 0.11 0.00 -0.40 0.00 0.00 41.96 41.14 1th2 s TYR 214 CO -0.01 -0.09 1.40 0.78 -1.57 0.00 0.00 175.55 176.06 1th2 h GLY 215 N 3.89 0.00 0.00 0.71 0.00 -0.99 -3.19 103.07 103.49 1th2 h GLY 215 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1th2 h GLY 215 CO 0.50 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.48 1th2 n SER 216 N -3.13 0.00 -4.81 0.19 7.64 -1.26 -4.82 113.62 107.43 1th2 n SER 216 Ca 0.01 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.57 1th2 n SER 216 Cb 0.68 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.89 1th2 n SER 216 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1th2 s HIS 217 N 0.00 3.09 0.05 1.43 3.76 -1.26 -4.82 115.29 117.54 1th2 s HIS 217 Ca 0.00 1.48 -0.23 0.00 -0.15 0.00 0.00 55.06 56.17 1th2 s HIS 217 Cb 0.00 -2.95 -0.06 0.00 1.11 0.00 0.00 32.58 30.68 1th2 s HIS 217 CO 0.00 -1.03 0.68 0.99 -0.85 0.00 0.00 174.74 174.53 1th2 s THR 218 N -2.61 4.74 0.47 1.30 2.01 -1.26 -4.57 115.64 115.72 1th2 s THR 218 Ca 0.62 1.45 0.03 0.00 0.31 0.00 0.00 61.69 64.10 1th2 s THR 218 Cb -0.15 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1th2 s THR 218 CO 0.40 0.43 0.01 -0.36 -0.69 0.00 0.00 174.62 174.41 1th2 s PHE 219 N -0.39 2.08 -0.12 4.92 0.40 0.27 -3.61 117.98 121.53 1th2 s PHE 219 Ca 0.34 -0.88 0.02 0.00 -0.60 0.00 0.00 56.93 55.82 1th2 s PHE 219 Cb -0.20 -1.63 0.01 0.00 0.51 0.00 0.00 43.02 41.71 1th2 s PHE 219 CO 0.21 0.27 -0.20 0.21 0.70 0.00 0.00 175.22 176.41 1th2 s LYS 220 N -3.81 2.73 -0.07 0.44 2.20 0.30 0.14 119.74 121.67 1th2 s LYS 220 Ca 0.17 -0.75 -0.04 0.00 -0.36 0.00 0.00 55.97 54.99 1th2 s LYS 220 Cb 0.05 -2.22 -0.04 0.00 -1.51 0.00 0.00 37.83 34.11 1th2 s LYS 220 CO 0.09 -0.01 0.11 -0.51 -0.36 0.00 0.00 175.35 174.67 1th2 s LEU 221 N 0.82 4.16 -0.09 5.43 1.43 0.23 0.83 118.68 131.48 1th2 s LEU 221 Ca -0.08 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1th2 s LEU 221 Cb -0.16 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 43.93 1th2 s LEU 221 CO -0.01 0.35 -0.07 -0.69 0.23 0.00 0.00 176.35 176.17 1th2 s VAL 222 N -1.08 0.86 0.24 -1.59 1.01 -0.61 -1.04 120.40 118.20 1th2 s VAL 222 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1th2 s VAL 222 Cb -0.12 -0.89 0.05 0.00 0.00 0.00 0.00 36.38 35.42 1th2 s VAL 222 CO 0.08 0.33 0.33 -0.46 0.00 0.00 0.00 175.10 175.38 1th2 n ASN 223 N 4.66 0.33 0.28 3.32 0.23 -0.39 -0.79 115.26 122.90 1th2 n ASN 223 Ca -0.15 -1.31 0.14 0.00 -0.53 0.00 0.00 54.58 52.74 1th2 n ASN 223 Cb 0.50 -0.22 0.82 0.00 -2.08 0.00 0.00 39.78 38.80 1th2 n ASN 223 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1th2 h ALA 224 N -0.80 1.34 -0.54 -2.53 0.00 -1.89 -1.10 119.26 113.75 1th2 h ALA 224 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1th2 h ALA 224 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1th2 h ALA 224 CO 0.11 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.19 1th2 n ASP 225 N -3.66 2.87 -0.10 0.00 8.00 -1.26 -4.87 116.55 117.52 1th2 n ASP 225 Ca -0.02 -2.00 -0.01 0.00 0.71 0.00 0.00 54.79 53.46 1th2 n ASP 225 Cb 0.18 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 40.91 1th2 n ASP 225 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1th2 n GLY 226 N 1.35 0.48 3.67 0.44 0.00 -0.41 -4.98 105.19 105.74 1th2 n GLY 226 Ca 0.18 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1th2 n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1th2 s GLU 227 N -1.00 4.31 0.11 1.61 2.02 -1.26 -4.80 118.70 119.69 1th2 s GLU 227 Ca 0.00 1.44 0.05 0.00 0.02 0.00 0.00 54.97 56.48 1th2 s GLU 227 Cb 0.00 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 1th2 s GLU 227 CO 0.00 -0.54 -0.00 0.00 0.02 0.00 0.00 175.26 174.74 1th2 s ALA 228 N 2.82 3.27 0.06 5.21 0.00 -1.26 -1.26 121.76 130.60 1th2 s ALA 228 Ca 0.48 -1.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 1th2 s ALA 228 Cb -0.18 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.81 1th2 s ALA 228 CO 0.12 0.65 0.27 0.08 0.00 0.00 0.00 175.76 176.88 1th2 s VAL 229 N -1.39 0.10 0.37 0.00 1.01 -0.20 -4.62 120.40 115.66 1th2 s VAL 229 Ca 0.26 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1th2 s VAL 229 Cb -0.11 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1th2 s VAL 229 CO 0.18 -0.45 0.60 -0.31 0.00 0.00 0.00 175.10 175.12 1th2 s TYR 230 N -3.00 3.51 0.27 5.22 2.02 0.44 0.74 117.35 126.56 1th2 s TYR 230 Ca -0.02 0.51 -0.18 0.00 -0.37 0.00 0.00 57.07 57.02 1th2 s TYR 230 Cb 0.01 -2.03 0.01 0.00 -0.40 0.00 0.00 41.96 39.55 1th2 s TYR 230 CO -0.06 0.04 0.63 0.00 -1.57 0.00 0.00 175.55 174.59 1th2 s LYS 232 N -3.89 0.64 -0.18 0.00 -0.14 -1.03 -0.56 119.74 114.57 1th2 s LYS 232 Ca 0.16 -0.14 -0.10 0.00 -1.36 0.00 0.00 55.97 54.53 1th2 s LYS 232 Cb -0.04 -0.65 -0.05 0.00 -1.68 0.00 0.00 37.83 35.41 1th2 s LYS 232 CO 0.08 0.01 0.14 -0.06 -0.76 0.00 0.00 175.35 174.76 1th2 s PHE 233 N 0.45 3.45 -0.02 3.18 0.08 -1.26 -1.11 117.98 122.75 1th2 s PHE 233 Ca -0.06 0.38 0.01 0.00 0.12 0.00 0.00 56.93 57.38 1th2 s PHE 233 Cb -0.09 -2.12 0.01 0.00 -0.57 0.00 0.00 43.02 40.24 1th2 s PHE 233 CO -0.00 0.37 -0.03 -1.01 -0.10 0.00 0.00 175.22 174.46 1th2 s HIS 234 N 0.10 0.37 -0.35 0.36 3.76 -0.74 -0.30 115.29 118.49 1th2 s HIS 234 Ca 0.10 -0.06 -0.00 0.00 -0.15 0.00 0.00 55.06 54.95 1th2 s HIS 234 Cb -0.11 -0.32 0.12 0.00 1.11 0.00 0.00 32.58 33.38 1th2 s HIS 234 CO -0.01 -0.06 0.16 1.52 -0.85 0.00 0.00 174.74 175.50 1th2 s TYR 235 N 0.36 1.54 0.21 1.40 1.13 0.98 0.20 117.35 123.17 1th2 s TYR 235 Ca -0.04 -1.86 -0.30 0.00 -1.41 0.00 0.00 57.07 53.47 1th2 s TYR 235 Cb -0.07 -1.59 -0.08 0.00 -1.10 0.00 0.00 41.96 39.12 1th2 s TYR 235 CO -0.01 -0.84 0.95 0.15 -2.51 0.00 0.00 175.55 173.30 1th2 s LYS 236 N 1.20 4.82 0.54 -3.49 1.02 -0.46 -0.68 119.74 122.69 1th2 s LYS 236 Ca 0.13 1.49 -0.22 0.00 0.02 0.00 0.00 55.97 57.40 1th2 s LYS 236 Cb -0.20 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 1th2 s LYS 236 CO -0.15 0.44 1.36 -0.08 -0.92 0.00 0.00 175.35 176.00 1th2 s THR 237 N -0.92 2.11 -0.99 2.17 -1.32 -1.25 -1.39 115.64 114.05 1th2 s THR 237 Ca 0.42 0.09 0.21 0.00 -1.21 0.00 0.00 61.69 61.20 1th2 s THR 237 Cb -0.26 -3.04 -0.22 0.00 -1.51 0.00 0.00 72.50 67.47 1th2 s THR 237 CO 0.32 -0.00 0.88 0.47 -2.21 0.00 0.00 174.62 174.08 1th2 n ASP 238 N -0.94 0.99 -0.32 8.08 8.00 -0.49 -4.05 116.55 127.81 1th2 n ASP 238 Ca 0.10 -0.99 0.13 0.00 0.71 0.00 0.00 54.79 54.74 1th2 n ASP 238 Cb 0.45 1.00 0.61 0.00 -0.02 0.00 0.00 41.12 43.16 1th2 n ASP 238 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th2 n GLN 239 N -1.48 1.44 0.00 -1.24 3.00 -1.26 -5.02 117.38 112.82 1th2 n GLN 239 Ca 0.04 -0.64 0.00 0.00 -0.01 0.00 0.00 57.00 56.39 1th2 n GLN 239 Cb 0.32 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 29.11 1th2 n GLN 239 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1th2 n GLY 240 N 1.08 -2.22 3.69 1.08 0.00 -1.26 -4.90 105.19 102.67 1th2 n GLY 240 Ca 0.19 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1th2 n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th2 s ILE 241 N -2.11 3.80 -0.03 -0.61 -1.09 -1.26 -4.53 121.20 115.37 1th2 s ILE 241 Ca 0.00 1.16 -0.01 0.00 -2.23 0.00 0.00 60.65 59.57 1th2 s ILE 241 Cb 0.00 -3.75 0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1th2 s ILE 241 CO 0.00 -0.01 0.06 -0.75 -1.23 0.00 0.00 174.94 173.01 1th2 s LYS 242 N 2.45 0.01 0.05 2.79 2.36 -1.20 -5.05 119.74 121.16 1th2 s LYS 242 Ca 0.63 0.20 0.01 0.00 -2.55 0.00 0.00 55.97 54.26 1th2 s LYS 242 Cb -0.30 -0.17 -0.03 0.00 -1.05 0.00 0.00 37.83 36.28 1th2 s LYS 242 CO 0.26 -0.13 -0.05 -0.80 1.55 0.00 0.00 175.35 176.17 1th2 s ASN 243 N 0.85 0.69 0.32 1.43 0.01 -1.26 -0.92 114.94 116.06 1th2 s ASN 243 Ca -0.07 -0.72 -0.21 0.00 -0.71 0.00 0.00 52.86 51.15 1th2 s ASN 243 Cb -0.10 0.10 -0.10 0.00 0.41 0.00 0.00 41.25 41.57 1th2 s ASN 243 CO -0.03 -0.36 0.84 -0.76 -1.51 0.00 0.00 177.10 175.28 1th2 s LEU 244 N -2.12 4.20 0.43 0.60 1.43 -0.42 -4.71 118.68 118.08 1th2 s LEU 244 Ca -0.04 1.58 -0.14 0.00 -1.03 0.00 0.00 54.13 54.50 1th2 s LEU 244 Cb -0.03 -4.03 -0.08 0.00 0.03 0.00 0.00 46.19 42.08 1th2 s LEU 244 CO -0.03 -0.13 0.85 -0.94 0.23 0.00 0.00 176.35 176.32 1th2 s SER 245 N -1.88 6.64 0.57 2.29 1.04 -1.26 -4.75 113.70 116.35 1th2 s SER 245 Ca 0.52 1.35 0.31 0.00 0.48 0.00 0.00 55.95 58.61 1th2 s SER 245 Cb -0.14 -2.41 1.45 0.00 0.10 0.00 0.00 66.02 65.01 1th2 s SER 245 CO 0.19 -0.42 1.81 0.58 0.98 0.00 0.00 173.24 176.39 1th2 h VAL 246 N 1.29 0.38 0.31 5.02 2.07 -1.97 0.19 116.25 123.55 1th2 h VAL 246 Ca -0.47 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 1th2 h VAL 246 Cb 1.18 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1th2 h VAL 246 CO 0.63 0.00 -0.15 -0.33 0.02 0.00 0.00 177.57 177.74 1th2 h GLU 247 N 0.00 -0.40 -0.63 1.57 4.39 -1.99 -2.22 114.58 115.29 1th2 h GLU 247 Ca 0.38 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.11 1th2 h GLU 247 Cb 1.75 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 30.46 1th2 h GLU 247 CO -0.00 -0.27 0.39 -0.44 -1.16 0.00 0.00 179.01 177.52 1th2 h ASP 248 N -0.83 0.75 -0.71 1.42 3.32 -1.81 -1.74 116.42 116.82 1th2 h ASP 248 Ca -0.04 -0.05 0.14 0.00 0.02 0.00 0.00 57.03 57.09 1th2 h ASP 248 Cb 0.32 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 1th2 h ASP 248 CO 0.07 0.58 0.48 0.00 -1.72 0.00 0.00 179.24 178.65 1th2 h ALA 249 N 1.20 2.11 0.00 3.45 0.00 -0.74 0.45 119.26 125.74 1th2 h ALA 249 Ca 0.23 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 1th2 h ALA 249 Cb -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1th2 h ALA 249 CO -0.04 -0.30 -0.86 0.00 0.00 0.00 0.00 179.25 178.05 1th2 h ALA 250 N 1.66 0.64 0.12 0.00 0.00 -0.77 -2.80 119.26 118.10 1th2 h ALA 250 Ca 0.34 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1th2 h ALA 250 Cb 0.79 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1th2 h ALA 250 CO -0.10 0.78 -0.06 -0.09 0.00 0.00 0.00 179.25 179.78 1th2 h ARG 251 N 0.00 -0.16 -0.91 0.00 2.43 -0.07 -3.20 114.38 112.47 1th2 h ARG 251 Ca -0.06 0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.31 1th2 h ARG 251 Cb 1.49 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 31.00 1th2 h ARG 251 CO 0.06 0.32 0.59 -0.07 -1.51 0.00 0.00 179.97 179.36 1th2 h LEU 252 N -0.86 0.48 -1.42 3.80 3.38 -0.32 -0.64 115.31 119.74 1th2 h LEU 252 Ca -0.02 0.05 0.26 0.00 0.09 0.00 0.00 57.88 58.26 1th2 h LEU 252 Cb 0.55 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 1th2 h LEU 252 CO 0.03 0.20 0.67 0.00 0.09 0.00 0.00 178.44 179.43 1th2 h ALA 253 N 1.61 2.27 0.00 1.53 0.00 -1.49 0.79 119.26 123.98 1th2 h ALA 253 Ca 0.48 0.05 -0.27 0.00 0.00 0.00 0.00 54.91 55.16 1th2 h ALA 253 Cb 1.07 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1th2 h ALA 253 CO -0.20 -0.66 -2.02 -2.39 0.00 0.00 0.00 179.25 173.97 1th2 n HIS 254 N -4.59 0.00 -0.14 0.00 1.44 -0.49 -3.80 115.22 107.65 1th2 n HIS 254 Ca 0.25 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.84 1th2 n HIS 254 Cb 0.87 -0.73 -0.02 0.00 0.12 0.00 0.00 29.99 30.24 1th2 n HIS 254 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1th2 h GLU 255 N 0.00 0.85 -1.91 -1.40 5.08 -0.76 -3.39 114.58 113.05 1th2 h GLU 255 Ca -0.40 -0.37 -0.46 0.00 -1.00 0.00 0.00 59.36 57.13 1th2 h GLU 255 Cb 1.85 -0.03 -0.32 0.00 0.50 0.00 0.00 28.75 30.76 1th2 h GLU 255 CO 0.00 1.00 -0.84 -3.47 -1.00 0.00 0.00 179.01 174.70 1th2 n ASP 256 N -4.23 -1.31 0.17 1.42 -0.08 0.27 -4.98 116.55 107.80 1th2 n ASP 256 Ca -0.01 -2.56 0.18 0.00 -1.51 0.00 0.00 54.79 50.89 1th2 n ASP 256 Cb 0.42 0.12 0.80 0.00 2.34 0.00 0.00 41.12 44.80 1th2 n ASP 256 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1th2 h PRO 257 N 5.31 0.00 -0.70 -0.67 0.11 -1.65 -0.38 132.00 134.03 1th2 h PRO 257 Ca 0.19 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.97 1th2 h PRO 257 Cb 0.96 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.88 1th2 h PRO 257 CO 0.28 0.00 0.31 -0.25 -0.21 0.00 0.00 178.00 178.13 1th2 n ASP 258 N -3.80 3.44 -0.28 -2.05 8.00 -1.26 1.00 116.55 121.61 1th2 n ASP 258 Ca 0.03 -3.59 0.22 0.00 0.71 0.00 0.00 54.79 52.16 1th2 n ASP 258 Cb 0.41 -0.74 0.54 0.00 -0.02 0.00 0.00 41.12 41.31 1th2 n ASP 258 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1th2 h TYR 259 N 1.26 0.51 -0.20 1.24 5.03 -1.40 -1.06 116.97 122.36 1th2 h TYR 259 Ca 0.41 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.63 1th2 h TYR 259 Cb 2.31 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 40.43 1th2 h TYR 259 CO 1.31 0.09 -0.31 0.78 -1.32 0.00 0.00 178.16 178.72 1th2 h GLY 260 N 0.35 0.61 0.59 1.82 0.00 -1.85 -2.18 103.07 102.40 1th2 h GLY 260 Ca 0.52 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1th2 h GLY 260 CO -0.20 0.61 -0.39 1.41 0.00 0.00 0.00 176.54 177.98 1th2 h LEU 261 N 0.22 -0.99 -1.47 3.11 3.38 -1.60 -2.00 115.31 115.96 1th2 h LEU 261 Ca 0.02 0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.29 1th2 h LEU 261 Cb 0.89 0.29 -0.08 0.00 0.09 0.00 0.00 40.66 41.85 1th2 h LEU 261 CO 0.07 -0.58 0.65 -0.09 0.09 0.00 0.00 178.44 178.58 1th2 h ARG 262 N -0.93 0.36 -0.04 1.13 2.43 -1.31 -1.24 114.38 114.79 1th2 h ARG 262 Ca -0.08 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 1th2 h ARG 262 Cb 0.75 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1th2 h ARG 262 CO 0.07 0.24 -0.08 0.22 -1.51 0.00 0.00 179.97 178.91 1th2 h ASP 263 N 0.37 0.14 -0.37 -3.80 1.82 -1.18 -2.52 116.42 110.89 1th2 h ASP 263 Ca 0.54 -0.56 -0.06 0.00 -0.39 0.00 0.00 57.03 56.56 1th2 h ASP 263 Cb 1.41 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 41.36 1th2 h ASP 263 CO -0.22 0.67 0.02 0.25 -1.61 0.00 0.00 179.24 178.35 1th2 h LEU 264 N -0.38 0.69 0.48 2.28 5.85 -0.59 -2.24 115.31 121.39 1th2 h LEU 264 Ca 0.00 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 1th2 h LEU 264 Cb 0.65 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1th2 h LEU 264 CO 0.02 0.75 -0.23 0.15 -0.34 0.00 0.00 178.44 178.79 1th2 h PHE 265 N 0.69 -0.59 -0.51 1.25 3.04 -1.30 -2.91 116.94 116.60 1th2 h PHE 265 Ca 0.14 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.16 1th2 h PHE 265 Cb 0.39 0.20 -0.07 0.00 2.56 0.00 0.00 35.95 39.03 1th2 h PHE 265 CO 0.02 -0.27 0.14 -0.91 -2.02 0.00 0.00 178.31 175.27 1th2 h ASN 266 N -0.90 0.09 -0.58 0.41 2.35 -1.43 0.57 115.58 116.09 1th2 h ASN 266 Ca -0.07 0.08 0.10 0.00 -0.55 0.00 0.00 56.30 55.86 1th2 h ASN 266 Cb 0.59 0.09 -0.08 0.00 0.05 0.00 0.00 38.32 38.97 1th2 h ASN 266 CO 0.11 0.07 0.16 0.00 -1.65 0.00 0.00 177.43 176.12 1th2 h ALA 267 N 1.37 0.71 0.04 -0.83 0.00 -1.43 0.35 119.26 119.47 1th2 h ALA 267 Ca 0.25 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1th2 h ALA 267 Cb 0.32 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1th2 h ALA 267 CO -0.30 -0.27 -0.02 0.82 0.00 0.00 0.00 179.25 179.48 1th2 h ILE 268 N 0.30 1.34 -1.15 0.00 2.04 -1.17 0.39 117.51 119.27 1th2 h ILE 268 Ca 0.30 -1.47 0.33 0.00 1.00 0.00 0.00 64.86 65.01 1th2 h ILE 268 Cb 0.41 2.28 -0.09 0.00 -0.74 0.00 0.00 36.82 38.69 1th2 h ILE 268 CO -0.35 0.36 0.77 0.00 0.00 0.00 0.00 178.15 178.92 1th2 h ALA 269 N 0.13 2.58 -0.58 1.87 0.00 0.51 0.60 119.26 124.37 1th2 h ALA 269 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1th2 h ALA 269 Cb 0.63 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1th2 h ALA 269 CO 0.01 -1.02 0.00 0.25 0.00 0.00 0.00 179.25 178.49 1th2 n THR 270 N -4.53 2.02 -0.14 0.00 -2.24 0.08 -4.93 114.28 104.54 1th2 n THR 270 Ca 0.28 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1th2 n THR 270 Cb 1.11 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1th2 n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1th2 n GLY 271 N 0.89 2.19 3.10 3.38 0.00 0.21 -4.91 105.19 110.06 1th2 n GLY 271 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1th2 n GLY 271 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1th2 n ASN 272 N 0.00 4.02 -4.72 1.61 2.85 0.14 -4.93 115.26 114.23 1th2 n ASN 272 Ca 0.00 -2.84 -0.42 0.00 -0.11 0.00 0.00 54.58 51.21 1th2 n ASN 272 Cb 0.00 -1.64 -0.03 0.00 1.24 0.00 0.00 39.78 39.35 1th2 n ASN 272 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 1th2 s TYR 273 N 4.23 3.16 0.44 1.20 2.02 -1.25 -4.13 117.35 123.00 1th2 s TYR 273 Ca 0.52 0.80 -0.14 0.00 -0.37 0.00 0.00 57.07 57.87 1th2 s TYR 273 Cb 0.10 -3.80 -0.08 0.00 -0.40 0.00 0.00 41.96 37.79 1th2 s TYR 273 CO 0.00 -2.87 0.86 -1.25 -1.57 0.00 0.00 175.55 170.72 1th2 s PRO 274 N 1.14 3.91 0.10 -1.71 0.05 -1.24 -4.92 135.00 132.33 1th2 s PRO 274 Ca 0.67 0.72 -0.19 0.00 0.05 0.00 0.00 61.00 62.26 1th2 s PRO 274 Cb -0.40 -2.29 0.04 0.00 0.05 0.00 0.00 34.50 31.91 1th2 s PRO 274 CO 0.31 -0.09 0.46 -1.54 0.05 0.00 0.00 177.00 176.18 1th2 s SER 275 N -2.93 -0.34 0.06 6.66 1.04 -1.26 -1.83 113.70 115.10 1th2 s SER 275 Ca 0.55 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.90 1th2 s SER 275 Cb -0.10 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 1th2 s SER 275 CO 0.28 -0.81 -0.08 0.26 0.98 0.00 0.00 173.24 173.86 1th2 s TRP 276 N -3.29 0.78 -0.21 5.02 0.51 0.34 -1.40 118.94 120.69 1th2 s TRP 276 Ca -0.00 -0.58 -0.08 0.00 -2.12 0.00 0.00 56.10 53.32 1th2 s TRP 276 Cb 0.00 -0.46 -0.04 0.00 -0.81 0.00 0.00 33.47 32.17 1th2 s TRP 276 CO -0.08 -0.08 0.09 0.99 -0.51 0.00 0.00 176.95 177.36 1th2 s THR 277 N -1.82 4.87 -0.21 2.01 2.01 -0.49 0.71 115.64 122.72 1th2 s THR 277 Ca -0.05 0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.80 1th2 s THR 277 Cb -0.07 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1th2 s THR 277 CO -0.00 0.40 0.40 -0.22 -0.69 0.00 0.00 174.62 174.51 1th2 s LEU 278 N 0.81 4.14 0.54 4.42 2.96 -0.53 -1.35 118.68 129.68 1th2 s LEU 278 Ca 0.05 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 1th2 s LEU 278 Cb -0.13 -2.51 0.02 0.00 0.50 0.00 0.00 46.19 44.08 1th2 s LEU 278 CO 0.02 -0.10 0.24 -0.31 -1.32 0.00 0.00 176.35 174.89 1th2 s TYR 279 N 1.43 1.63 -0.09 5.38 1.51 0.53 -0.55 117.35 127.19 1th2 s TYR 279 Ca 0.19 -0.92 -0.30 0.00 -1.01 0.00 0.00 57.07 55.03 1th2 s TYR 279 Cb -0.15 -1.77 0.07 0.00 -0.11 0.00 0.00 41.96 40.00 1th2 s TYR 279 CO 0.08 -0.22 0.71 0.96 -1.11 0.00 0.00 175.55 175.97 1th2 s ILE 280 N -2.84 0.00 0.16 2.71 -4.36 -0.45 -1.79 121.20 114.64 1th2 s ILE 280 Ca 0.20 0.00 0.05 0.00 -0.26 0.00 0.00 60.65 60.64 1th2 s ILE 280 Cb -0.01 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.66 1th2 s ILE 280 CO 0.13 0.00 0.13 -1.10 0.24 0.00 0.00 174.94 174.34 1th2 s GLN 281 N -0.93 2.89 -0.20 0.37 -0.21 -0.26 -0.58 119.66 120.74 1th2 s GLN 281 Ca -0.09 -0.88 -0.02 0.00 0.02 0.00 0.00 55.36 54.40 1th2 s GLN 281 Cb -0.01 -2.64 0.06 0.00 1.00 0.00 0.00 33.01 31.42 1th2 s GLN 281 CO 0.08 0.48 0.02 0.08 -2.12 0.00 0.00 175.29 173.83 1th2 s VAL 282 N -1.75 0.71 -0.19 1.09 1.01 -1.26 -2.45 120.40 117.56 1th2 s VAL 282 Ca 0.31 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 1th2 s VAL 282 Cb -0.10 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1th2 s VAL 282 CO 0.23 -0.17 -0.00 -0.32 0.00 0.00 0.00 175.10 174.84 1th2 s MET 283 N 1.78 3.66 0.39 2.72 1.75 -0.45 -4.98 119.30 124.16 1th2 s MET 283 Ca -0.02 -0.51 -0.19 0.00 -1.25 0.00 0.00 55.69 53.73 1th2 s MET 283 Cb -0.17 -3.06 -0.10 0.00 2.84 0.00 0.00 34.83 34.34 1th2 s MET 283 CO -0.08 0.08 0.87 0.95 -0.65 0.00 0.00 175.02 176.19 1th2 s THR 284 N 0.82 4.50 0.50 10.11 -4.23 -1.26 -0.42 115.64 125.67 1th2 s THR 284 Ca 0.00 1.28 0.36 0.00 -1.18 0.00 0.00 61.69 62.15 1th2 s THR 284 Cb -0.14 -3.61 0.56 0.00 1.34 0.00 0.00 72.50 70.65 1th2 s THR 284 CO 0.02 -0.26 1.72 -0.26 -0.54 0.00 0.00 174.62 175.30 1th2 h PHE 285 N 2.06 0.20 0.61 3.99 -1.00 -1.95 -0.08 116.94 120.76 1th2 h PHE 285 Ca -0.49 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.27 1th2 h PHE 285 Cb 1.18 -0.05 0.01 0.00 3.61 0.00 0.00 35.95 40.69 1th2 h PHE 285 CO 0.62 -0.03 -0.29 0.77 -1.61 0.00 0.00 178.31 177.77 1th2 h SER 286 N 0.08 -0.69 -0.78 2.17 0.02 -1.98 -3.10 113.55 109.28 1th2 h SER 286 Ca 0.70 -0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.70 1th2 h SER 286 Cb 2.53 0.18 -0.05 0.00 0.14 0.00 0.00 62.40 65.19 1th2 h SER 286 CO -0.13 -0.33 0.51 -0.33 -1.14 0.00 0.00 176.83 175.41 1th2 h GLU 287 N -1.11 0.77 -0.72 3.45 5.08 -1.44 0.23 114.58 120.84 1th2 h GLU 287 Ca -0.08 -0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.36 1th2 h GLU 287 Cb 0.67 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 1th2 h GLU 287 CO 0.14 0.51 0.48 0.00 -1.00 0.00 0.00 179.01 179.14 1th2 h ALA 288 N 1.59 2.03 -0.14 3.43 0.00 -1.19 0.15 119.26 125.13 1th2 h ALA 288 Ca 0.34 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1th2 h ALA 288 Cb 0.30 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1th2 h ALA 288 CO -0.12 -0.21 -0.08 1.49 0.00 0.00 0.00 179.25 180.33 1th2 h GLU 289 N 0.46 0.30 -0.07 0.00 4.81 -0.87 -3.20 114.58 116.02 1th2 h GLU 289 Ca 0.35 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1th2 h GLU 289 Cb 0.71 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1th2 h GLU 289 CO -0.11 0.64 0.00 0.44 -0.73 0.00 0.00 179.01 179.25 1th2 n ILE 290 N -4.65 0.08 -1.76 2.32 -5.35 -0.63 -4.90 119.36 104.48 1th2 n ILE 290 Ca -0.06 -0.22 -0.42 0.00 -0.27 0.00 0.00 62.75 61.79 1th2 n ILE 290 Cb 0.30 0.20 -0.02 0.00 -1.74 0.00 0.00 39.64 38.38 1th2 n ILE 290 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1th2 s PHE 291 N -1.92 2.79 0.58 4.28 5.36 0.43 -4.86 117.98 124.63 1th2 s PHE 291 Ca 0.36 0.64 0.35 0.00 -0.96 0.00 0.00 56.93 57.31 1th2 s PHE 291 Cb 0.19 -4.10 1.88 0.00 -0.34 0.00 0.00 43.02 40.65 1th2 s PHE 291 CO 0.29 -3.85 2.05 -1.35 -1.46 0.00 0.00 175.22 170.91 1th2 h PRO 292 N 5.45 0.00 0.00 10.12 0.11 -1.90 -3.43 132.00 142.35 1th2 h PRO 292 Ca -0.46 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.05 1th2 h PRO 292 Cb 1.21 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 1th2 h PRO 292 CO 0.84 0.00 -0.49 1.19 -0.21 0.00 0.00 178.00 179.34 1th2 n PHE 293 N -2.88 0.34 -2.45 0.65 3.72 -1.26 -5.09 117.46 110.49 1th2 n PHE 293 Ca -0.02 -2.70 -0.43 0.00 -0.05 0.00 0.00 57.45 54.25 1th2 n PHE 293 Cb 0.23 -0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 1th2 n PHE 293 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1th2 s ASN 294 N -3.66 7.01 0.00 4.37 3.84 -1.26 -4.90 114.94 120.34 1th2 s ASN 294 Ca 0.17 1.75 0.16 0.00 0.21 0.00 0.00 52.86 55.15 1th2 s ASN 294 Cb 0.01 -2.55 0.87 0.00 -0.55 0.00 0.00 41.25 39.03 1th2 s ASN 294 CO 0.12 -0.66 1.42 -2.65 -2.79 0.00 0.00 177.10 172.54 1th2 n PRO 295 N 5.83 0.35 -0.10 0.43 -0.02 -1.26 -2.41 135.00 137.82 1th2 n PRO 295 Ca 0.12 0.08 0.08 0.00 -2.02 0.00 0.00 63.50 61.76 1th2 n PRO 295 Cb 0.46 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.55 1th2 n PRO 295 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1th2 n PHE 296 N -1.16 0.00 -3.03 6.00 3.72 -1.26 -4.72 117.46 117.01 1th2 n PHE 296 Ca 0.09 -0.87 -0.43 0.00 -0.05 0.00 0.00 57.45 56.19 1th2 n PHE 296 Cb 0.09 -0.13 -0.06 0.00 -0.94 0.00 0.00 39.48 38.45 1th2 n PHE 296 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1th2 s ASP 297 N -2.55 6.29 0.65 4.37 2.15 -1.01 -4.30 116.67 122.26 1th2 s ASP 297 Ca 0.27 -0.60 0.25 0.00 0.43 0.00 0.00 52.55 52.89 1th2 s ASP 297 Cb 0.23 -2.35 1.34 0.00 -0.30 0.00 0.00 42.92 41.84 1th2 s ASP 297 CO 0.02 -0.99 1.75 0.25 -0.17 0.00 0.00 175.17 176.03 1th2 h LEU 298 N 10.16 0.00 -2.77 -1.34 5.85 -1.88 -0.94 115.31 124.39 1th2 h LEU 298 Ca -0.27 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.34 1th2 h LEU 298 Cb 1.09 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 1th2 h LEU 298 CO 1.00 0.00 0.14 0.35 -0.34 0.00 0.00 178.44 179.59 1th2 n THR 299 N -2.78 1.90 -4.46 1.05 -2.24 -1.26 -2.45 114.28 104.04 1th2 n THR 299 Ca -0.02 -0.95 -0.23 0.00 -2.27 0.00 0.00 64.05 60.58 1th2 n THR 299 Cb 0.47 -0.48 -0.09 0.00 -2.10 0.00 0.00 70.33 68.13 1th2 n THR 299 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1th2 s LYS 300 N -2.03 1.81 0.01 -0.78 -0.14 -0.36 -4.92 119.74 113.34 1th2 s LYS 300 Ca 0.33 -2.08 -0.13 0.00 -1.36 0.00 0.00 55.97 52.73 1th2 s LYS 300 Cb 0.26 -0.50 0.02 0.00 -1.68 0.00 0.00 37.83 35.93 1th2 s LYS 300 CO 0.08 -0.44 0.28 0.14 -0.76 0.00 0.00 175.35 174.66 1th2 s VAL 301 N -3.32 0.07 -0.60 3.17 -7.23 -1.26 -4.76 120.40 106.47 1th2 s VAL 301 Ca 0.29 -0.59 -0.22 0.00 -1.81 0.00 0.00 61.98 59.65 1th2 s VAL 301 Cb 0.04 -0.71 0.06 0.00 0.56 0.00 0.00 36.38 36.33 1th2 s VAL 301 CO 0.16 -0.32 0.88 0.26 -0.31 0.00 0.00 175.10 175.76 1th2 s TRP 302 N -1.78 2.79 -0.14 2.82 0.51 -1.26 -5.00 118.94 116.89 1th2 s TRP 302 Ca -0.11 -0.46 -0.38 0.00 -2.12 0.00 0.00 56.10 53.03 1th2 s TRP 302 Cb -0.04 -4.10 -0.15 0.00 -0.81 0.00 0.00 33.47 28.37 1th2 s TRP 302 CO 0.01 -1.45 1.63 -2.30 -0.51 0.00 0.00 176.95 174.34 1th2 n PRO 303 N 7.27 1.30 -0.51 4.98 -0.02 -1.26 -4.71 135.00 142.05 1th2 n PRO 303 Ca -0.03 0.47 0.42 0.00 -2.02 0.00 0.00 63.50 62.33 1th2 n PRO 303 Cb 0.46 -2.17 0.71 0.00 -0.02 0.00 0.00 33.50 32.48 1th2 n PRO 303 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1th2 h HIS 304 N 6.59 0.35 0.10 6.00 3.86 -1.95 -0.04 115.15 130.06 1th2 h HIS 304 Ca -0.47 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 58.78 1th2 h HIS 304 Cb 1.32 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 29.65 1th2 h HIS 304 CO 0.73 -0.15 -0.45 0.78 0.86 0.00 0.00 177.93 179.70 1th2 h GLY 305 N 0.05 -0.91 0.97 2.45 0.00 -2.00 -2.57 103.07 101.06 1th2 h GLY 305 Ca 0.84 0.54 0.00 0.00 0.00 0.00 0.00 47.33 48.71 1th2 h GLY 305 CO -0.29 -0.27 -0.77 1.22 0.00 0.00 0.00 176.54 176.43 1th2 n ASP 306 N -5.47 0.67 -3.41 0.19 8.00 -0.16 -4.55 116.55 111.83 1th2 n ASP 306 Ca -0.07 0.02 -0.26 0.00 0.71 0.00 0.00 54.79 55.19 1th2 n ASP 306 Cb 0.39 0.38 -0.09 0.00 -0.02 0.00 0.00 41.12 41.78 1th2 n ASP 306 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1th2 n TYR 307 N -2.08 0.64 -1.67 1.24 4.01 -0.44 -5.05 117.16 113.80 1th2 n TYR 307 Ca 0.03 -3.69 -0.42 0.00 -0.16 0.00 0.00 57.90 53.66 1th2 n TYR 307 Cb 0.44 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1th2 n TYR 307 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1th2 n PRO 308 N 1.91 1.80 -2.29 -0.72 -0.02 -0.98 -4.39 135.00 130.31 1th2 n PRO 308 Ca 0.25 0.64 -0.37 0.00 -2.02 0.00 0.00 63.50 62.00 1th2 n PRO 308 Cb 0.46 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1th2 n PRO 308 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1th2 s LEU 309 N -1.05 4.07 -0.11 2.45 2.01 -1.26 -4.51 118.68 120.27 1th2 s LEU 309 Ca 0.60 2.29 0.00 0.00 0.01 0.00 0.00 54.13 57.03 1th2 s LEU 309 Cb -0.55 -4.18 0.02 0.00 0.01 0.00 0.00 46.19 41.49 1th2 s LEU 309 CO 0.59 -0.82 -0.10 -0.63 1.01 0.00 0.00 176.35 176.41 1th2 s ILE 310 N -1.52 1.13 0.56 -0.59 1.01 0.25 -4.87 121.20 117.18 1th2 s ILE 310 Ca 0.61 -0.38 -0.21 0.00 0.00 0.00 0.00 60.65 60.67 1th2 s ILE 310 Cb -0.29 -1.10 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 1th2 s ILE 310 CO 0.35 0.38 1.23 -0.81 0.00 0.00 0.00 174.94 176.09 1th2 n PRO 311 N 4.63 1.39 0.07 2.79 -0.04 -1.26 -1.35 135.00 141.23 1th2 n PRO 311 Ca -0.16 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1th2 n PRO 311 Cb 0.50 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1th2 n PRO 311 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1th2 n VAL 312 N -1.29 0.65 -2.10 0.52 0.31 0.29 -4.68 118.33 112.04 1th2 n VAL 312 Ca 0.12 0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 1th2 n VAL 312 Cb 0.45 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 1th2 n VAL 312 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1th2 n GLY 313 N 2.71 1.85 3.13 2.92 0.00 -1.20 -0.09 105.19 114.50 1th2 n GLY 313 Ca 0.00 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 1th2 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1th2 s LYS 314 N 1.47 0.92 -0.19 1.61 1.02 0.18 -1.45 119.74 123.30 1th2 s LYS 314 Ca 0.00 -0.72 -0.05 0.00 0.02 0.00 0.00 55.97 55.23 1th2 s LYS 314 Cb 0.00 -0.91 -0.03 0.00 -0.52 0.00 0.00 37.83 36.37 1th2 s LYS 314 CO 0.00 0.23 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.14 1th2 s LEU 315 N -1.05 3.27 -0.07 3.17 1.43 0.22 -1.10 118.68 124.56 1th2 s LEU 315 Ca 0.01 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1th2 s LEU 315 Cb -0.07 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.34 1th2 s LEU 315 CO 0.01 0.09 -0.11 -0.69 0.23 0.00 0.00 176.35 175.88 1th2 s VAL 316 N 0.84 1.04 -0.38 -1.59 1.01 0.02 -0.51 120.40 120.84 1th2 s VAL 316 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1th2 s VAL 316 Cb -0.14 -0.98 0.06 0.00 0.00 0.00 0.00 36.38 35.32 1th2 s VAL 316 CO 0.02 0.34 0.18 -0.76 0.00 0.00 0.00 175.10 174.88 1th2 s LEU 317 N 0.83 4.76 -0.11 3.92 1.43 -0.76 -0.05 118.68 128.70 1th2 s LEU 317 Ca -0.12 -1.37 0.16 0.00 -1.03 0.00 0.00 54.13 51.78 1th2 s LEU 317 Cb -0.15 -1.92 0.37 0.00 0.03 0.00 0.00 46.19 44.52 1th2 s LEU 317 CO 0.02 -0.43 1.17 -0.46 0.23 0.00 0.00 176.35 176.88 1th2 n ASN 318 N 4.84 1.39 -3.40 2.29 0.23 -0.74 -3.64 115.26 116.23 1th2 n ASN 318 Ca -0.10 -2.98 -0.07 0.00 -0.53 0.00 0.00 54.58 50.89 1th2 n ASN 318 Cb 0.44 -0.41 -0.08 0.00 -2.08 0.00 0.00 39.78 37.65 1th2 n ASN 318 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1th2 s ARG 319 N -1.79 0.37 0.69 -3.83 3.52 0.00 -4.96 118.95 112.95 1th2 s ARG 319 Ca 0.32 0.70 -0.12 0.00 -0.13 0.00 0.00 55.73 56.50 1th2 s ARG 319 Cb 0.33 -0.18 0.01 0.00 -1.56 0.00 0.00 34.95 33.55 1th2 s ARG 319 CO -0.08 -0.55 1.07 -0.80 -0.81 0.00 0.00 175.30 174.13 1th2 s ASN 320 N 2.60 5.21 0.61 -2.12 0.02 -1.26 -0.85 114.94 119.14 1th2 s ASN 320 Ca 0.10 1.77 -0.15 0.00 -1.02 0.00 0.00 52.86 53.57 1th2 s ASN 320 Cb -0.15 -2.52 -0.03 0.00 0.02 0.00 0.00 41.25 38.58 1th2 s ASN 320 CO -0.16 -1.56 1.05 -2.16 0.02 0.00 0.00 177.10 174.30 1th2 s PRO 321 N -4.65 3.27 -0.20 -0.60 0.04 -1.26 -4.84 135.00 126.76 1th2 s PRO 321 Ca 0.61 1.13 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 1th2 s PRO 321 Cb -0.16 -2.03 -0.20 0.00 0.04 0.00 0.00 34.50 32.15 1th2 s PRO 321 CO 0.49 -0.85 0.04 0.28 0.04 0.00 0.00 177.00 177.00 1th2 n VAL 322 N -2.27 1.61 -3.92 -0.36 0.31 -1.26 -4.78 118.33 107.66 1th2 n VAL 322 Ca 0.08 -0.52 -0.30 0.00 -0.01 0.00 0.00 64.34 63.59 1th2 n VAL 322 Cb 0.53 -1.67 -0.15 0.00 -0.91 0.00 0.00 33.84 31.64 1th2 n VAL 322 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1th2 s ASN 323 N -6.88 4.02 0.12 4.52 3.84 -1.26 -5.04 114.94 114.25 1th2 s ASN 323 Ca -0.30 -1.40 -0.31 0.00 0.21 0.00 0.00 52.86 51.06 1th2 s ASN 323 Cb 0.08 -1.20 -0.09 0.00 -0.55 0.00 0.00 41.25 39.50 1th2 s ASN 323 CO 0.65 -0.29 1.58 0.22 -2.79 0.00 0.00 177.10 176.47 1th2 h TYR 324 N 7.92 -1.30 -0.19 0.43 3.20 -1.97 -1.13 116.97 123.94 1th2 h TYR 324 Ca -0.15 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.79 1th2 h TYR 324 Cb 1.05 0.57 -0.05 0.00 1.54 0.00 0.00 36.73 39.85 1th2 h TYR 324 CO 0.47 -0.51 -0.37 0.35 -1.64 0.00 0.00 178.16 176.46 1th2 h PHE 325 N -0.58 -1.12 -0.60 -3.82 3.57 -1.96 0.76 116.94 113.19 1th2 h PHE 325 Ca 0.05 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1th2 h PHE 325 Cb 0.67 0.51 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 1th2 h PHE 325 CO -0.47 -0.35 0.31 0.00 -2.23 0.00 0.00 178.31 175.58 1th2 h ALA 326 N -0.56 0.79 0.00 2.41 0.00 -1.95 0.47 119.26 120.42 1th2 h ALA 326 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1th2 h ALA 326 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1th2 h ALA 326 CO -0.35 -0.02 -1.36 0.39 0.00 0.00 0.00 179.25 177.91 1th2 n GLU 327 N -4.84 0.54 0.03 0.00 1.02 -0.44 -4.32 120.64 112.63 1th2 n GLU 327 Ca 0.07 -0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1th2 n GLU 327 Cb 0.16 -1.66 -0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1th2 n GLU 327 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1th2 n VAL 328 N -2.34 1.07 0.01 2.62 0.31 0.26 -4.48 118.33 115.77 1th2 n VAL 328 Ca -0.01 0.33 -0.10 0.00 -0.01 0.00 0.00 64.34 64.55 1th2 n VAL 328 Cb 0.53 -1.61 -0.04 0.00 -0.91 0.00 0.00 33.84 31.81 1th2 n VAL 328 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1th2 h GLU 329 N -0.05 -0.33 0.00 5.55 4.57 -1.06 -0.52 114.58 122.74 1th2 h GLU 329 Ca -0.01 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1th2 h GLU 329 Cb 0.21 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1th2 h GLU 329 CO -0.00 -0.22 0.00 1.96 -1.18 0.00 0.00 179.01 179.57 1th2 h GLN 330 N -0.34 0.00 -6.71 1.92 4.20 -1.10 -3.45 115.11 109.63 1th2 h GLN 330 Ca 0.10 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.23 1th2 h GLN 330 Cb 0.48 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.40 1th2 h GLN 330 CO -0.31 0.00 0.22 -0.11 -0.67 0.00 0.00 178.83 177.96 1th2 n LEU 331 N -2.39 3.05 -3.76 1.46 7.94 -0.21 -4.91 117.00 118.18 1th2 n LEU 331 Ca 0.01 1.02 -0.12 0.00 -1.11 0.00 0.00 56.01 55.80 1th2 n LEU 331 Cb 0.18 -1.39 -0.12 0.00 0.53 0.00 0.00 43.42 42.62 1th2 n LEU 331 CO 0.18 -1.37 -0.09 0.00 -1.11 0.00 0.00 177.39 174.99 1th2 s ALA 332 N -1.30 -0.62 -0.03 1.96 0.00 -1.26 -5.03 121.76 115.49 1th2 s ALA 332 Ca 0.65 0.86 0.07 0.00 0.00 0.00 0.00 51.96 53.54 1th2 s ALA 332 Cb -0.53 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 1th2 s ALA 332 CO 0.56 -0.16 -0.25 -0.06 0.00 0.00 0.00 175.76 175.85 1th2 s PHE 333 N 0.64 2.24 -0.18 0.00 0.40 -1.26 -4.93 117.98 114.89 1th2 s PHE 333 Ca -0.04 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1th2 s PHE 333 Cb -0.06 -1.45 0.03 0.00 0.51 0.00 0.00 43.02 42.06 1th2 s PHE 333 CO -0.04 -0.07 -0.13 -0.51 0.70 0.00 0.00 175.22 175.17 1th2 s ASP 334 N -0.49 3.21 0.64 1.36 1.01 -1.26 -4.81 116.67 116.34 1th2 s ASP 334 Ca 0.07 -0.77 0.37 0.00 0.71 0.00 0.00 52.55 52.93 1th2 s ASP 334 Cb -0.10 -1.27 2.05 0.00 1.01 0.00 0.00 42.92 44.61 1th2 s ASP 334 CO -0.00 -0.10 2.21 -0.65 0.21 0.00 0.00 175.17 176.84 1th2 h PRO 335 N 7.98 0.00 0.00 8.23 0.11 -1.82 0.30 132.00 146.80 1th2 h PRO 335 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1th2 h PRO 335 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1th2 h PRO 335 CO 0.51 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.07 1th2 h SER 336 N 0.00 0.00 -1.00 -2.05 0.02 -1.83 -3.39 113.55 105.30 1th2 h SER 336 Ca 0.02 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.39 1th2 h SER 336 Cb 0.24 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.69 1th2 h SER 336 CO -0.00 0.00 1.57 0.20 -1.14 0.00 0.00 176.83 177.46 1th2 s ASN 337 N -5.35 6.40 -0.07 3.07 0.02 0.11 -4.89 114.94 114.22 1th2 s ASN 337 Ca 0.01 -1.60 0.01 0.00 -1.02 0.00 0.00 52.86 50.26 1th2 s ASN 337 Cb 0.09 -2.57 0.02 0.00 0.02 0.00 0.00 41.25 38.81 1th2 s ASN 337 CO 0.50 -1.61 -0.08 -0.04 0.02 0.00 0.00 177.10 175.89 1th2 s MET 338 N 5.06 1.32 0.65 -0.60 -1.94 -1.26 -1.90 119.30 120.63 1th2 s MET 338 Ca 0.51 -0.25 -0.04 0.00 -1.71 0.00 0.00 55.69 54.19 1th2 s MET 338 Cb 0.00 -1.22 0.05 0.00 2.01 0.00 0.00 34.83 35.67 1th2 s MET 338 CO -0.04 -0.08 0.93 -1.25 -0.01 0.00 0.00 175.02 174.57 1th2 s PRO 339 N 1.00 2.33 0.09 2.03 0.04 -1.26 -4.94 135.00 134.29 1th2 s PRO 339 Ca -0.09 -0.43 -0.36 0.00 0.04 0.00 0.00 61.00 60.16 1th2 s PRO 339 Cb -0.15 -2.28 -0.18 0.00 0.04 0.00 0.00 34.50 31.94 1th2 s PRO 339 CO -0.00 -1.04 1.13 -2.30 0.04 0.00 0.00 177.00 174.82 1th2 n PRO 340 N -2.71 0.66 -0.17 0.56 -0.02 -1.26 -2.24 135.00 129.82 1th2 n PRO 340 Ca 0.08 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1th2 n PRO 340 Cb 0.60 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1th2 n PRO 340 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1th2 n GLY 341 N 2.00 0.64 2.74 -1.23 0.00 -1.26 -3.31 105.19 104.76 1th2 n GLY 341 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 1th2 n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th2 s ILE 342 N -2.29 -0.16 0.22 -0.61 1.01 -0.95 -1.57 121.20 116.86 1th2 s ILE 342 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.05 1th2 s ILE 342 Cb 0.00 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 1th2 s ILE 342 CO 0.00 0.17 0.14 -1.61 0.00 0.00 0.00 174.94 173.64 1th2 s GLU 343 N 2.18 1.29 0.83 2.79 2.02 0.24 -4.48 118.70 123.58 1th2 s GLU 343 Ca 0.04 -1.69 -0.08 0.00 0.02 0.00 0.00 54.97 53.25 1th2 s GLU 343 Cb -0.12 0.22 0.16 0.00 0.10 0.00 0.00 34.13 34.48 1th2 s GLU 343 CO -0.04 -0.41 1.15 -1.25 0.02 0.00 0.00 175.26 174.73 1th2 s PRO 344 N -4.07 1.24 0.51 0.39 0.04 -1.26 0.11 135.00 131.96 1th2 s PRO 344 Ca 0.39 -0.71 0.03 0.00 0.04 0.00 0.00 61.00 60.76 1th2 s PRO 344 Cb 0.07 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 1th2 s PRO 344 CO 0.14 -1.88 0.15 -1.54 0.04 0.00 0.00 177.00 173.91 1th2 s SER 345 N -4.79 4.31 0.00 6.66 1.04 -1.24 -4.02 113.70 115.67 1th2 s SER 345 Ca 0.69 -1.45 0.03 0.00 0.48 0.00 0.00 55.95 55.70 1th2 s SER 345 Cb -0.05 0.34 0.17 0.00 0.10 0.00 0.00 66.02 66.59 1th2 s SER 345 CO 0.48 -0.89 1.07 -2.65 0.98 0.00 0.00 173.24 172.24 1th2 n PRO 346 N -1.41 0.96 -1.31 4.02 -0.02 -1.26 -4.74 135.00 131.24 1th2 n PRO 346 Ca -0.11 0.00 -0.57 0.00 -2.02 0.00 0.00 63.50 60.80 1th2 n PRO 346 Cb 0.66 -1.05 -0.11 0.00 -0.02 0.00 0.00 33.50 32.99 1th2 n PRO 346 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1th2 n ASP 347 N -0.55 1.13 -0.34 2.55 -0.08 -1.26 -4.76 116.55 113.24 1th2 n ASP 347 Ca 0.02 0.59 0.18 0.00 -1.51 0.00 0.00 54.79 54.07 1th2 n ASP 347 Cb 0.01 -1.00 0.41 0.00 2.34 0.00 0.00 41.12 42.87 1th2 n ASP 347 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1th2 h LYS 348 N 10.05 0.55 0.03 -0.67 1.57 -1.80 0.75 116.57 127.05 1th2 h LYS 348 Ca -0.15 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1th2 h LYS 348 Cb 1.39 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1th2 h LYS 348 CO 1.08 0.36 -0.01 0.52 -0.57 0.00 0.00 179.45 180.82 1th2 h MET 349 N 0.56 -0.04 -0.97 3.15 2.86 -1.86 -2.87 114.93 115.76 1th2 h MET 349 Ca 0.62 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 58.36 1th2 h MET 349 Cb 1.25 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.84 1th2 h MET 349 CO -0.42 0.34 0.62 1.25 1.06 0.00 0.00 176.91 179.77 1th2 h LEU 350 N -0.43 0.93 0.28 1.22 5.85 -1.50 -2.78 115.31 118.88 1th2 h LEU 350 Ca -0.00 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1th2 h LEU 350 Cb 0.40 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1th2 h LEU 350 CO 0.01 0.55 -0.43 1.56 -0.34 0.00 0.00 178.44 179.78 1th2 h GLN 351 N 1.03 -0.74 -0.80 1.25 1.08 -0.81 -2.08 115.11 114.04 1th2 h GLN 351 Ca 0.45 0.05 0.11 0.00 -1.45 0.00 0.00 58.65 57.81 1th2 h GLN 351 Cb 0.35 0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 27.89 1th2 h GLN 351 CO -0.21 -0.49 0.52 0.78 -0.95 0.00 0.00 178.83 178.48 1th2 h GLY 352 N -0.77 1.03 1.80 3.46 0.00 -1.28 -1.35 103.07 105.96 1th2 h GLY 352 Ca -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1th2 h GLY 352 CO -0.16 0.15 0.03 3.21 0.00 0.00 0.00 176.54 179.78 1th2 h ARG 353 N 0.70 0.27 -0.24 4.80 3.08 -1.16 -1.08 114.38 120.74 1th2 h ARG 353 Ca 0.37 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.46 1th2 h ARG 353 Cb 0.51 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1th2 h ARG 353 CO -0.15 0.27 0.18 -0.07 -1.07 0.00 0.00 179.97 179.13 1th2 h LEU 354 N 0.27 0.00 0.00 3.04 3.38 -0.65 -3.18 115.31 118.16 1th2 h LEU 354 Ca 0.07 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 1th2 h LEU 354 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1th2 h LEU 354 CO -0.00 0.00 -1.09 0.33 0.09 0.00 0.00 178.44 177.77 1th2 n PHE 355 N -4.39 0.91 -0.26 1.13 7.35 -0.47 -4.62 117.46 117.11 1th2 n PHE 355 Ca 0.03 0.39 0.14 0.00 -0.76 0.00 0.00 57.45 57.25 1th2 n PHE 355 Cb 0.33 -0.98 0.42 0.00 0.35 0.00 0.00 39.48 39.60 1th2 n PHE 355 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1th2 h ALA 356 N -0.70 1.95 0.38 3.13 0.00 -1.37 -2.65 119.26 120.00 1th2 h ALA 356 Ca -0.25 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1th2 h ALA 356 Cb 1.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1th2 h ALA 356 CO -0.15 -0.20 -0.18 1.88 0.00 0.00 0.00 179.25 180.59 1th2 h TYR 357 N 0.59 -0.47 -0.32 0.00 -1.99 -1.82 -1.40 116.97 111.56 1th2 h TYR 357 Ca 0.45 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 61.26 1th2 h TYR 357 Cb 0.86 0.16 -0.01 0.00 2.00 0.00 0.00 36.73 39.73 1th2 h TYR 357 CO -0.00 -0.18 0.24 -1.35 -0.00 0.00 0.00 178.16 176.87 1th2 h PRO 358 N -1.04 0.00 0.88 4.88 0.11 -1.82 -1.62 132.00 133.39 1th2 h PRO 358 Ca -0.05 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 1th2 h PRO 358 Cb 0.50 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.62 1th2 h PRO 358 CO 0.09 0.00 -0.42 0.22 -0.21 0.00 0.00 178.00 177.67 1th2 h ASP 359 N 0.00 -1.00 -0.39 -2.05 3.58 -1.36 -2.38 116.42 112.82 1th2 h ASP 359 Ca 0.15 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.63 1th2 h ASP 359 Cb 0.63 0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 1th2 h ASP 359 CO -0.00 -0.67 0.25 0.71 -2.88 0.00 0.00 179.24 176.65 1th2 h THR 360 N -1.26 1.11 -1.00 2.25 1.35 -0.63 -2.14 112.91 112.57 1th2 h THR 360 Ca -0.12 -0.21 0.22 0.00 -0.55 0.00 0.00 66.41 65.75 1th2 h THR 360 Cb 0.91 0.55 -0.11 0.00 -1.73 0.00 0.00 68.15 67.77 1th2 h THR 360 CO 0.20 0.10 0.61 0.45 -0.25 0.00 0.00 175.52 176.63 1th2 h HIS 361 N 0.52 0.98 0.00 4.73 3.86 -1.34 1.32 115.15 125.22 1th2 h HIS 361 Ca 0.14 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1th2 h HIS 361 Cb -0.04 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.13 1th2 h HIS 361 CO -0.05 0.16 0.00 0.54 0.86 0.00 0.00 177.93 179.44 1th2 n ARG 362 N -4.77 0.15 -0.06 2.45 1.74 -0.81 -0.82 116.66 114.53 1th2 n ARG 362 Ca 0.24 0.57 -0.12 0.00 -0.77 0.00 0.00 57.85 57.77 1th2 n ARG 362 Cb 0.67 -1.91 -0.04 0.00 -1.02 0.00 0.00 32.46 30.16 1th2 n ARG 362 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1th2 n HIS 363 N -2.21 0.00 -0.07 -1.55 -0.00 0.41 -3.04 115.22 108.76 1th2 n HIS 363 Ca -0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 1th2 n HIS 363 Cb 0.09 -0.47 -0.03 0.00 -0.00 0.00 0.00 29.99 29.58 1th2 n HIS 363 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1th2 h ARG 364 N -0.63 0.33 0.04 1.57 2.43 -0.21 -3.33 114.38 114.58 1th2 h ARG 364 Ca -0.22 -0.04 -0.38 0.00 -0.81 0.00 0.00 59.98 58.54 1th2 h ARG 364 Cb 1.00 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.43 1th2 h ARG 364 CO -0.13 0.31 -2.20 1.28 -1.51 0.00 0.00 179.97 177.72 1th2 n LEU 365 N -4.85 2.62 0.00 3.80 4.77 -0.50 -4.45 117.00 118.38 1th2 n LEU 365 Ca -0.03 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1th2 n LEU 365 Cb 0.08 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 1th2 n LEU 365 CO 0.35 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 1th2 n GLY 366 N 1.96 3.21 0.27 -0.72 0.00 -0.00 -4.77 105.19 105.13 1th2 n GLY 366 Ca -0.41 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 43.73 1th2 n GLY 366 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1th2 h PRO 367 N 0.00 -0.01 -0.93 1.61 0.11 -1.81 -1.95 132.00 129.02 1th2 h PRO 367 Ca 0.00 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.86 1th2 h PRO 367 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 30.96 1th2 h PRO 367 CO 0.00 -0.01 0.32 0.09 -0.21 0.00 0.00 178.00 178.20 1th2 n ASN 368 N -5.46 3.65 0.27 -2.05 3.02 -1.26 -4.61 115.26 108.81 1th2 n ASN 368 Ca 0.09 -2.94 0.10 0.00 -0.03 0.00 0.00 54.58 51.79 1th2 n ASN 368 Cb 0.36 -0.70 0.53 0.00 -0.61 0.00 0.00 39.78 39.36 1th2 n ASN 368 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1th2 h TYR 369 N 1.15 0.00 0.00 3.10 -0.00 -1.65 0.44 116.97 120.01 1th2 h TYR 369 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.04 1th2 h TYR 369 Cb 2.04 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.77 1th2 h TYR 369 CO 0.96 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.40 1th2 n LEU 370 N -2.50 0.00 -0.55 0.10 4.77 -1.26 -2.71 117.00 114.84 1th2 n LEU 370 Ca -0.01 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.56 1th2 n LEU 370 Cb 0.45 -0.47 0.34 0.00 -2.33 0.00 0.00 43.42 41.41 1th2 n LEU 370 CO 0.09 -0.05 0.71 0.00 -1.33 0.00 0.00 177.39 176.80 1th2 n GLN 371 N -1.47 1.62 -2.39 3.23 6.02 0.15 -2.80 117.38 121.75 1th2 n GLN 371 Ca 0.07 -1.11 -0.41 0.00 -0.01 0.00 0.00 57.00 55.54 1th2 n GLN 371 Cb 0.29 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 30.03 1th2 n GLN 371 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1th2 s ILE 372 N -2.15 3.52 0.08 5.09 1.01 -1.10 -4.79 121.20 122.86 1th2 s ILE 372 Ca 0.31 1.35 -0.15 0.00 0.00 0.00 0.00 60.65 62.15 1th2 s ILE 372 Cb 0.20 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 1th2 s ILE 372 CO 0.39 0.25 1.16 -2.65 0.00 0.00 0.00 174.94 174.09 1th2 n PRO 373 N 2.09 -0.21 0.15 2.79 -0.02 -1.26 -0.64 135.00 137.89 1th2 n PRO 373 Ca 0.03 1.14 0.19 0.00 -2.02 0.00 0.00 63.50 62.84 1th2 n PRO 373 Cb 0.45 -1.69 0.78 0.00 -0.02 0.00 0.00 33.50 33.02 1th2 n PRO 373 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1th2 h VAL 374 N 0.00 0.39 0.00 -1.45 3.04 -1.92 -1.78 116.25 114.54 1th2 h VAL 374 Ca 0.08 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.67 1th2 h VAL 374 Cb 0.20 0.73 -0.02 0.00 -2.01 0.00 0.00 31.29 30.19 1th2 h VAL 374 CO -0.46 0.00 -1.51 0.59 -1.01 0.00 0.00 177.57 175.18 1th2 n ASN 375 N -3.71 0.59 -4.76 3.17 3.02 0.18 -4.90 115.26 108.86 1th2 n ASN 375 Ca 0.05 0.25 -0.41 0.00 -0.03 0.00 0.00 54.58 54.43 1th2 n ASN 375 Cb 0.49 0.72 -0.02 0.00 -0.61 0.00 0.00 39.78 40.35 1th2 n ASN 375 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1th2 n PRO 377 N 1.67 3.43 0.08 0.00 -0.04 -1.26 -4.75 135.00 134.13 1th2 n PRO 377 Ca 0.04 -3.23 0.05 0.00 -0.04 0.00 0.00 63.50 60.32 1th2 n PRO 377 Cb 0.40 -3.02 0.26 0.00 -0.04 0.00 0.00 33.50 31.10 1th2 n PRO 377 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1th2 n TYR 378 N 4.43 0.32 -0.22 0.54 0.18 -1.26 -0.76 117.16 120.39 1th2 n TYR 378 Ca 0.45 0.17 0.07 0.00 1.88 0.00 0.00 57.90 60.46 1th2 n TYR 378 Cb 0.36 -0.70 0.29 0.00 -0.38 0.00 0.00 39.34 38.91 1th2 n TYR 378 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1th2 n ARG 379 N -1.81 3.34 -4.05 -3.48 1.74 -1.26 -4.89 116.66 106.24 1th2 n ARG 379 Ca -0.01 -2.31 -0.10 0.00 -0.77 0.00 0.00 57.85 54.66 1th2 n ARG 379 Cb 0.09 -1.83 -0.08 0.00 -1.02 0.00 0.00 32.46 29.62 1th2 n ARG 379 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1th2 s ALA 380 N -1.89 0.41 -0.36 7.54 0.00 0.06 -3.98 121.76 123.53 1th2 s ALA 380 Ca 0.41 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.13 1th2 s ALA 380 Cb 0.27 0.91 0.05 0.00 0.00 0.00 0.00 23.12 24.36 1th2 s ALA 380 CO 0.18 -0.59 0.15 0.50 0.00 0.00 0.00 175.76 176.01 1th2 s ARG 381 N -4.01 2.59 -0.37 0.00 3.52 -1.26 -4.90 118.95 114.51 1th2 s ARG 381 Ca 0.22 -1.28 -0.29 0.00 -0.13 0.00 0.00 55.73 54.24 1th2 s ARG 381 Cb 0.05 -3.56 0.00 0.00 -1.56 0.00 0.00 34.95 29.88 1th2 s ARG 381 CO 0.02 -0.76 1.41 0.08 -0.81 0.00 0.00 175.30 175.23 1th2 s VAL 382 N 1.40 3.94 -0.09 7.11 1.01 -1.26 -4.97 120.40 127.54 1th2 s VAL 382 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1th2 s VAL 382 Cb -0.21 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.05 1th2 s VAL 382 CO 0.02 -0.65 -0.07 0.00 0.00 0.00 0.00 175.10 174.40 1th2 s ALA 383 N 5.20 1.17 0.05 5.51 0.00 -1.26 -5.05 121.76 127.38 1th2 s ALA 383 Ca 0.61 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 52.10 1th2 s ALA 383 Cb -0.15 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.22 1th2 s ALA 383 CO 0.30 -0.27 0.26 0.27 0.00 0.00 0.00 175.76 176.33 1th2 n ASN 384 N 4.64 -0.46 -1.84 0.00 0.23 -1.26 -4.98 115.26 111.58 1th2 n ASN 384 Ca -0.15 -1.25 -0.18 0.00 -0.53 0.00 0.00 54.58 52.46 1th2 n ASN 384 Cb 0.50 0.76 0.16 0.00 -2.08 0.00 0.00 39.78 39.12 1th2 n ASN 384 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1th2 n TYR 385 N -0.18 2.35 -3.51 -2.53 4.02 -1.26 -4.95 117.16 111.09 1th2 n TYR 385 Ca -0.01 -1.96 -0.38 0.00 -0.01 0.00 0.00 57.90 55.54 1th2 n TYR 385 Cb 0.15 -0.82 -0.06 0.00 -0.02 0.00 0.00 39.34 38.59 1th2 n TYR 385 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1th2 s GLN 386 N -3.38 3.98 0.00 -0.72 -0.21 -1.26 -4.90 119.66 113.17 1th2 s GLN 386 Ca 0.53 0.34 -0.12 0.00 0.02 0.00 0.00 55.36 56.14 1th2 s GLN 386 Cb 0.45 -3.27 0.01 0.00 1.00 0.00 0.00 33.01 31.21 1th2 s GLN 386 CO 0.05 0.57 0.24 1.03 -2.12 0.00 0.00 175.29 175.06 1th2 s ARG 387 N -0.67 0.62 4.16 2.91 1.81 -1.26 -4.89 118.95 121.63 1th2 s ARG 387 Ca 0.23 -0.32 0.00 0.00 -1.72 0.00 0.00 55.73 53.91 1th2 s ARG 387 Cb -0.16 0.27 0.00 0.00 -0.45 0.00 0.00 34.95 34.61 1th2 s ARG 387 CO 0.11 -0.17 0.00 -0.25 -0.68 0.00 0.00 175.30 174.31 1th2 n ASP 388 N 1.23 0.00 0.00 0.23 8.00 -1.26 -5.08 116.55 119.67 1th2 n ASP 388 Ca -0.22 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1th2 n ASP 388 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1th2 n ASP 388 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1th2 n GLY 389 N 0.00 0.43 3.76 0.44 0.00 -1.26 -4.78 105.19 103.78 1th2 n GLY 389 Ca 0.00 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 1th2 n GLY 389 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1th2 s PRO 390 N -3.24 3.20 -1.15 1.61 0.04 -1.26 -3.72 135.00 130.47 1th2 s PRO 390 Ca 0.00 1.72 -0.18 0.00 0.04 0.00 0.00 61.00 62.58 1th2 s PRO 390 Cb 0.00 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1th2 s PRO 390 CO 0.00 -1.00 0.78 -1.33 0.04 0.00 0.00 177.00 175.49 1th2 n MET 391 N -1.40 -1.58 -3.12 4.56 2.81 -1.26 -4.22 117.12 112.90 1th2 n MET 391 Ca 0.12 0.50 -0.42 0.00 -1.81 0.00 0.00 57.70 56.09 1th2 n MET 391 Cb 0.50 -4.35 -0.07 0.00 -0.71 0.00 0.00 33.22 28.60 1th2 n MET 391 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1th2 n MET 393 N 6.05 1.99 0.00 0.00 2.81 -1.26 -4.93 117.12 121.78 1th2 n MET 393 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1th2 n MET 393 Cb 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.99 1th2 n MET 393 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1th2 n MET 394 N -0.47 0.00 -0.12 0.03 2.81 -1.26 -3.62 117.12 114.49 1th2 n MET 394 Ca 0.00 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.98 1th2 n MET 394 Cb 0.00 0.00 0.15 0.00 -0.71 0.00 0.00 33.22 32.66 1th2 n MET 394 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1th2 n ASP 395 N -3.09 2.93 -3.18 7.83 4.64 -1.26 -4.95 116.55 119.47 1th2 n ASP 395 Ca 0.00 -1.86 -0.21 0.00 -1.38 0.00 0.00 54.79 51.35 1th2 n ASP 395 Cb 0.00 -0.16 0.07 0.00 -1.04 0.00 0.00 41.12 39.99 1th2 n ASP 395 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1th2 n ASN 396 N 1.07 -5.74 -2.26 1.67 2.85 -1.24 -1.50 115.26 110.11 1th2 n ASN 396 Ca 0.14 -0.47 -0.17 0.00 -0.11 0.00 0.00 54.58 53.97 1th2 n ASN 396 Cb 0.49 -4.42 -0.02 0.00 1.24 0.00 0.00 39.78 37.07 1th2 n ASN 396 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1th2 n GLN 397 N -4.39 -1.84 0.00 1.20 6.02 -1.26 -4.77 117.38 112.34 1th2 n GLN 397 Ca 0.00 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.84 1th2 n GLN 397 Cb 0.55 -5.43 0.00 0.00 1.02 0.00 0.00 30.24 26.39 1th2 n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1th2 n GLY 398 N -0.81 2.73 1.50 1.08 0.00 -0.56 -2.57 105.19 106.56 1th2 n GLY 398 Ca -0.19 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.81 1th2 n GLY 398 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th2 n GLY 399 N 0.00 2.79 3.61 -0.02 0.00 -1.26 -5.00 105.19 105.31 1th2 n GLY 399 Ca 0.00 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 1th2 n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th2 n ALA 400 N 1.08 0.07 -1.68 4.61 0.00 -1.06 -4.86 120.51 118.67 1th2 n ALA 400 Ca 0.25 -0.04 -0.45 0.00 0.00 0.00 0.00 53.44 53.19 1th2 n ALA 400 Cb 0.85 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 1th2 n ALA 400 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1th2 n PRO 401 N -1.23 2.27 -0.97 0.00 -0.02 -1.26 -4.90 135.00 128.89 1th2 n PRO 401 Ca 0.14 0.82 0.01 0.00 -2.02 0.00 0.00 63.50 62.44 1th2 n PRO 401 Cb 0.48 -2.60 0.36 0.00 -0.02 0.00 0.00 33.50 31.72 1th2 n PRO 401 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1th2 n ASN 402 N 3.60 5.38 -3.99 2.55 2.04 -1.26 -4.90 115.26 118.68 1th2 n ASN 402 Ca 0.17 -3.07 -0.13 0.00 -0.44 0.00 0.00 54.58 51.11 1th2 n ASN 402 Cb 0.30 -0.72 -0.12 0.00 -2.53 0.00 0.00 39.78 36.70 1th2 n ASN 402 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1th2 s TYR 403 N -2.88 0.43 -0.07 -2.53 1.13 -1.26 -4.92 117.35 107.25 1th2 s TYR 403 Ca 0.55 -0.33 0.03 0.00 -1.41 0.00 0.00 57.07 55.91 1th2 s TYR 403 Cb 0.43 -0.27 0.01 0.00 -1.10 0.00 0.00 41.96 41.03 1th2 s TYR 403 CO 0.15 -0.07 -0.15 -0.47 -2.51 0.00 0.00 175.55 172.50 1th2 s TYR 404 N -0.87 1.66 0.92 -3.49 5.04 -1.26 -3.88 117.35 115.46 1th2 s TYR 404 Ca -0.07 -0.61 -0.15 0.00 -2.44 0.00 0.00 57.07 53.80 1th2 s TYR 404 Cb -0.06 -1.18 0.16 0.00 0.35 0.00 0.00 41.96 41.23 1th2 s TYR 404 CO -0.00 -0.29 1.25 -1.25 -1.34 0.00 0.00 175.55 173.92 1th2 s PRO 405 N 0.55 1.02 0.15 4.97 0.04 -1.26 -5.21 135.00 135.26 1th2 s PRO 405 Ca -0.14 -0.17 -0.17 0.00 0.04 0.00 0.00 61.00 60.55 1th2 s PRO 405 Cb -0.16 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1th2 s PRO 405 CO 0.04 -2.20 0.46 0.54 0.04 0.00 0.00 177.00 175.89 1th2 s ASN 406 N -4.68 -0.27 -0.46 6.66 2.20 -1.25 -5.06 114.94 112.08 1th2 s ASN 406 Ca 0.69 -0.36 0.04 0.00 -0.94 0.00 0.00 52.86 52.29 1th2 s ASN 406 Cb -0.07 0.52 0.53 0.00 -2.00 0.00 0.00 41.25 40.23 1th2 s ASN 406 CO 0.52 -0.94 1.73 -1.20 -2.94 0.00 0.00 177.10 174.28 1th2 n SER 407 N -0.28 4.85 -0.65 3.54 7.64 -1.26 -4.61 113.62 122.85 1th2 n SER 407 Ca -0.14 -3.74 0.06 0.00 1.01 0.00 0.00 58.87 56.06 1th2 n SER 407 Cb 0.63 -0.76 0.14 0.00 -1.01 0.00 0.00 64.21 63.22 1th2 n SER 407 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1th2 n PHE 408 N -1.01 0.00 -1.11 1.43 3.72 -1.26 -5.00 117.46 114.23 1th2 n PHE 408 Ca 0.52 -1.09 -0.04 0.00 -0.05 0.00 0.00 57.45 56.79 1th2 n PHE 408 Cb 1.08 -0.19 -0.02 0.00 -0.94 0.00 0.00 39.48 39.41 1th2 n PHE 408 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1th2 n SER 409 N -0.79 -4.53 -4.07 4.37 7.64 -1.26 -4.92 113.62 110.05 1th2 n SER 409 Ca 0.14 0.10 -0.29 0.00 1.01 0.00 0.00 58.87 59.83 1th2 n SER 409 Cb 0.77 -2.38 0.27 0.00 -1.01 0.00 0.00 64.21 61.86 1th2 n SER 409 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1th2 s ALA 410 N -1.79 -0.71 0.59 -0.43 0.00 -1.26 -4.90 121.76 113.26 1th2 s ALA 410 Ca 0.00 -0.42 -0.18 0.00 0.00 0.00 0.00 51.96 51.36 1th2 s ALA 410 Cb 0.00 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 1th2 s ALA 410 CO 0.00 -4.22 0.71 -2.30 0.00 0.00 0.00 175.76 169.95 1th2 n PRO 411 N -5.26 0.65 -4.39 0.00 -0.02 -1.26 -5.03 135.00 119.70 1th2 n PRO 411 Ca 0.06 0.26 -0.24 0.00 -2.02 0.00 0.00 63.50 61.56 1th2 n PRO 411 Cb 0.57 -1.90 -0.11 0.00 -0.02 0.00 0.00 33.50 32.03 1th2 n PRO 411 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1th2 s GLU 412 N -2.39 1.44 0.71 -0.52 2.02 -1.26 -5.03 118.70 113.67 1th2 s GLU 412 Ca 0.72 -1.52 -0.11 0.00 0.02 0.00 0.00 54.97 54.08 1th2 s GLU 412 Cb -0.43 -1.60 0.02 0.00 0.10 0.00 0.00 34.13 32.21 1th2 s GLU 412 CO 0.51 0.33 1.07 -3.38 0.02 0.00 0.00 175.26 173.81 1th2 s HIS 413 N -2.00 3.11 -0.33 1.61 -3.43 -1.26 -5.04 115.29 107.94 1th2 s HIS 413 Ca 0.20 1.32 -0.01 0.00 -0.80 0.00 0.00 55.06 55.77 1th2 s HIS 413 Cb -0.06 -2.93 0.07 0.00 -1.43 0.00 0.00 32.58 28.23 1th2 s HIS 413 CO 0.09 -1.31 0.05 -1.14 -2.00 0.00 0.00 174.74 170.43 1th2 s GLN 414 N -5.10 2.20 0.18 -0.38 0.74 -1.26 -4.99 119.66 111.05 1th2 s GLN 414 Ca 0.58 -1.48 0.14 0.00 0.05 0.00 0.00 55.36 54.65 1th2 s GLN 414 Cb -0.14 -3.27 0.71 0.00 1.10 0.00 0.00 33.01 31.42 1th2 s GLN 414 CO 0.55 -0.77 1.42 -2.30 -0.55 0.00 0.00 175.29 173.64 1th2 n PRO 415 N 4.56 0.09 -0.08 1.67 -0.02 -1.26 -1.69 135.00 138.27 1th2 n PRO 415 Ca -0.08 0.54 0.11 0.00 -2.02 0.00 0.00 63.50 62.05 1th2 n PRO 415 Cb 0.43 -1.76 0.36 0.00 -0.02 0.00 0.00 33.50 32.51 1th2 n PRO 415 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1th2 n SER 416 N -1.94 1.95 -0.64 2.55 3.41 -1.26 -3.58 113.62 114.11 1th2 n SER 416 Ca -0.00 -1.73 0.07 0.00 -0.26 0.00 0.00 58.87 56.95 1th2 n SER 416 Cb 0.05 -0.10 0.10 0.00 -0.26 0.00 0.00 64.21 64.00 1th2 n SER 416 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th2 n ALA 417 N 0.51 2.40 -1.90 7.33 0.00 -0.68 -4.98 120.51 123.20 1th2 n ALA 417 Ca 0.17 -0.79 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 1th2 n ALA 417 Cb 0.39 -0.50 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 1th2 n ALA 417 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1th2 s LEU 418 N -1.12 4.37 0.59 0.00 1.02 -1.24 -4.91 118.68 117.39 1th2 s LEU 418 Ca 0.20 2.65 -0.19 0.00 0.02 0.00 0.00 54.13 56.81 1th2 s LEU 418 Cb 0.13 -3.59 -0.05 0.00 0.02 0.00 0.00 46.19 42.70 1th2 s LEU 418 CO 0.18 -0.86 1.09 -0.62 0.02 0.00 0.00 176.35 176.17 1th2 n GLU 419 N 4.15 1.10 -2.02 1.70 4.71 -1.26 -4.92 120.64 124.10 1th2 n GLU 419 Ca 0.14 0.42 -0.42 0.00 -0.01 0.00 0.00 57.16 57.30 1th2 n GLU 419 Cb 0.38 -2.29 -0.03 0.00 -1.01 0.00 0.00 31.44 28.49 1th2 n GLU 419 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1th2 s HIS 420 N -1.44 3.13 -0.20 -0.32 5.65 -1.26 -4.97 115.29 115.89 1th2 s HIS 420 Ca 0.75 0.76 -0.17 0.00 0.25 0.00 0.00 55.06 56.66 1th2 s HIS 420 Cb -0.42 -3.83 -0.04 0.00 -1.18 0.00 0.00 32.58 27.11 1th2 s HIS 420 CO 0.47 -3.00 0.46 1.03 -0.65 0.00 0.00 174.74 173.04 1th2 s ARG 421 N 1.06 4.19 0.45 2.88 1.81 -1.26 -5.07 118.95 123.01 1th2 s ARG 421 Ca 0.68 0.32 0.06 0.00 -1.72 0.00 0.00 55.73 55.06 1th2 s ARG 421 Cb -0.41 -3.54 -0.03 0.00 -0.45 0.00 0.00 34.95 30.51 1th2 s ARG 421 CO 0.31 -0.08 0.17 0.99 -0.68 0.00 0.00 175.30 176.02 1th2 s THR 422 N 1.42 1.95 -0.03 0.02 2.01 -1.26 -5.15 115.64 114.60 1th2 s THR 422 Ca 0.22 -1.75 0.06 0.00 0.31 0.00 0.00 61.69 60.53 1th2 s THR 422 Cb -0.15 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 1th2 s THR 422 CO 0.09 0.00 -0.21 -2.28 -0.69 0.00 0.00 174.62 171.53 1th2 s HIS 423 N -2.69 1.96 0.02 4.92 2.46 -1.26 -5.13 115.29 115.57 1th2 s HIS 423 Ca 0.33 -0.44 0.01 0.00 0.47 0.00 0.00 55.06 55.43 1th2 s HIS 423 Cb 0.03 -1.28 -0.02 0.00 -0.13 0.00 0.00 32.58 31.19 1th2 s HIS 423 CO 0.18 -0.08 -0.05 -0.06 -2.47 0.00 0.00 174.74 172.26 1th2 s PHE 424 N -0.36 0.45 -0.02 3.88 0.40 -1.26 -5.16 117.98 115.90 1th2 s PHE 424 Ca 0.05 -0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1th2 s PHE 424 Cb -0.10 -0.28 0.00 0.00 0.51 0.00 0.00 43.02 43.16 1th2 s PHE 424 CO 0.00 -0.10 0.13 0.45 0.70 0.00 0.00 175.22 176.41 1th2 s SER 425 N -1.16 -0.03 0.00 1.36 0.15 -1.26 -5.13 113.70 107.64 1th2 s SER 425 Ca -0.09 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1th2 s SER 425 Cb -0.08 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1th2 s SER 425 CO -0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1th2 n GLY 426 N 2.06 0.05 3.86 9.45 0.00 -1.26 -5.09 105.19 114.27 1th2 n GLY 426 Ca -0.19 -1.71 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 1th2 n GLY 426 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1th2 s ASP 427 N -2.62 6.70 -0.69 1.61 1.01 -1.26 -5.00 116.67 116.41 1th2 s ASP 427 Ca 0.00 1.20 -0.20 0.00 0.71 0.00 0.00 52.55 54.26 1th2 s ASP 427 Cb 0.00 -2.34 0.10 0.00 1.01 0.00 0.00 42.92 41.69 1th2 s ASP 427 CO 0.00 -0.23 0.88 -0.69 0.21 0.00 0.00 175.17 175.34 1th2 s VAL 428 N -2.05 4.66 0.29 -1.27 1.01 -1.26 -4.97 120.40 116.81 1th2 s VAL 428 Ca 0.53 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 1th2 s VAL 428 Cb -0.10 -4.61 0.01 0.00 0.00 0.00 0.00 36.38 31.68 1th2 s VAL 428 CO 0.21 -1.31 0.62 0.00 0.00 0.00 0.00 175.10 174.61 1th2 s GLN 429 N 3.06 1.77 -1.25 2.72 -2.07 -1.26 -5.08 119.66 117.56 1th2 s GLN 429 Ca 0.19 -1.21 -0.20 0.00 -1.82 0.00 0.00 55.36 52.33 1th2 s GLN 429 Cb -0.17 0.55 0.01 0.00 -1.09 0.00 0.00 33.01 32.30 1th2 s GLN 429 CO 0.04 -0.78 1.81 1.03 -1.32 0.00 0.00 175.29 176.06 1th2 s ARG 430 N -3.67 3.41 -0.05 9.60 0.52 -1.26 -4.96 118.95 122.54 1th2 s ARG 430 Ca 0.17 -1.65 -0.30 0.00 -0.52 0.00 0.00 55.73 53.44 1th2 s ARG 430 Cb -0.03 -5.42 -0.05 0.00 0.52 0.00 0.00 34.95 29.96 1th2 s ARG 430 CO 0.09 -2.91 1.57 -0.06 0.02 0.00 0.00 175.30 174.01 1th2 s PHE 431 N 6.83 2.25 0.08 -0.53 0.08 -1.26 -4.96 117.98 120.48 1th2 s PHE 431 Ca 0.59 0.39 -0.31 0.00 0.12 0.00 0.00 56.93 57.72 1th2 s PHE 431 Cb 0.02 -3.84 -0.07 0.00 -0.57 0.00 0.00 43.02 38.56 1th2 s PHE 431 CO 0.09 -3.40 1.36 1.21 -0.10 0.00 0.00 175.22 174.38 1th2 s ASN 432 N 2.87 6.87 0.00 1.36 2.47 -1.26 -4.92 114.94 122.33 1th2 s ASN 432 Ca 0.70 2.23 0.00 0.00 0.42 0.00 0.00 52.86 56.21 1th2 s ASN 432 Cb -0.32 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 36.90 1th2 s ASN 432 CO 0.28 -0.64 0.91 -1.54 -3.72 0.00 0.00 177.10 172.39 1th2 n SER 433 N 4.24 1.65 0.00 -4.21 3.41 -1.26 -4.75 113.62 112.70 1th2 n SER 433 Ca 0.11 -1.82 0.02 0.00 -0.26 0.00 0.00 58.87 56.92 1th2 n SER 433 Cb 0.43 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.46 1th2 n SER 433 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th2 n ALA 434 N -0.41 1.17 -1.95 7.33 0.00 -1.26 -2.90 120.51 122.49 1th2 n ALA 434 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 1th2 n ALA 434 Cb 0.29 -1.06 0.10 0.00 0.00 0.00 0.00 19.45 18.78 1th2 n ALA 434 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1th2 n ASN 435 N -1.50 3.11 -2.73 0.00 3.02 -1.26 -4.82 115.26 111.08 1th2 n ASN 435 Ca 0.01 -3.55 -0.30 0.00 -0.03 0.00 0.00 54.58 50.71 1th2 n ASN 435 Cb 0.04 -0.42 -0.05 0.00 -0.61 0.00 0.00 39.78 38.74 1th2 n ASN 435 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1th2 n ASP 436 N -0.78 6.84 -2.69 6.41 9.92 -1.14 -4.86 116.55 130.25 1th2 n ASP 436 Ca 0.28 -3.15 -0.03 0.00 -0.53 0.00 0.00 54.79 51.36 1th2 n ASP 436 Cb 0.86 -1.28 -0.03 0.00 -0.64 0.00 0.00 41.12 40.03 1th2 n ASP 436 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1th2 n ASP 437 N 1.19 -4.05 -1.65 -2.24 2.03 -1.26 -4.90 116.55 105.67 1th2 n ASP 437 Ca 0.52 1.35 -0.12 0.00 0.52 0.00 0.00 54.79 57.07 1th2 n ASP 437 Cb 0.49 -5.09 0.20 0.00 -0.72 0.00 0.00 41.12 36.00 1th2 n ASP 437 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1th2 n ASN 438 N 1.30 3.24 0.00 1.67 3.02 -1.26 -4.62 115.26 118.61 1th2 n ASN 438 Ca -0.22 -3.63 0.00 0.00 -0.03 0.00 0.00 54.58 50.69 1th2 n ASN 438 Cb 0.36 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1th2 n ASN 438 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1th2 n VAL 439 N -1.03 0.00 0.00 2.41 0.24 -1.26 -4.64 118.33 114.05 1th2 n VAL 439 Ca 0.44 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.74 1th2 n VAL 439 Cb 1.32 -0.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 1th2 n VAL 439 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1th2 n THR 440 N -0.88 0.00 0.09 3.34 -1.04 -1.26 0.10 114.28 114.62 1th2 n THR 440 Ca 0.00 1.43 0.16 0.00 -2.04 0.00 0.00 64.05 63.60 1th2 n THR 440 Cb 0.02 -2.11 0.67 0.00 -1.82 0.00 0.00 70.33 67.09 1th2 n THR 440 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1th2 h GLN 441 N 0.00 0.00 -0.52 -2.82 4.20 -1.93 -0.01 115.11 114.04 1th2 h GLN 441 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1th2 h GLN 441 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1th2 h GLN 441 CO 0.00 0.00 -0.15 0.28 -0.67 0.00 0.00 178.83 178.29 1th2 h VAL 442 N 0.00 1.27 -0.51 -0.54 2.07 -1.66 -2.62 116.25 114.26 1th2 h VAL 442 Ca 0.17 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 1th2 h VAL 442 Cb 0.68 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1th2 h VAL 442 CO -0.00 0.46 0.20 -0.09 0.02 0.00 0.00 177.57 178.16 1th2 h ARG 443 N 0.88 0.77 0.00 1.57 2.43 0.16 -1.80 114.38 118.40 1th2 h ARG 443 Ca 0.13 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1th2 h ARG 443 Cb 0.72 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1th2 h ARG 443 CO 0.06 0.69 -0.04 1.15 -1.51 0.00 0.00 179.97 180.31 1th2 h THR 444 N 0.69 0.84 0.00 0.20 2.02 -1.23 -0.44 112.91 115.00 1th2 h THR 444 Ca 0.17 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1th2 h THR 444 Cb 0.21 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1th2 h THR 444 CO -0.01 0.04 -0.00 0.15 0.37 0.00 0.00 175.52 176.06 1th2 h PHE 445 N 0.00 -0.01 0.00 3.16 3.57 -1.04 0.40 116.94 123.02 1th2 h PHE 445 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1th2 h PHE 445 Cb 0.08 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1th2 h PHE 445 CO 0.00 0.69 -0.11 -0.92 -2.23 0.00 0.00 178.31 175.74 1th2 h TYR 446 N -0.71 0.00 0.00 0.41 5.03 -0.90 -2.71 116.97 118.10 1th2 h TYR 446 Ca -0.00 0.00 -0.28 0.00 2.58 0.00 0.00 58.73 61.03 1th2 h TYR 446 Cb 0.70 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.93 1th2 h TYR 446 CO 0.17 0.11 -1.90 1.28 -1.32 0.00 0.00 178.16 176.49 1th2 n LEU 447 N -3.68 1.29 0.01 2.82 4.77 -0.22 -4.57 117.00 117.43 1th2 n LEU 447 Ca -0.02 0.22 -0.17 0.00 -0.03 0.00 0.00 56.01 56.01 1th2 n LEU 447 Cb 0.22 -0.53 -0.14 0.00 -2.33 0.00 0.00 43.42 40.64 1th2 n LEU 447 CO 0.30 0.31 -0.66 0.11 -1.33 0.00 0.00 177.39 176.12 1th2 h LYS 448 N -0.65 0.20 0.00 3.23 1.79 -1.08 -3.39 116.57 116.67 1th2 h LYS 448 Ca -0.42 -0.34 -0.19 0.00 -2.18 0.00 0.00 60.65 57.52 1th2 h LYS 448 Cb 1.34 0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 32.09 1th2 h LYS 448 CO -0.26 1.01 -0.90 0.28 -1.08 0.00 0.00 179.45 178.50 1th2 h VAL 449 N 0.05 1.60 -0.65 0.50 2.07 -1.44 -3.47 116.25 114.92 1th2 h VAL 449 Ca -0.36 -3.15 -0.54 0.00 0.82 0.00 0.00 66.70 63.48 1th2 h VAL 449 Cb 2.03 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 34.51 1th2 h VAL 449 CO 0.10 0.89 -0.18 -0.76 0.02 0.00 0.00 177.57 177.63 1th2 s LEU 450 N -6.79 2.89 0.20 2.57 1.43 -1.02 -5.07 118.68 112.88 1th2 s LEU 450 Ca 0.01 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 1th2 s LEU 450 Cb 0.10 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 1th2 s LEU 450 CO 0.80 -1.26 0.08 0.54 0.23 0.00 0.00 176.35 176.75 1th2 s ASN 451 N -4.50 0.65 0.18 2.29 2.20 -1.26 -4.81 114.94 109.69 1th2 s ASN 451 Ca 0.49 -1.31 -0.19 0.00 -0.94 0.00 0.00 52.86 50.91 1th2 s ASN 451 Cb -0.04 0.26 0.12 0.00 -2.00 0.00 0.00 41.25 39.58 1th2 s ASN 451 CO 0.31 -0.74 1.62 -0.33 -2.94 0.00 0.00 177.10 175.02 1th2 h GLU 452 N 2.62 -0.13 -0.87 3.55 4.39 -1.96 0.94 114.58 123.12 1th2 h GLU 452 Ca -0.37 0.01 0.20 0.00 0.34 0.00 0.00 59.36 59.54 1th2 h GLU 452 Cb 1.23 0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 29.75 1th2 h GLU 452 CO 0.58 -0.09 -0.11 1.49 -1.16 0.00 0.00 179.01 179.72 1th2 h GLU 453 N -0.14 0.03 0.34 2.33 4.81 -2.00 -1.51 114.58 118.44 1th2 h GLU 453 Ca 0.21 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1th2 h GLU 453 Cb 0.47 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1th2 h GLU 453 CO -0.54 0.02 -0.16 1.96 -0.73 0.00 0.00 179.01 179.55 1th2 h GLN 454 N 0.03 -0.44 -1.51 1.92 4.20 -1.43 -3.11 115.11 114.76 1th2 h GLN 454 Ca 0.46 0.03 0.44 0.00 0.06 0.00 0.00 58.65 59.64 1th2 h GLN 454 Cb 0.79 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.61 1th2 h GLN 454 CO -0.85 -0.13 1.11 0.00 -0.67 0.00 0.00 178.83 178.29 1th2 h ARG 455 N -0.97 0.00 -0.16 1.46 3.08 -0.44 1.07 114.38 118.43 1th2 h ARG 455 Ca -0.05 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.82 1th2 h ARG 455 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1th2 h ARG 455 CO 0.08 0.00 -0.64 -0.22 -1.07 0.00 0.00 179.97 178.12 1th2 h LYS 456 N 0.00 0.57 0.01 0.04 3.64 -1.22 -2.62 116.57 116.99 1th2 h LYS 456 Ca 0.72 -0.41 -0.14 0.00 -1.27 0.00 0.00 60.65 59.55 1th2 h LYS 456 Cb 2.92 0.07 0.01 0.00 -0.41 0.00 0.00 32.23 34.82 1th2 h LYS 456 CO -0.01 1.03 -0.57 0.00 -2.27 0.00 0.00 179.45 177.63 1th2 h ARG 457 N 0.42 0.36 0.23 1.90 3.08 0.12 -2.89 114.38 117.60 1th2 h ARG 457 Ca -0.01 -0.41 0.01 0.00 0.07 0.00 0.00 59.98 59.64 1th2 h ARG 457 Cb 1.21 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.35 1th2 h ARG 457 CO 0.12 1.09 -0.40 1.25 -1.07 0.00 0.00 179.97 180.96 1th2 h LEU 458 N -0.19 -1.16 -2.17 3.04 5.85 -1.13 0.64 115.31 120.19 1th2 h LEU 458 Ca -0.07 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1th2 h LEU 458 Cb 1.30 0.42 0.00 0.00 0.37 0.00 0.00 40.66 42.74 1th2 h LEU 458 CO 0.11 -0.51 0.00 0.00 -0.34 0.00 0.00 178.44 177.70 1th2 h GLU 460 N 0.00 0.36 -0.03 0.00 5.08 -1.01 -2.34 114.58 116.63 1th2 h GLU 460 Ca 0.00 -0.61 -0.17 0.00 -1.00 0.00 0.00 59.36 57.58 1th2 h GLU 460 Cb 0.21 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1th2 h GLU 460 CO 0.00 1.27 -0.75 -0.91 -1.00 0.00 0.00 179.01 177.62 1th2 h ASN 461 N 0.10 0.26 -0.06 1.42 2.35 0.20 -1.38 115.58 118.46 1th2 h ASN 461 Ca -0.22 -0.18 -0.12 0.00 -0.55 0.00 0.00 56.30 55.24 1th2 h ASN 461 Cb 2.05 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 40.35 1th2 h ASN 461 CO 0.21 0.91 -0.42 0.40 -1.65 0.00 0.00 177.43 176.88 1th2 h ILE 462 N 0.14 1.41 -0.68 2.81 2.04 -0.28 -3.27 117.51 119.69 1th2 h ILE 462 Ca -0.03 -1.83 -0.04 0.00 1.00 0.00 0.00 64.86 63.96 1th2 h ILE 462 Cb 1.32 2.36 -0.03 0.00 -0.74 0.00 0.00 36.82 39.72 1th2 h ILE 462 CO 0.11 0.53 0.28 0.00 0.00 0.00 0.00 178.15 179.08 1th2 h ALA 463 N 0.41 1.21 -0.76 1.87 0.00 -1.42 0.13 119.26 120.71 1th2 h ALA 463 Ca -0.04 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1th2 h ALA 463 Cb 1.09 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 1th2 h ALA 463 CO 0.09 0.58 0.38 0.78 0.00 0.00 0.00 179.25 181.07 1th2 h GLY 464 N 1.06 1.18 0.00 0.00 0.00 -1.29 -0.65 103.07 103.36 1th2 h GLY 464 Ca 0.23 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 1th2 h GLY 464 CO -0.02 0.02 -0.49 0.84 0.00 0.00 0.00 176.54 176.89 1th2 h HIS 465 N 0.60 0.00 -0.84 5.60 6.17 -1.56 -3.37 115.15 121.75 1th2 h HIS 465 Ca 0.39 0.00 0.24 0.00 0.71 0.00 0.00 60.37 61.72 1th2 h HIS 465 Cb 0.48 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.37 1th2 h HIS 465 CO -0.11 0.67 0.63 1.25 0.71 0.00 0.00 177.93 181.08 1th2 h LEU 466 N -1.00 0.00 -2.03 0.26 5.85 -0.95 -1.10 115.31 116.33 1th2 h LEU 466 Ca -0.10 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.75 1th2 h LEU 466 Cb 0.74 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1th2 h LEU 466 CO -0.06 0.00 0.36 0.07 -0.34 0.00 0.00 178.44 178.47 1th2 h LYS 467 N 0.00 0.00 -0.00 1.25 2.10 -1.28 -0.71 116.57 117.93 1th2 h LYS 467 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 1th2 h LYS 467 Cb 1.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.98 1th2 h LYS 467 CO -0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1th2 n ASP 468 N -4.16 0.08 -4.87 7.07 8.00 -0.42 -4.83 116.55 117.43 1th2 n ASP 468 Ca 0.08 -1.09 -0.35 0.00 0.71 0.00 0.00 54.79 54.14 1th2 n ASP 468 Cb 0.56 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.60 1th2 n ASP 468 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th2 s ALA 469 N -2.00 3.75 0.43 2.24 0.00 -0.27 -4.60 121.76 121.32 1th2 s ALA 469 Ca 0.45 -0.41 -0.21 0.00 0.00 0.00 0.00 51.96 51.79 1th2 s ALA 469 Cb 0.21 -2.23 -0.15 0.00 0.00 0.00 0.00 23.12 20.95 1th2 s ALA 469 CO 0.35 0.58 0.12 1.04 0.00 0.00 0.00 175.76 177.84 1th2 n GLN 470 N 1.03 0.09 -0.17 0.00 6.02 -1.26 -4.52 117.38 118.57 1th2 n GLN 470 Ca -0.09 0.03 -0.02 0.00 -0.01 0.00 0.00 57.00 56.92 1th2 n GLN 470 Cb 0.52 -1.09 0.07 0.00 1.02 0.00 0.00 30.24 30.76 1th2 n GLN 470 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1th2 h LEU 471 N 0.31 -0.19 -1.82 1.08 3.38 -1.95 -0.98 115.31 115.13 1th2 h LEU 471 Ca -0.38 0.12 0.11 0.00 0.09 0.00 0.00 57.88 57.81 1th2 h LEU 471 Cb 1.44 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.37 1th2 h LEU 471 CO 0.46 -0.07 0.34 2.19 0.09 0.00 0.00 178.44 181.46 1th2 h PHE 472 N 0.13 0.21 -0.05 1.13 -5.15 -2.00 -0.49 116.94 110.72 1th2 h PHE 472 Ca 0.26 0.01 -0.03 0.00 -0.20 0.00 0.00 57.97 58.01 1th2 h PHE 472 Cb 0.40 -0.07 0.00 0.00 0.22 0.00 0.00 35.95 36.50 1th2 h PHE 472 CO -0.31 0.10 -0.09 0.82 -2.00 0.00 0.00 178.31 176.83 1th2 h ILE 473 N 0.20 1.42 -0.49 0.88 2.04 -1.50 -2.86 117.51 117.19 1th2 h ILE 473 Ca 0.23 -1.39 0.06 0.00 1.00 0.00 0.00 64.86 64.76 1th2 h ILE 473 Cb 0.65 2.22 -0.05 0.00 -0.74 0.00 0.00 36.82 38.90 1th2 h ILE 473 CO -0.04 0.38 0.21 1.56 0.00 0.00 0.00 178.15 180.26 1th2 h GLN 474 N -0.35 0.40 -0.47 2.37 4.20 -0.75 -1.14 115.11 119.37 1th2 h GLN 474 Ca 0.00 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.77 1th2 h GLN 474 Cb 0.66 -0.09 -0.10 0.00 0.30 0.00 0.00 27.48 28.25 1th2 h GLN 474 CO 0.02 0.27 -0.35 0.87 -0.67 0.00 0.00 178.83 178.96 1th2 h LYS 475 N 0.41 -0.23 -0.81 1.46 1.57 -1.13 0.26 116.57 118.10 1th2 h LYS 475 Ca 0.23 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.12 1th2 h LYS 475 Cb 0.20 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 1th2 h LYS 475 CO -0.20 -0.15 0.45 -0.22 -0.57 0.00 0.00 179.45 178.76 1th2 h LYS 476 N -0.24 0.73 -0.09 3.15 1.63 -1.11 -1.35 116.57 119.30 1th2 h LYS 476 Ca 0.18 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 1th2 h LYS 476 Cb 0.55 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1th2 h LYS 476 CO -0.60 0.48 -0.09 0.00 -3.45 0.00 0.00 179.45 175.79 1th2 h ALA 477 N 1.46 0.13 -0.68 5.00 0.00 0.25 -2.67 119.26 122.74 1th2 h ALA 477 Ca 0.40 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1th2 h ALA 477 Cb 0.39 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1th2 h ALA 477 CO -0.26 -0.04 0.40 0.28 0.00 0.00 0.00 179.25 179.62 1th2 h VAL 478 N -0.21 1.00 -0.38 0.00 2.07 -0.40 -1.40 116.25 116.93 1th2 h VAL 478 Ca 0.01 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.36 1th2 h VAL 478 Cb 0.61 0.20 -0.09 0.00 -1.52 0.00 0.00 31.29 30.49 1th2 h VAL 478 CO 0.02 0.13 -0.24 0.50 0.02 0.00 0.00 177.57 178.01 1th2 h LYS 479 N 0.74 -0.17 -0.35 1.57 1.63 -1.18 0.87 116.57 119.68 1th2 h LYS 479 Ca 0.30 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.12 1th2 h LYS 479 Cb 0.15 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 1th2 h LYS 479 CO -0.17 -0.11 0.23 -0.91 -3.45 0.00 0.00 179.45 175.04 1th2 h ASN 480 N -0.18 0.40 -0.31 4.20 2.35 -0.97 -1.36 115.58 119.72 1th2 h ASN 480 Ca 0.18 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.81 1th2 h ASN 480 Cb 0.46 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1th2 h ASN 480 CO -0.48 0.29 -0.25 -0.26 -1.65 0.00 0.00 177.43 175.07 1th2 h PHE 481 N 0.47 0.85 -0.79 1.19 0.04 0.00 -2.85 116.94 115.85 1th2 h PHE 481 Ca 0.13 -0.24 0.01 0.00 2.80 0.00 0.00 57.97 60.67 1th2 h PHE 481 Cb -0.04 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 37.88 1th2 h PHE 481 CO -0.00 0.98 0.52 0.77 -0.60 0.00 0.00 178.31 179.98 1th2 h SER 482 N 0.47 0.89 -0.08 2.17 0.02 -0.20 0.80 113.55 117.62 1th2 h SER 482 Ca 0.06 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1th2 h SER 482 Cb 0.81 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1th2 h SER 482 CO 0.07 0.64 0.12 0.44 -1.14 0.00 0.00 176.83 176.96 1th2 h ASP 483 N 1.05 0.00 0.16 3.07 5.19 -1.03 0.16 116.42 125.01 1th2 h ASP 483 Ca 0.29 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.36 1th2 h ASP 483 Cb -0.10 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.41 1th2 h ASP 483 CO -0.07 0.00 -1.78 0.58 -3.12 0.00 0.00 179.24 174.85 1th2 h VAL 484 N 0.00 0.84 -1.26 -1.35 2.07 -0.89 -3.48 116.25 112.19 1th2 h VAL 484 Ca 0.04 -2.43 0.15 0.00 0.82 0.00 0.00 66.70 65.27 1th2 h VAL 484 Cb 0.28 2.67 -0.27 0.00 -1.52 0.00 0.00 31.29 32.45 1th2 h VAL 484 CO -0.00 0.85 0.40 -2.28 0.02 0.00 0.00 177.57 176.55 1th2 s HIS 485 N -2.55 -0.51 0.17 1.57 5.65 0.52 -4.64 115.29 115.50 1th2 s HIS 485 Ca -0.19 0.97 -0.23 0.00 0.25 0.00 0.00 55.06 55.85 1th2 s HIS 485 Cb 0.06 0.30 0.06 0.00 -1.18 0.00 0.00 32.58 31.82 1th2 s HIS 485 CO 0.81 -0.25 1.59 -1.35 -0.65 0.00 0.00 174.74 174.89 1th2 h PRO 486 N 6.36 -0.24 -0.88 2.88 0.11 -1.76 0.78 132.00 139.25 1th2 h PRO 486 Ca -0.24 0.02 0.22 0.00 0.11 0.00 0.00 66.00 66.11 1th2 h PRO 486 Cb 1.16 0.05 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 1th2 h PRO 486 CO 0.17 -0.16 0.36 1.49 -0.21 0.00 0.00 178.00 179.64 1th2 h GLU 487 N -0.25 0.36 0.12 1.05 4.81 -1.93 -2.24 114.58 116.49 1th2 h GLU 487 Ca 0.18 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1th2 h GLU 487 Cb 0.55 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1th2 h GLU 487 CO -0.59 0.24 -0.18 -0.92 -0.73 0.00 0.00 179.01 176.83 1th2 h TYR 488 N 0.37 -0.52 -0.92 0.92 5.03 -1.14 -1.23 116.97 119.49 1th2 h TYR 488 Ca 0.55 0.01 0.20 0.00 2.58 0.00 0.00 58.73 62.06 1th2 h TYR 488 Cb 1.04 0.21 -0.07 0.00 1.55 0.00 0.00 36.73 39.46 1th2 h TYR 488 CO -0.16 -0.23 0.60 0.78 -1.32 0.00 0.00 178.16 177.83 1th2 h GLY 489 N -0.32 1.02 0.81 1.82 0.00 -1.23 -2.64 103.07 102.53 1th2 h GLY 489 Ca -0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1th2 h GLY 489 CO -0.06 -0.00 -0.38 1.76 0.00 0.00 0.00 176.54 177.85 1th2 h SER 490 N 0.48 -0.91 -0.87 0.19 0.02 -1.06 0.37 113.55 111.77 1th2 h SER 490 Ca 0.48 0.03 0.22 0.00 -0.84 0.00 0.00 61.79 61.68 1th2 h SER 490 Cb 1.09 0.24 -0.13 0.00 0.14 0.00 0.00 62.40 63.74 1th2 h SER 490 CO -0.21 -0.55 0.30 0.03 -1.14 0.00 0.00 176.83 175.27 1th2 h ARG 491 N -1.28 0.29 0.10 3.45 3.08 -0.89 1.13 114.38 120.25 1th2 h ARG 491 Ca -0.11 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1th2 h ARG 491 Cb 0.83 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1th2 h ARG 491 CO 0.18 0.19 -0.05 0.82 -1.07 0.00 0.00 179.97 180.04 1th2 h ILE 492 N 0.30 1.12 0.22 2.04 2.04 -1.45 -0.89 117.51 120.88 1th2 h ILE 492 Ca 0.54 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.48 1th2 h ILE 492 Cb 1.06 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 1th2 h ILE 492 CO -0.58 0.22 -0.40 -0.61 0.00 0.00 0.00 178.15 176.78 1th2 h GLN 493 N -0.57 -0.67 0.29 2.37 5.75 0.22 1.14 115.11 123.63 1th2 h GLN 493 Ca -0.01 0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1th2 h GLN 493 Cb 0.47 0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 1th2 h GLN 493 CO 0.02 -0.45 -0.49 0.00 -2.65 0.00 0.00 178.83 175.26 1th2 h ALA 494 N -0.24 -1.05 0.00 3.38 0.00 0.11 0.81 119.26 122.27 1th2 h ALA 494 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1th2 h ALA 494 Cb 0.69 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1th2 h ALA 494 CO -0.18 -1.13 0.26 1.25 0.00 0.00 0.00 179.25 179.46 1th2 h LEU 495 N -0.83 0.00 0.01 0.00 5.85 -0.83 0.99 115.31 120.50 1th2 h LEU 495 Ca -0.03 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 1th2 h LEU 495 Cb 0.77 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1th2 h LEU 495 CO -0.17 0.00 -0.60 0.25 -0.34 0.00 0.00 178.44 177.58 1th2 h LEU 496 N 0.00 0.03 -1.84 2.25 5.85 0.46 -3.20 115.31 118.87 1th2 h LEU 496 Ca 0.00 -0.79 0.25 0.00 0.84 0.00 0.00 57.88 58.18 1th2 h LEU 496 Cb 0.53 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1th2 h LEU 496 CO 0.00 1.24 0.64 0.44 -0.34 0.00 0.00 178.44 180.42 1th2 h ASP 497 N -0.95 0.13 -0.45 1.25 3.32 0.29 1.36 116.42 121.37 1th2 h ASP 497 Ca -0.16 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 1th2 h ASP 497 Cb 1.18 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1th2 h ASP 497 CO -0.08 0.04 -0.11 0.50 -1.72 0.00 0.00 179.24 177.88 1th2 h LYS 498 N 0.12 0.92 -0.69 3.56 3.64 -1.31 -3.00 116.57 119.81 1th2 h LYS 498 Ca 0.45 -0.32 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1th2 h LYS 498 Cb 1.59 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.31 1th2 h LYS 498 CO -0.07 0.97 0.20 1.88 -2.27 0.00 0.00 179.45 180.16 1th2 h TYR 499 N 0.82 1.13 -0.13 1.91 0.05 0.18 -3.29 116.97 117.64 1th2 h TYR 499 Ca 0.13 -0.12 -0.69 0.00 0.05 0.00 0.00 58.73 58.10 1th2 h TYR 499 Cb 0.63 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 1th2 h TYR 499 CO 0.04 0.91 2.83 0.09 -1.05 0.00 0.00 178.16 180.98 1th2 n ASN 500 N -4.29 3.79 0.00 3.88 3.02 -0.75 -5.12 115.26 115.78 1th2 n ASN 500 Ca 0.05 -2.82 0.00 0.00 -0.03 0.00 0.00 54.58 51.78 1th2 n ASN 500 Cb 0.24 -1.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.81 1th2 n ASN 500 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02