#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th4 n ARG 4 N 0.00 2.66 -0.97 3.52 3.00 -1.26 -5.14 116.66 118.47 1th4 n ARG 4 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.54 1th4 n ARG 4 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 32.46 32.62 1th4 n ARG 4 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1th4 s ASP 5 N -0.32 2.94 0.12 0.55 -4.77 -1.26 -4.80 116.67 109.13 1th4 s ASP 5 Ca 0.00 1.68 -0.22 0.00 -3.30 0.00 0.00 52.55 50.71 1th4 s ASP 5 Cb 0.00 -2.31 -0.07 0.00 -1.09 0.00 0.00 42.92 39.45 1th4 s ASP 5 CO 0.00 -3.00 1.70 -0.65 0.70 0.00 0.00 175.17 173.92 1th4 h PRO 6 N -1.80 -0.07 -0.96 2.11 0.11 -1.95 -1.63 132.00 127.81 1th4 h PRO 6 Ca -0.50 0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.75 1th4 h PRO 6 Cb 1.29 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.32 1th4 h PRO 6 CO 0.51 -0.05 0.59 0.00 -0.21 0.00 0.00 178.00 178.83 1th4 h ALA 7 N 1.00 1.48 -0.09 -0.75 0.00 -1.93 -0.85 119.26 118.12 1th4 h ALA 7 Ca 0.06 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1th4 h ALA 7 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1th4 h ALA 7 CO -0.14 0.11 -0.56 0.77 0.00 0.00 0.00 179.25 179.44 1th4 h SER 8 N 0.87 0.30 -0.48 0.00 0.02 -1.82 -3.16 113.55 109.29 1th4 h SER 8 Ca 0.50 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 61.17 1th4 h SER 8 Cb 0.59 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.97 1th4 h SER 8 CO -0.30 0.80 0.16 0.47 -1.14 0.00 0.00 176.83 176.81 1th4 n ASP 9 N -3.91 3.92 0.04 3.07 8.00 -0.36 -4.65 116.55 122.65 1th4 n ASP 9 Ca -0.02 -2.78 -0.09 0.00 0.71 0.00 0.00 54.79 52.61 1th4 n ASP 9 Cb 0.59 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 40.97 1th4 n ASP 9 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1th4 h GLN 10 N 1.94 -0.36 -0.42 -1.24 -0.00 -1.42 -0.68 115.11 112.93 1th4 h GLN 10 Ca 0.15 0.02 -0.03 0.00 -0.00 0.00 0.00 58.65 58.80 1th4 h GLN 10 Cb 1.76 0.08 -0.02 0.00 0.00 0.00 0.00 27.48 29.30 1th4 h GLN 10 CO 0.47 -0.24 0.16 0.52 0.00 0.00 0.00 178.83 179.75 1th4 h MET 11 N -0.37 0.63 -0.95 1.69 2.86 -1.89 -2.33 114.93 114.58 1th4 h MET 11 Ca 0.00 -0.12 0.29 0.00 -2.06 0.00 0.00 59.70 57.81 1th4 h MET 11 Cb 0.39 -0.10 -0.15 0.00 0.06 0.00 0.00 31.60 31.80 1th4 h MET 11 CO -0.18 0.59 0.40 -0.22 1.06 0.00 0.00 176.91 178.56 1th4 h LYS 12 N 0.53 0.23 0.04 1.72 3.64 -1.81 0.59 116.57 121.51 1th4 h LYS 12 Ca 0.14 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.26 1th4 h LYS 12 Cb 0.20 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1th4 h LYS 12 CO -0.01 0.15 -0.97 0.45 -2.27 0.00 0.00 179.45 176.80 1th4 h HIS 13 N 0.24 0.91 -0.27 1.91 3.86 -0.79 -2.80 115.15 118.20 1th4 h HIS 13 Ca 0.66 -0.52 0.07 0.00 -1.16 0.00 0.00 60.37 59.41 1th4 h HIS 13 Cb 1.45 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 29.75 1th4 h HIS 13 CO -0.14 1.36 -0.27 2.35 0.86 0.00 0.00 177.93 182.08 1th4 h TRP 14 N 0.20 -0.73 -0.47 2.45 7.01 -0.38 0.23 115.95 124.26 1th4 h TRP 14 Ca -0.13 0.04 0.01 0.00 2.11 0.00 0.00 58.89 60.92 1th4 h TRP 14 Cb 1.65 0.36 -0.03 0.00 -2.10 0.00 0.00 29.16 29.05 1th4 h TRP 14 CO 0.12 -0.34 0.30 -0.22 -2.79 0.00 0.00 178.44 175.51 1th4 h LYS 15 N -0.27 0.58 0.39 2.65 3.64 -1.39 0.42 116.57 122.60 1th4 h LYS 15 Ca 0.14 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1th4 h LYS 15 Cb 0.49 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1th4 h LYS 15 CO -0.42 0.39 -0.49 0.93 -2.27 0.00 0.00 179.45 177.58 1th4 h GLU 16 N 0.60 -0.87 -0.39 1.90 5.08 -0.90 -2.11 114.58 117.89 1th4 h GLU 16 Ca 0.18 0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.46 1th4 h GLU 16 Cb -0.03 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1th4 h GLU 16 CO -0.06 -0.58 -0.31 -0.56 -1.00 0.00 0.00 179.01 176.50 1th4 h GLN 17 N -0.90 0.89 -0.65 2.33 3.07 -0.55 -2.81 115.11 116.49 1th4 h GLN 17 Ca -0.05 -0.44 0.00 0.00 0.09 0.00 0.00 58.65 58.25 1th4 h GLN 17 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.37 1th4 h GLN 17 CO -0.12 1.09 0.00 -2.13 0.09 0.00 0.00 178.83 177.77 1th4 n ARG 18 N -4.13 0.66 -1.65 0.06 0.00 0.15 -4.80 116.66 106.94 1th4 n ARG 18 Ca -0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.60 1th4 n ARG 18 Cb 0.50 -1.32 0.16 0.00 0.00 0.00 0.00 32.46 31.79 1th4 n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1th4 n ALA 19 N 0.16 -1.03 -3.97 5.13 0.00 -0.80 -4.29 120.51 115.71 1th4 n ALA 19 Ca 0.00 -1.44 -0.30 0.00 0.00 0.00 0.00 53.44 51.70 1th4 n ALA 19 Cb 0.16 -0.02 0.01 0.00 0.00 0.00 0.00 19.45 19.60 1th4 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1th4 n ALA 20 N -3.58 -1.40 -3.65 0.00 0.00 -1.26 -4.95 120.51 105.67 1th4 n ALA 20 Ca -0.17 0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 1th4 n ALA 20 Cb 0.47 -3.81 -0.07 0.00 0.00 0.00 0.00 19.45 16.04 1th4 n ALA 20 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1th4 s GLN 21 N -6.63 0.60 0.26 0.00 -0.21 -1.26 -5.14 119.66 107.28 1th4 s GLN 21 Ca 0.57 1.23 -0.30 0.00 0.02 0.00 0.00 55.36 56.88 1th4 s GLN 21 Cb -0.29 0.36 -0.10 0.00 1.00 0.00 0.00 33.01 33.98 1th4 s GLN 21 CO 0.86 -0.18 1.47 0.21 -2.12 0.00 0.00 175.29 175.53 1th4 s LYS 22 N 2.08 4.24 0.72 2.91 2.36 -1.26 -4.94 119.74 125.86 1th4 s LYS 22 Ca -0.08 2.36 -0.16 0.00 -2.55 0.00 0.00 55.97 55.54 1th4 s LYS 22 Cb -0.08 -3.09 0.03 0.00 -1.05 0.00 0.00 37.83 33.64 1th4 s LYS 22 CO -0.18 -0.46 1.25 -1.25 1.55 0.00 0.00 175.35 176.25 1th4 s PRO 23 N -0.42 2.12 0.91 4.03 0.04 -1.26 -4.97 135.00 135.45 1th4 s PRO 23 Ca 0.60 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 63.43 1th4 s PRO 23 Cb -0.43 -1.81 0.14 0.00 0.04 0.00 0.00 34.50 32.44 1th4 s PRO 23 CO 0.44 -1.88 1.10 -0.51 0.04 0.00 0.00 177.00 176.19 1th4 s ASP 24 N -1.78 3.13 -0.25 6.66 1.01 -1.26 -4.96 116.67 119.21 1th4 s ASP 24 Ca 0.78 1.85 -0.24 0.00 0.71 0.00 0.00 52.55 55.65 1th4 s ASP 24 Cb -0.33 -2.43 -0.01 0.00 1.01 0.00 0.00 42.92 41.16 1th4 s ASP 24 CO 0.45 -2.91 0.79 -0.69 0.21 0.00 0.00 175.17 173.01 1th4 s VAL 25 N -2.75 4.86 -0.00 -1.27 1.01 -1.26 -5.00 120.40 115.99 1th4 s VAL 25 Ca 0.65 1.45 -0.30 0.00 0.00 0.00 0.00 61.98 63.78 1th4 s VAL 25 Cb -0.21 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 1th4 s VAL 25 CO 0.58 -0.07 1.72 -0.22 0.00 0.00 0.00 175.10 177.11 1th4 s LEU 26 N 2.79 4.36 0.00 3.92 2.96 -1.26 -4.97 118.68 126.48 1th4 s LEU 26 Ca 0.33 2.40 0.00 0.00 -0.22 0.00 0.00 54.13 56.64 1th4 s LEU 26 Cb -0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1th4 s LEU 26 CO 0.08 -0.94 0.00 0.35 -1.32 0.00 0.00 176.35 174.52 1th4 n THR 27 N 5.30 0.00 -3.17 3.68 -2.24 -1.26 -2.17 114.28 114.41 1th4 n THR 27 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1th4 n THR 27 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1th4 n THR 27 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1th4 n THR 28 N 0.00 0.00 -0.00 4.28 -2.24 -0.40 -4.78 114.28 111.13 1th4 n THR 28 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1th4 n THR 28 Cb 0.00 -0.77 0.31 0.00 -2.10 0.00 0.00 70.33 67.77 1th4 n THR 28 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1th4 h GLY 29 N 0.00 0.57 -1.03 3.38 0.00 -1.94 -2.23 103.07 101.82 1th4 h GLY 29 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1th4 h GLY 29 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 176.54 177.45 1th4 n GLY 30 N -0.96 0.38 2.04 4.60 0.00 -1.26 -4.91 105.19 105.07 1th4 n GLY 30 Ca 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1th4 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th4 n GLY 31 N 1.01 0.47 3.72 -0.02 0.00 -0.84 -5.03 105.19 104.50 1th4 n GLY 31 Ca 0.11 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1th4 n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th4 s ASN 32 N -2.69 7.12 0.22 1.61 0.02 -1.26 -4.67 114.94 115.29 1th4 s ASN 32 Ca 0.00 1.35 -0.31 0.00 -1.02 0.00 0.00 52.86 52.88 1th4 s ASN 32 Cb 0.00 -2.46 -0.10 0.00 0.02 0.00 0.00 41.25 38.70 1th4 s ASN 32 CO 0.00 -0.13 1.54 -2.16 0.02 0.00 0.00 177.10 176.37 1th4 s PRO 33 N 0.69 4.21 0.08 -0.60 0.04 -1.26 -1.28 135.00 136.87 1th4 s PRO 33 Ca 0.41 2.40 -0.11 0.00 0.04 0.00 0.00 61.00 63.74 1th4 s PRO 33 Cb -0.19 -3.11 -0.06 0.00 0.04 0.00 0.00 34.50 31.19 1th4 s PRO 33 CO 0.21 -0.55 0.42 0.14 0.04 0.00 0.00 177.00 177.26 1th4 s VAL 34 N 0.49 5.06 -0.01 -0.36 -7.23 -0.92 -4.93 120.40 112.50 1th4 s VAL 34 Ca 0.65 0.54 -0.20 0.00 -1.81 0.00 0.00 61.98 61.16 1th4 s VAL 34 Cb -0.44 -3.66 -0.29 0.00 0.56 0.00 0.00 36.38 32.55 1th4 s VAL 34 CO 0.39 0.32 1.00 1.23 -0.31 0.00 0.00 175.10 177.73 1th4 h GLY 35 N 3.81 0.45 -5.92 2.32 0.00 -1.94 -3.46 103.07 98.34 1th4 h GLY 35 Ca -0.49 -0.97 -0.02 0.00 0.00 0.00 0.00 47.33 45.84 1th4 h GLY 35 CO 0.66 0.85 -0.33 -0.35 0.00 0.00 0.00 176.54 177.37 1th4 s ASP 36 N -6.99 -0.61 -0.59 0.19 2.15 -1.26 -5.05 116.67 104.51 1th4 s ASP 36 Ca -0.13 0.85 -0.00 0.00 0.43 0.00 0.00 52.55 53.71 1th4 s ASP 36 Cb 0.03 1.70 0.45 0.00 -0.30 0.00 0.00 42.92 44.80 1th4 s ASP 36 CO 0.85 -0.26 1.87 1.17 -0.17 0.00 0.00 175.17 178.63 1th4 n LYS 37 N 5.41 2.87 0.00 4.34 4.81 -1.26 -4.36 118.16 129.96 1th4 n LYS 37 Ca -0.06 -3.46 0.00 0.00 -0.87 0.00 0.00 58.31 53.92 1th4 n LYS 37 Cb 0.50 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.26 1th4 n LYS 37 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1th4 n LEU 38 N -0.88 0.00 -3.66 3.14 4.77 -1.26 -5.01 117.00 114.10 1th4 n LEU 38 Ca 0.59 -0.18 -0.27 0.00 -0.03 0.00 0.00 56.01 56.12 1th4 n LEU 38 Cb 0.73 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.66 1th4 n LEU 38 CO 0.72 0.00 -0.35 0.20 -1.33 0.00 0.00 177.39 176.63 1th4 s ASN 39 N -0.40 2.88 0.88 -1.43 0.01 -1.26 -5.14 114.94 110.49 1th4 s ASN 39 Ca 0.00 -0.87 -0.12 0.00 -0.71 0.00 0.00 52.86 51.15 1th4 s ASN 39 Cb 0.00 -0.46 0.07 0.00 0.41 0.00 0.00 41.25 41.27 1th4 s ASN 39 CO 0.00 -0.35 0.80 -1.20 -1.51 0.00 0.00 177.10 174.84 1th4 n SER 40 N 5.14 -0.64 -4.70 -1.22 7.64 -1.26 -4.94 113.62 113.65 1th4 n SER 40 Ca -0.07 0.44 -0.41 0.00 1.01 0.00 0.00 58.87 59.84 1th4 n SER 40 Cb 0.47 -1.35 -0.04 0.00 -1.01 0.00 0.00 64.21 62.28 1th4 n SER 40 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1th4 s LEU 41 N -3.49 4.29 0.28 -3.43 2.96 -1.26 -5.03 118.68 112.99 1th4 s LEU 41 Ca 0.64 1.38 0.03 0.00 -0.22 0.00 0.00 54.13 55.96 1th4 s LEU 41 Cb -0.25 -3.34 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1th4 s LEU 41 CO 0.60 -0.27 0.20 0.42 -1.32 0.00 0.00 176.35 175.97 1th4 s THR 42 N 1.36 0.07 -1.02 3.68 -4.23 -1.26 -1.29 115.64 112.96 1th4 s THR 42 Ca 0.44 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.83 1th4 s THR 42 Cb -0.19 -2.50 0.25 0.00 1.34 0.00 0.00 72.50 71.40 1th4 s THR 42 CO 0.20 0.00 1.01 0.54 -0.54 0.00 0.00 174.62 175.83 1th4 s VAL 43 N -3.75 5.78 0.00 2.29 0.11 -1.16 -4.92 120.40 118.76 1th4 s VAL 43 Ca 0.39 -3.00 0.00 0.00 -2.93 0.00 0.00 61.98 56.43 1th4 s VAL 43 Cb 0.05 -4.58 0.00 0.00 -1.53 0.00 0.00 36.38 30.31 1th4 s VAL 43 CO 0.20 -1.17 0.00 0.61 -3.33 0.00 0.00 175.10 171.41 1th4 n GLY 44 N 3.29 1.10 0.39 6.54 0.00 -1.26 -4.10 105.19 111.15 1th4 n GLY 44 Ca 0.21 -1.77 0.17 0.00 0.00 0.00 0.00 46.02 44.63 1th4 n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1th4 h PRO 45 N 0.00 0.48 -1.33 1.61 0.11 -2.02 -2.62 132.00 128.24 1th4 h PRO 45 Ca 0.00 -0.03 -0.59 0.00 0.11 0.00 0.00 66.00 65.49 1th4 h PRO 45 Cb 0.00 -0.11 -0.41 0.00 0.11 0.00 0.00 31.00 30.59 1th4 h PRO 45 CO 0.00 0.32 -0.60 0.54 -0.21 0.00 0.00 178.00 178.05 1th4 n ARG 46 N -4.54 3.42 -4.49 1.05 3.00 -1.26 -5.06 116.66 108.77 1th4 n ARG 46 Ca 0.19 -4.32 -0.27 0.00 -0.01 0.00 0.00 57.85 53.44 1th4 n ARG 46 Cb 0.63 -2.26 -0.10 0.00 0.00 0.00 0.00 32.46 30.73 1th4 n ARG 46 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1th4 s GLY 47 N -3.35 2.41 0.65 -0.13 0.00 -0.99 -5.05 107.32 100.86 1th4 s GLY 47 Ca 0.50 -2.22 -0.16 0.00 0.00 0.00 0.00 44.72 42.83 1th4 s GLY 47 CO -0.14 -2.04 1.14 -4.14 0.00 0.00 0.00 173.10 167.92 1th4 s PRO 48 N -3.74 2.74 0.08 2.90 0.02 -1.26 -4.52 135.00 131.22 1th4 s PRO 48 Ca 0.36 1.52 -0.30 0.00 0.02 0.00 0.00 61.00 62.59 1th4 s PRO 48 Cb 0.07 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.60 1th4 s PRO 48 CO 0.19 -1.32 1.17 -1.17 -0.33 0.00 0.00 177.00 175.54 1th4 s LEU 49 N -4.74 4.39 0.23 -5.54 2.96 -1.26 -2.99 118.68 111.73 1th4 s LEU 49 Ca 0.70 2.01 -0.15 0.00 -0.22 0.00 0.00 54.13 56.47 1th4 s LEU 49 Cb -0.23 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.80 1th4 s LEU 49 CO 0.40 -0.42 0.65 -0.76 -1.32 0.00 0.00 176.35 174.90 1th4 s LEU 50 N 0.81 4.24 0.46 -0.68 1.43 -0.41 -4.96 118.68 119.57 1th4 s LEU 50 Ca 0.57 1.20 0.14 0.00 -1.03 0.00 0.00 54.13 55.01 1th4 s LEU 50 Cb -0.29 -3.65 1.06 0.00 0.03 0.00 0.00 46.19 43.34 1th4 s LEU 50 CO 0.30 -0.03 2.05 0.58 0.23 0.00 0.00 176.35 179.48 1th4 h VAL 51 N 2.42 1.08 -0.94 -1.59 2.07 -1.96 -1.59 116.25 115.75 1th4 h VAL 51 Ca -0.48 -0.37 0.28 0.00 0.82 0.00 0.00 66.70 66.95 1th4 h VAL 51 Cb 1.18 1.12 -0.16 0.00 -1.52 0.00 0.00 31.29 31.91 1th4 h VAL 51 CO 0.66 0.11 0.23 1.56 0.02 0.00 0.00 177.57 180.15 1th4 h GLN 52 N 0.08 0.11 -5.54 1.57 4.20 -1.94 -3.36 115.11 110.23 1th4 h GLN 52 Ca 0.02 -0.01 -0.33 0.00 0.06 0.00 0.00 58.65 58.40 1th4 h GLN 52 Cb 0.17 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.93 1th4 h GLN 52 CO 0.01 0.08 1.15 0.34 -0.67 0.00 0.00 178.83 179.74 1th4 s ASP 53 N -4.97 4.26 -0.04 1.46 -1.08 -0.60 -4.71 116.67 110.99 1th4 s ASP 53 Ca -0.12 0.77 0.16 0.00 -0.52 0.00 0.00 52.55 52.84 1th4 s ASP 53 Cb 0.28 -2.52 -0.21 0.00 -1.46 0.00 0.00 42.92 39.02 1th4 s ASP 53 CO 0.78 -3.19 0.58 1.33 0.52 0.00 0.00 175.17 175.19 1th4 n VAL 54 N 8.24 1.30 -0.10 1.11 0.24 -1.26 -3.32 118.33 124.54 1th4 n VAL 54 Ca 0.40 -0.75 -0.06 0.00 -2.04 0.00 0.00 64.34 61.89 1th4 n VAL 54 Cb 0.51 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 1th4 n VAL 54 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1th4 h VAL 55 N 0.00 0.62 0.00 3.34 2.07 -1.95 -0.62 116.25 119.71 1th4 h VAL 55 Ca -0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1th4 h VAL 55 Cb 1.84 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1th4 h VAL 55 CO 0.05 0.00 0.00 0.33 0.02 0.00 0.00 177.57 177.97 1th4 n PHE 56 N -5.29 0.00 -0.20 1.57 7.35 -1.25 -2.22 117.46 117.42 1th4 n PHE 56 Ca 0.01 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.60 1th4 n PHE 56 Cb 0.21 -0.49 -0.08 0.00 0.35 0.00 0.00 39.48 39.47 1th4 n PHE 56 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1th4 h THR 57 N 0.00 0.00 -0.71 -2.13 2.02 -1.51 0.30 112.91 110.87 1th4 h THR 57 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1th4 h THR 57 Cb 0.00 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.32 1th4 h THR 57 CO 0.00 0.00 -0.46 -0.78 0.37 0.00 0.00 175.52 174.65 1th4 h ASP 58 N -0.20 -1.65 -0.37 4.18 3.58 -1.17 0.46 116.42 121.25 1th4 h ASP 58 Ca 0.08 0.25 0.05 0.00 0.42 0.00 0.00 57.03 57.84 1th4 h ASP 58 Cb 0.42 0.73 -0.05 0.00 1.72 0.00 0.00 39.33 42.15 1th4 h ASP 58 CO -0.58 -0.20 0.07 -0.08 -2.88 0.00 0.00 179.24 175.57 1th4 h GLU 59 N -0.04 0.19 0.62 0.28 4.81 -0.86 -2.31 114.58 117.26 1th4 h GLU 59 Ca 0.11 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1th4 h GLU 59 Cb 0.34 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.68 1th4 h GLU 59 CO -0.69 0.13 -0.30 1.98 -0.73 0.00 0.00 179.01 179.40 1th4 h MET 60 N 0.20 -0.80 -0.44 1.92 4.05 0.15 -2.20 114.93 117.82 1th4 h MET 60 Ca 0.18 0.05 0.09 0.00 -0.28 0.00 0.00 59.70 59.74 1th4 h MET 60 Cb 0.20 0.18 -0.08 0.00 -0.80 0.00 0.00 31.60 31.10 1th4 h MET 60 CO -0.23 -0.49 -0.12 0.00 0.23 0.00 0.00 176.91 176.31 1th4 h ALA 61 N -0.69 0.28 -0.64 0.39 0.00 -0.18 0.60 119.26 119.02 1th4 h ALA 61 Ca -0.08 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1th4 h ALA 61 Cb 0.68 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1th4 h ALA 61 CO 0.14 -0.46 0.43 1.25 0.00 0.00 0.00 179.25 180.61 1th4 h HIS 62 N -0.01 0.52 -0.04 0.00 6.17 -1.38 -0.38 115.15 120.02 1th4 h HIS 62 Ca 0.21 0.01 -0.18 0.00 0.71 0.00 0.00 60.37 61.12 1th4 h HIS 62 Cb 0.33 -0.17 0.01 0.00 2.52 0.00 0.00 27.41 30.10 1th4 h HIS 62 CO -0.39 0.25 -0.70 0.35 0.71 0.00 0.00 177.93 178.16 1th4 h PHE 63 N 0.49 0.77 0.00 5.26 3.04 -0.23 -3.05 116.94 123.22 1th4 h PHE 63 Ca 0.29 -0.39 0.00 0.00 3.98 0.00 0.00 57.97 61.85 1th4 h PHE 63 Cb 0.50 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1th4 h PHE 63 CO -0.00 1.21 0.14 -0.25 -2.02 0.00 0.00 178.31 177.39 1th4 n ASP 64 N -4.11 0.00 0.00 0.41 8.00 0.19 -1.69 116.55 119.35 1th4 n ASP 64 Ca -0.10 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1th4 n ASP 64 Cb 0.71 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1th4 n ASP 64 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1th4 n ARG 65 N -1.34 2.60 -0.37 -1.24 1.74 -1.06 -4.82 116.66 112.16 1th4 n ARG 65 Ca 0.00 -0.22 0.30 0.00 -0.77 0.00 0.00 57.85 57.17 1th4 n ARG 65 Cb 0.14 -0.68 0.50 0.00 -1.02 0.00 0.00 32.46 31.39 1th4 n ARG 65 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1th4 n GLU 66 N -0.43 -0.02 -3.14 5.56 1.02 -0.68 -4.49 120.64 118.45 1th4 n GLU 66 Ca 0.00 0.85 -0.37 0.00 -0.02 0.00 0.00 57.16 57.62 1th4 n GLU 66 Cb 0.02 -1.74 -0.06 0.00 -0.02 0.00 0.00 31.44 29.64 1th4 n GLU 66 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1th4 s ARG 67 N -4.64 4.24 0.17 3.49 1.81 -1.26 -5.09 118.95 117.67 1th4 s ARG 67 Ca -0.05 0.83 0.05 0.00 -1.72 0.00 0.00 55.73 54.84 1th4 s ARG 67 Cb 0.21 -2.97 -0.05 0.00 -0.45 0.00 0.00 34.95 31.70 1th4 s ARG 67 CO 0.59 0.45 -0.09 0.96 -0.68 0.00 0.00 175.30 176.53 1th4 s ILE 68 N -1.43 1.23 0.60 1.52 -4.36 -1.26 -5.12 121.20 112.38 1th4 s ILE 68 Ca 0.40 -2.08 -0.19 0.00 -0.26 0.00 0.00 60.65 58.52 1th4 s ILE 68 Cb -0.17 -1.97 -0.03 0.00 1.25 0.00 0.00 42.46 41.54 1th4 s ILE 68 CO 0.21 -0.65 1.28 -2.84 0.24 0.00 0.00 174.94 173.18 1th4 s PRO 69 N -3.75 2.86 0.70 0.37 0.02 -1.26 -5.01 135.00 128.92 1th4 s PRO 69 Ca 0.20 2.03 -0.07 0.00 0.02 0.00 0.00 61.00 63.18 1th4 s PRO 69 Cb 0.03 -1.99 0.06 0.00 0.02 0.00 0.00 34.50 32.61 1th4 s PRO 69 CO 0.03 -1.35 1.01 -1.83 -0.33 0.00 0.00 177.00 174.53 1th4 s GLU 70 N -3.22 2.24 0.26 5.54 -1.05 -1.26 -4.92 118.70 116.29 1th4 s GLU 70 Ca 0.78 -0.22 -0.30 0.00 -0.15 0.00 0.00 54.97 55.08 1th4 s GLU 70 Cb -0.36 -2.17 -0.10 0.00 -0.44 0.00 0.00 34.13 31.06 1th4 s GLU 70 CO 0.40 -1.21 1.43 1.03 0.95 0.00 0.00 175.26 177.86 1th4 s ARG 71 N -5.24 4.27 0.56 -4.83 0.52 -1.26 -4.86 118.95 108.11 1th4 s ARG 71 Ca 0.60 2.30 0.28 0.00 -0.52 0.00 0.00 55.73 58.39 1th4 s ARG 71 Cb -0.11 -3.10 1.47 0.00 0.52 0.00 0.00 34.95 33.73 1th4 s ARG 71 CO 0.45 -0.41 1.94 -0.24 0.02 0.00 0.00 175.30 177.06 1th4 h VAL 72 N 3.49 0.53 -4.04 3.52 3.04 -1.98 -3.38 116.25 117.43 1th4 h VAL 72 Ca -0.46 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.12 1th4 h VAL 72 Cb 1.22 0.66 -0.14 0.00 -2.01 0.00 0.00 31.29 31.01 1th4 h VAL 72 CO 0.77 0.00 -0.53 0.68 -1.01 0.00 0.00 177.57 177.48 1th4 s VAL 73 N -4.82 0.18 -1.37 1.51 -7.23 -1.26 -4.90 120.40 102.51 1th4 s VAL 73 Ca -0.05 -1.51 -0.09 0.00 -1.81 0.00 0.00 61.98 58.52 1th4 s VAL 73 Cb 0.18 -1.46 0.02 0.00 0.56 0.00 0.00 36.38 35.68 1th4 s VAL 73 CO 0.65 -0.81 1.13 1.41 -0.31 0.00 0.00 175.10 177.17 1th4 n HIS 74 N 0.02 -2.71 0.32 2.82 -0.00 -0.23 -4.94 115.22 110.50 1th4 n HIS 74 Ca -0.14 0.99 -0.15 0.00 -0.00 0.00 0.00 57.72 58.42 1th4 n HIS 74 Cb 0.62 -4.87 -0.08 0.00 -0.00 0.00 0.00 29.99 25.67 1th4 n HIS 74 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1th4 h ALA 75 N 1.00 -0.84 -2.16 -1.41 0.00 -1.72 -3.43 119.26 110.71 1th4 h ALA 75 Ca -0.57 -0.21 -0.56 0.00 0.00 0.00 0.00 54.91 53.57 1th4 h ALA 75 Cb 1.37 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1th4 h ALA 75 CO 0.57 -0.84 1.03 0.21 0.00 0.00 0.00 179.25 180.23 1th4 s LYS 76 N -4.89 4.09 0.19 0.00 2.36 -1.22 -4.75 119.74 115.51 1th4 s LYS 76 Ca -0.15 1.85 -0.24 0.00 -2.55 0.00 0.00 55.97 54.89 1th4 s LYS 76 Cb 0.02 -3.92 0.05 0.00 -1.05 0.00 0.00 37.83 32.93 1th4 s LYS 76 CO 0.48 -0.92 0.86 0.20 1.55 0.00 0.00 175.35 177.52 1th4 s GLY 77 N 3.10 -0.21 0.03 5.54 0.00 -1.26 -1.52 107.32 112.99 1th4 s GLY 77 Ca 0.66 0.05 0.06 0.00 0.00 0.00 0.00 44.72 45.49 1th4 s GLY 77 CO 0.24 -0.00 -0.19 0.00 0.00 0.00 0.00 173.10 173.16 1th4 s ALA 78 N -3.51 1.56 0.06 3.20 0.00 0.71 -4.89 121.76 118.89 1th4 s ALA 78 Ca 0.11 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1th4 s ALA 78 Cb -0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1th4 s ALA 78 CO 0.03 0.35 -0.07 0.20 0.00 0.00 0.00 175.76 176.27 1th4 s GLY 79 N -0.94 0.59 0.29 0.00 0.00 -1.26 0.48 107.32 106.47 1th4 s GLY 79 Ca 0.06 -1.01 -0.11 0.00 0.00 0.00 0.00 44.72 43.66 1th4 s GLY 79 CO 0.01 -1.09 0.53 0.00 0.00 0.00 0.00 173.10 172.55 1th4 s ALA 80 N -2.41 -0.14 0.18 3.20 0.00 -0.12 -4.43 121.76 118.04 1th4 s ALA 80 Ca -0.01 -0.97 0.11 0.00 0.00 0.00 0.00 51.96 51.10 1th4 s ALA 80 Cb -0.03 1.03 -0.04 0.00 0.00 0.00 0.00 23.12 24.08 1th4 s ALA 80 CO -0.02 -0.87 -0.25 -0.06 0.00 0.00 0.00 175.76 174.56 1th4 s PHE 81 N -3.60 2.31 0.00 0.00 0.40 0.39 -0.45 117.98 117.03 1th4 s PHE 81 Ca 0.23 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1th4 s PHE 81 Cb -0.01 -1.17 0.00 0.00 0.51 0.00 0.00 43.02 42.35 1th4 s PHE 81 CO 0.12 0.46 0.00 0.41 0.70 0.00 0.00 175.22 176.91 1th4 n GLY 82 N 0.41 2.75 3.19 4.36 0.00 -0.37 -1.45 105.19 114.08 1th4 n GLY 82 Ca -0.14 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 1th4 n GLY 82 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1th4 s TYR 83 N -1.54 0.25 -0.14 1.61 -0.85 0.56 -0.63 117.35 116.61 1th4 s TYR 83 Ca 0.00 -0.70 -0.02 0.00 -0.52 0.00 0.00 57.07 55.83 1th4 s TYR 83 Cb 0.00 -0.13 -0.03 0.00 0.38 0.00 0.00 41.96 42.18 1th4 s TYR 83 CO 0.00 -0.52 -0.06 0.12 -1.52 0.00 0.00 175.55 173.57 1th4 s PHE 84 N -3.88 2.98 -0.12 -3.49 5.36 -0.11 -1.50 117.98 117.22 1th4 s PHE 84 Ca 0.06 -0.30 0.02 0.00 -0.96 0.00 0.00 56.93 55.75 1th4 s PHE 84 Cb 0.05 -1.90 -0.00 0.00 -0.34 0.00 0.00 43.02 40.83 1th4 s PHE 84 CO -0.10 -0.00 -0.20 -2.00 -1.46 0.00 0.00 175.22 171.46 1th4 s GLU 85 N 0.16 3.17 0.31 10.12 2.12 0.22 -1.54 118.70 133.25 1th4 s GLU 85 Ca -0.03 -0.81 -0.28 0.00 0.36 0.00 0.00 54.97 54.22 1th4 s GLU 85 Cb -0.14 -2.44 -0.09 0.00 0.26 0.00 0.00 34.13 31.72 1th4 s GLU 85 CO 0.03 0.17 1.06 0.08 -0.54 0.00 0.00 175.26 176.06 1th4 s VAL 86 N 0.40 3.64 0.00 3.70 1.01 -0.96 0.04 120.40 128.23 1th4 s VAL 86 Ca -0.15 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1th4 s VAL 86 Cb -0.17 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1th4 s VAL 86 CO 0.07 0.28 0.00 0.35 0.00 0.00 0.00 175.10 175.80 1th4 n THR 87 N 0.90 0.00 -4.11 3.92 -2.24 -0.11 -1.59 114.28 111.04 1th4 n THR 87 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1th4 n THR 87 Cb 0.46 -0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 68.29 1th4 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1th4 s HIS 88 N -1.48 0.81 -0.43 4.78 3.76 -0.29 -4.91 115.29 117.53 1th4 s HIS 88 Ca 0.00 -0.63 -0.20 0.00 -0.15 0.00 0.00 55.06 54.08 1th4 s HIS 88 Cb 0.00 -0.47 0.02 0.00 1.11 0.00 0.00 32.58 33.24 1th4 s HIS 88 CO 0.00 -0.08 0.57 0.34 -0.85 0.00 0.00 174.74 174.72 1th4 s ASP 89 N -2.11 6.28 -0.26 1.40 -1.08 -1.26 -4.83 116.67 114.80 1th4 s ASP 89 Ca -0.01 -0.47 0.09 0.00 -0.52 0.00 0.00 52.55 51.63 1th4 s ASP 89 Cb -0.05 -2.29 0.45 0.00 -1.46 0.00 0.00 42.92 39.57 1th4 s ASP 89 CO -0.01 -0.72 1.20 2.30 0.52 0.00 0.00 175.17 178.46 1th4 n ILE 90 N 5.71 2.37 0.21 4.11 -5.35 -1.26 -4.75 119.36 120.39 1th4 n ILE 90 Ca -0.04 -3.81 0.18 0.00 -0.27 0.00 0.00 62.75 58.82 1th4 n ILE 90 Cb 0.48 -0.75 0.84 0.00 -1.74 0.00 0.00 39.64 38.47 1th4 n ILE 90 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1th4 h THR 91 N 1.82 0.37 0.01 7.28 2.02 -1.89 0.06 112.91 122.58 1th4 h THR 91 Ca 0.22 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.21 1th4 h THR 91 Cb 1.33 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1th4 h THR 91 CO 0.46 0.00 -0.89 0.08 0.37 0.00 0.00 175.52 175.54 1th4 h ARG 92 N 0.00 0.08 0.16 6.66 -0.00 -1.99 -3.33 114.38 115.96 1th4 h ARG 92 Ca 0.09 -0.09 -0.30 0.00 -0.00 0.00 0.00 59.98 59.68 1th4 h ARG 92 Cb 0.59 0.03 0.01 0.00 -0.00 0.00 0.00 29.97 30.60 1th4 h ARG 92 CO -0.00 0.91 -1.48 1.88 -0.00 0.00 0.00 179.97 181.28 1th4 h TYR 93 N 0.04 0.63 -4.17 4.08 0.05 -1.41 -3.40 116.97 112.78 1th4 h TYR 93 Ca -0.03 -0.46 -0.49 0.00 0.05 0.00 0.00 58.73 57.81 1th4 h TYR 93 Cb 1.54 -0.03 -0.28 0.00 1.01 0.00 0.00 36.73 38.98 1th4 h TYR 93 CO 0.01 1.58 -0.81 0.45 -1.05 0.00 0.00 178.16 178.34 1th4 s SER 94 N -7.19 1.75 0.00 3.88 0.15 -0.49 -2.73 113.70 109.07 1th4 s SER 94 Ca -0.16 -0.33 0.23 0.00 0.70 0.00 0.00 55.95 56.38 1th4 s SER 94 Cb 0.04 -0.17 0.20 0.00 -1.71 0.00 0.00 66.02 64.39 1th4 s SER 94 CO 0.83 0.14 1.25 2.29 1.20 0.00 0.00 173.24 178.95 1th4 n LYS 95 N 2.43 2.25 -1.68 5.44 2.85 -0.34 -4.10 118.16 125.02 1th4 n LYS 95 Ca -0.15 -1.92 -0.52 0.00 -1.05 0.00 0.00 58.31 54.66 1th4 n LYS 95 Cb 0.55 -1.45 -0.06 0.00 -0.65 0.00 0.00 35.03 33.42 1th4 n LYS 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1th4 n ALA 96 N 1.32 0.27 -0.31 0.58 0.00 -1.20 -4.82 120.51 116.34 1th4 n ALA 96 Ca 0.14 0.37 0.25 0.00 0.00 0.00 0.00 53.44 54.21 1th4 n ALA 96 Cb 0.58 -2.32 0.57 0.00 0.00 0.00 0.00 19.45 18.28 1th4 n ALA 96 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1th4 h LYS 97 N 7.42 0.29 0.00 0.00 1.57 -1.94 0.30 116.57 124.20 1th4 h LYS 97 Ca -0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1th4 h LYS 97 Cb 1.30 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1th4 h LYS 97 CO 0.92 0.19 0.08 1.55 -0.57 0.00 0.00 179.45 181.63 1th4 n VAL 98 N -4.52 1.13 0.10 0.50 3.14 -1.26 -0.21 118.33 117.21 1th4 n VAL 98 Ca 0.25 0.68 0.01 0.00 -2.96 0.00 0.00 64.34 62.32 1th4 n VAL 98 Cb 0.95 -1.68 0.01 0.00 -1.06 0.00 0.00 33.84 32.06 1th4 n VAL 98 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1th4 n PHE 99 N -1.99 0.00 -0.10 1.45 3.72 0.10 -4.82 117.46 115.82 1th4 n PHE 99 Ca -0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.37 1th4 n PHE 99 Cb 0.11 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.63 1th4 n PHE 99 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1th4 n GLU 100 N -0.12 -0.09 -3.14 -1.08 2.13 0.71 -4.68 120.64 114.38 1th4 n GLU 100 Ca 0.01 0.36 -0.11 0.00 0.66 0.00 0.00 57.16 58.08 1th4 n GLU 100 Cb 0.06 -0.53 -0.04 0.00 0.27 0.00 0.00 31.44 31.20 1th4 n GLU 100 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1th4 n HIS 101 N -4.31 -0.14 -3.27 4.31 8.25 -1.26 -4.98 115.22 113.82 1th4 n HIS 101 Ca 0.01 -1.32 -0.41 0.00 -0.26 0.00 0.00 57.72 55.74 1th4 n HIS 101 Cb 0.07 0.06 -0.08 0.00 1.12 0.00 0.00 29.99 31.16 1th4 n HIS 101 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1th4 s ILE 102 N -2.46 5.06 0.00 1.59 -1.09 -1.26 -3.83 121.20 119.20 1th4 s ILE 102 Ca 0.14 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 59.07 1th4 s ILE 102 Cb 0.01 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1th4 s ILE 102 CO 0.10 -0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 1th4 n GLY 103 N 4.68 1.05 3.64 6.18 0.00 -0.62 -4.98 105.19 115.14 1th4 n GLY 103 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1th4 n GLY 103 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1th4 s LYS 104 N -0.04 4.11 0.13 1.61 2.36 -1.25 -4.74 119.74 121.92 1th4 s LYS 104 Ca 0.00 1.00 -0.13 0.00 -2.55 0.00 0.00 55.97 54.29 1th4 s LYS 104 Cb 0.00 -3.69 -0.07 0.00 -1.05 0.00 0.00 37.83 33.02 1th4 s LYS 104 CO 0.00 -0.70 0.50 1.03 1.55 0.00 0.00 175.35 177.73 1th4 s ARG 105 N 3.21 3.91 -0.09 4.03 1.81 -1.25 -2.28 118.95 128.29 1th4 s ARG 105 Ca 0.40 0.40 -0.04 0.00 -1.72 0.00 0.00 55.73 54.77 1th4 s ARG 105 Cb -0.14 -2.95 0.05 0.00 -0.45 0.00 0.00 34.95 31.46 1th4 s ARG 105 CO 0.11 0.50 0.19 0.99 -0.68 0.00 0.00 175.30 176.41 1th4 s THR 106 N -1.44 -0.22 0.18 0.02 2.01 -0.59 -4.93 115.64 110.67 1th4 s THR 106 Ca 0.36 0.28 -0.32 0.00 0.31 0.00 0.00 61.69 62.32 1th4 s THR 106 Cb -0.15 -0.32 -0.11 0.00 0.01 0.00 0.00 72.50 71.93 1th4 s THR 106 CO 0.19 0.12 1.66 -2.84 -0.69 0.00 0.00 174.62 173.05 1th4 s PRO 107 N 1.94 4.17 0.18 4.92 0.02 -1.26 -0.93 135.00 144.03 1th4 s PRO 107 Ca -0.02 2.49 0.07 0.00 0.02 0.00 0.00 61.00 63.56 1th4 s PRO 107 Cb -0.12 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 1th4 s PRO 107 CO -0.07 -0.69 -0.14 0.96 -0.33 0.00 0.00 177.00 176.73 1th4 s ILE 108 N 1.27 1.57 0.03 2.83 -4.36 0.19 -0.52 121.20 122.22 1th4 s ILE 108 Ca 0.73 -2.07 0.04 0.00 -0.26 0.00 0.00 60.65 59.09 1th4 s ILE 108 Cb -0.47 -1.90 -0.02 0.00 1.25 0.00 0.00 42.46 41.32 1th4 s ILE 108 CO 0.32 -0.57 -0.12 0.00 0.24 0.00 0.00 174.94 174.81 1th4 s ALA 109 N -2.82 0.98 -0.01 2.27 0.00 -0.74 -1.23 121.76 120.21 1th4 s ALA 109 Ca 0.18 -0.73 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 1th4 s ALA 109 Cb -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1th4 s ALA 109 CO 0.05 0.17 0.11 0.08 0.00 0.00 0.00 175.76 176.17 1th4 s VAL 110 N -0.82 0.06 -0.03 0.00 1.01 0.41 -0.41 120.40 120.60 1th4 s VAL 110 Ca -0.00 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1th4 s VAL 110 Cb -0.07 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 36.01 1th4 s VAL 110 CO 0.01 -0.26 -0.02 -0.60 0.00 0.00 0.00 175.10 174.24 1th4 s ARG 111 N -0.86 0.45 -0.09 2.72 3.52 -1.07 -0.94 118.95 122.68 1th4 s ARG 111 Ca -0.10 0.00 -0.05 0.00 -0.13 0.00 0.00 55.73 55.46 1th4 s ARG 111 Cb -0.05 -0.56 -0.04 0.00 -1.56 0.00 0.00 34.95 32.74 1th4 s ARG 111 CO 0.01 -0.10 0.10 -0.06 -0.81 0.00 0.00 175.30 174.44 1th4 s PHE 112 N 0.87 3.45 -0.05 5.12 0.08 0.18 -2.90 117.98 124.72 1th4 s PHE 112 Ca -0.10 0.39 -0.25 0.00 0.12 0.00 0.00 56.93 57.09 1th4 s PHE 112 Cb -0.13 -1.87 0.05 0.00 -0.57 0.00 0.00 43.02 40.51 1th4 s PHE 112 CO -0.01 0.64 0.56 -1.54 -0.10 0.00 0.00 175.22 174.77 1th4 s SER 113 N -1.16 -0.51 1.02 1.36 1.04 -0.42 -0.21 113.70 114.81 1th4 s SER 113 Ca 0.17 0.57 -0.05 0.00 0.48 0.00 0.00 55.95 57.12 1th4 s SER 113 Cb -0.12 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.60 1th4 s SER 113 CO 0.06 -0.52 0.33 0.35 0.98 0.00 0.00 173.24 174.44 1th4 n THR 114 N 1.19 0.00 0.00 2.02 -2.24 -0.57 0.39 114.28 115.07 1th4 n THR 114 Ca -0.19 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1th4 n THR 114 Cb 0.57 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 1th4 n THR 114 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1th4 n VAL 115 N -2.63 0.00 0.61 2.28 0.31 -1.24 -3.74 118.33 113.91 1th4 n VAL 115 Ca 0.04 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.41 1th4 n VAL 115 Cb 0.15 -0.49 0.23 0.00 -0.91 0.00 0.00 33.84 32.82 1th4 n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1th4 n ALA 116 N -1.80 1.85 -2.61 3.52 0.00 -1.26 -1.07 120.51 119.14 1th4 n ALA 116 Ca 0.00 -0.05 -0.38 0.00 0.00 0.00 0.00 53.44 53.01 1th4 n ALA 116 Cb 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 1th4 n ALA 116 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1th4 s GLY 117 N -1.93 2.42 1.09 0.00 0.00 -1.26 -4.67 107.32 102.97 1th4 s GLY 117 Ca 0.11 -0.22 -0.12 0.00 0.00 0.00 0.00 44.72 44.49 1th4 s GLY 117 CO 0.09 0.46 1.06 -0.54 0.00 0.00 0.00 173.10 174.16 1th4 s GLU 118 N -0.18 -0.35 0.32 2.90 8.01 -1.26 -3.43 118.70 124.71 1th4 s GLU 118 Ca 0.24 0.77 0.10 0.00 0.01 0.00 0.00 54.97 56.09 1th4 s GLU 118 Cb -0.16 -1.63 0.90 0.00 -4.31 0.00 0.00 34.13 28.94 1th4 s GLU 118 CO 0.11 -3.32 1.73 0.77 0.01 0.00 0.00 175.26 174.56 1th4 h SER 119 N -2.33 0.66 1.16 -0.19 0.02 -1.94 -1.28 113.55 109.65 1th4 h SER 119 Ca -0.58 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1th4 h SER 119 Cb 1.33 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1th4 h SER 119 CO 0.52 0.11 -0.25 0.61 -1.14 0.00 0.00 176.83 176.68 1th4 n GLY 120 N -1.32 -1.56 3.12 -3.77 0.00 -1.26 -4.54 105.19 95.86 1th4 n GLY 120 Ca 0.27 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1th4 n GLY 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1th4 n SER 121 N -2.10 -2.70 -4.85 1.61 3.41 -0.48 -4.99 113.62 103.52 1th4 n SER 121 Ca 0.05 -0.21 -0.34 0.00 -0.26 0.00 0.00 58.87 58.11 1th4 n SER 121 Cb 0.42 -0.80 -0.06 0.00 -0.26 0.00 0.00 64.21 63.51 1th4 n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th4 s ALA 122 N -2.13 3.79 0.11 7.33 0.00 -1.26 -4.86 121.76 124.74 1th4 s ALA 122 Ca 0.44 -0.77 -0.25 0.00 0.00 0.00 0.00 51.96 51.39 1th4 s ALA 122 Cb -0.06 -1.79 -0.08 0.00 0.00 0.00 0.00 23.12 21.19 1th4 s ALA 122 CO 0.52 0.69 1.67 -0.44 0.00 0.00 0.00 175.76 178.21 1th4 h ASP 123 N 4.23 -0.45 -1.14 0.00 3.32 -0.53 -3.40 116.42 118.45 1th4 h ASP 123 Ca -0.50 0.06 -0.60 0.00 0.02 0.00 0.00 57.03 56.01 1th4 h ASP 123 Cb 1.20 0.18 -0.10 0.00 0.22 0.00 0.00 39.33 40.82 1th4 h ASP 123 CO 0.64 -0.22 1.49 0.42 -1.72 0.00 0.00 179.24 179.84 1th4 s THR 124 N -6.13 3.93 -0.19 0.35 -4.23 -1.26 -4.91 115.64 103.19 1th4 s THR 124 Ca -0.15 -0.76 -0.18 0.00 -1.18 0.00 0.00 61.69 59.42 1th4 s THR 124 Cb 0.08 -5.06 0.05 0.00 1.34 0.00 0.00 72.50 68.92 1th4 s THR 124 CO 0.66 -1.93 0.52 0.68 -0.54 0.00 0.00 174.62 174.01 1th4 s VAL 125 N 4.96 0.00 -0.37 2.29 -7.23 -1.26 -4.60 120.40 114.19 1th4 s VAL 125 Ca 0.46 -0.00 -0.37 0.00 -1.81 0.00 0.00 61.98 60.25 1th4 s VAL 125 Cb -0.00 -0.73 -0.13 0.00 0.56 0.00 0.00 36.38 36.08 1th4 s VAL 125 CO -0.10 -0.00 2.17 -1.14 -0.31 0.00 0.00 175.10 175.72 1th4 n ARG 126 N 2.77 0.90 -3.65 4.82 3.00 -1.24 -4.73 116.66 118.52 1th4 n ARG 126 Ca -0.14 0.25 -0.04 0.00 -0.00 0.00 0.00 57.85 57.92 1th4 n ARG 126 Cb 0.56 -2.28 -0.07 0.00 0.00 0.00 0.00 32.46 30.67 1th4 n ARG 126 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1th4 s ASP 127 N 6.97 -0.14 0.81 6.15 2.15 -1.12 -5.04 116.67 126.45 1th4 s ASP 127 Ca 1.11 0.26 -0.12 0.00 0.43 0.00 0.00 52.55 54.23 1th4 s ASP 127 Cb -0.97 0.29 0.09 0.00 -0.30 0.00 0.00 42.92 42.02 1th4 s ASP 127 CO 0.52 -0.04 1.14 -2.84 -0.17 0.00 0.00 175.17 173.78 1th4 s PRO 128 N 0.10 1.76 -0.17 4.34 0.02 -1.26 -4.83 135.00 134.96 1th4 s PRO 128 Ca 0.06 1.47 -0.07 0.00 0.02 0.00 0.00 61.00 62.48 1th4 s PRO 128 Cb -0.05 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.61 1th4 s PRO 128 CO -0.14 -2.07 0.08 1.03 -0.33 0.00 0.00 177.00 175.58 1th4 s ARG 129 N -4.52 3.88 -0.07 5.54 3.00 -1.26 -3.69 118.95 121.82 1th4 s ARG 129 Ca 0.67 -0.29 -0.28 0.00 0.00 0.00 0.00 55.73 55.82 1th4 s ARG 129 Cb -0.22 -3.22 -0.02 0.00 0.00 0.00 0.00 34.95 31.48 1th4 s ARG 129 CO 0.53 0.38 0.92 0.20 0.00 0.00 0.00 175.30 177.33 1th4 s GLY 130 N 0.08 2.57 -0.24 -3.53 0.00 1.29 -1.64 107.32 105.85 1th4 s GLY 130 Ca 0.07 0.34 -0.01 0.00 0.00 0.00 0.00 44.72 45.12 1th4 s GLY 130 CO 0.00 1.67 0.02 -0.12 0.00 0.00 0.00 173.10 174.68 1th4 s PHE 131 N 1.45 1.70 -0.09 1.90 2.19 -1.13 -1.30 117.98 122.70 1th4 s PHE 131 Ca 0.46 -1.41 0.00 0.00 0.33 0.00 0.00 56.93 56.32 1th4 s PHE 131 Cb -0.19 -1.42 0.02 0.00 -1.31 0.00 0.00 43.02 40.12 1th4 s PHE 131 CO 0.21 -0.74 -0.08 0.00 1.83 0.00 0.00 175.22 176.44 1th4 s ALA 132 N 1.63 1.25 -0.13 11.12 0.00 -1.14 0.13 121.76 134.61 1th4 s ALA 132 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 1th4 s ALA 132 Cb -0.18 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 1th4 s ALA 132 CO -0.12 -0.25 -0.07 0.08 0.00 0.00 0.00 175.76 175.41 1th4 s VAL 133 N 1.38 3.60 -0.40 0.00 1.01 -1.05 -2.61 120.40 122.34 1th4 s VAL 133 Ca -0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1th4 s VAL 133 Cb -0.14 -2.54 0.08 0.00 0.00 0.00 0.00 36.38 33.78 1th4 s VAL 133 CO -0.04 0.52 0.20 -0.75 0.00 0.00 0.00 175.10 175.03 1th4 s LYS 134 N 0.15 2.47 -0.38 2.72 2.20 0.45 -0.59 119.74 126.76 1th4 s LYS 134 Ca -0.03 -1.47 -0.23 0.00 -0.36 0.00 0.00 55.97 53.87 1th4 s LYS 134 Cb -0.14 -3.64 0.01 0.00 -1.51 0.00 0.00 37.83 32.55 1th4 s LYS 134 CO 0.03 -0.91 0.77 -0.06 -0.36 0.00 0.00 175.35 174.83 1th4 s PHE 135 N 1.35 3.10 -0.92 4.03 0.40 -0.95 -1.79 117.98 123.20 1th4 s PHE 135 Ca 0.03 0.48 -0.19 0.00 -0.60 0.00 0.00 56.93 56.65 1th4 s PHE 135 Cb -0.22 -3.42 0.13 0.00 0.51 0.00 0.00 43.02 40.02 1th4 s PHE 135 CO 0.01 -0.76 1.10 0.71 0.70 0.00 0.00 175.22 176.97 1th4 s TYR 136 N 3.10 3.15 0.50 0.36 2.02 0.32 -1.45 117.35 125.35 1th4 s TYR 136 Ca 0.31 -1.41 0.09 0.00 -0.37 0.00 0.00 57.07 55.68 1th4 s TYR 136 Cb -0.13 -4.25 0.05 0.00 -0.40 0.00 0.00 41.96 37.22 1th4 s TYR 136 CO 0.18 -1.46 0.68 0.95 -1.57 0.00 0.00 175.55 174.32 1th4 s THR 137 N 2.56 2.53 -1.04 -0.71 -4.23 0.10 -4.22 115.64 110.63 1th4 s THR 137 Ca 0.32 -1.02 0.13 0.00 -1.18 0.00 0.00 61.69 59.94 1th4 s THR 137 Cb -0.05 -2.55 0.12 0.00 1.34 0.00 0.00 72.50 71.35 1th4 s THR 137 CO -0.09 0.00 1.39 -0.62 -0.54 0.00 0.00 174.62 174.76 1th4 n GLU 138 N -2.04 0.02 -0.56 3.99 4.71 -1.24 -1.15 120.64 124.37 1th4 n GLU 138 Ca 0.12 0.27 0.07 0.00 -0.01 0.00 0.00 57.16 57.60 1th4 n GLU 138 Cb 0.60 -1.50 0.27 0.00 -1.01 0.00 0.00 31.44 29.81 1th4 n GLU 138 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1th4 n ASP 139 N -1.48 4.04 0.00 1.62 8.00 -1.26 -4.57 116.55 122.90 1th4 n ASP 139 Ca 0.03 -3.08 0.00 0.00 0.71 0.00 0.00 54.79 52.45 1th4 n ASP 139 Cb 0.14 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1th4 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1th4 n GLY 140 N -0.42 -1.76 3.84 0.44 0.00 -0.30 -4.71 105.19 102.28 1th4 n GLY 140 Ca 0.24 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.90 1th4 n GLY 140 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th4 s ASN 141 N -4.00 6.73 -0.28 1.61 0.01 -1.26 -0.72 114.94 117.03 1th4 s ASN 141 Ca 0.00 0.87 0.02 0.00 -0.71 0.00 0.00 52.86 53.04 1th4 s ASN 141 Cb 0.00 -2.22 0.07 0.00 0.41 0.00 0.00 41.25 39.51 1th4 s ASN 141 CO 0.00 0.33 -0.06 0.86 -1.51 0.00 0.00 177.10 176.73 1th4 s TRP 142 N -1.03 3.37 -0.27 2.20 -0.00 -0.53 -4.21 118.94 118.48 1th4 s TRP 142 Ca 0.22 -2.41 -0.22 0.00 -0.00 0.00 0.00 56.10 53.69 1th4 s TRP 142 Cb -0.16 -2.18 -0.01 0.00 -0.00 0.00 0.00 33.47 31.12 1th4 s TRP 142 CO 0.12 -0.89 0.69 -0.51 -0.00 0.00 0.00 176.95 176.36 1th4 s ASP 143 N 1.10 6.62 -1.08 5.86 1.01 -1.18 -2.23 116.67 126.77 1th4 s ASP 143 Ca -0.04 0.71 -0.11 0.00 0.71 0.00 0.00 52.55 53.82 1th4 s ASP 143 Cb -0.20 -2.36 0.24 0.00 1.01 0.00 0.00 42.92 41.61 1th4 s ASP 143 CO -0.05 -0.45 1.12 -0.22 0.21 0.00 0.00 175.17 175.78 1th4 s LEU 144 N 2.65 6.11 -1.12 1.23 2.96 0.24 -4.50 118.68 126.25 1th4 s LEU 144 Ca 0.28 -3.29 -0.22 0.00 -0.22 0.00 0.00 54.13 50.68 1th4 s LEU 144 Cb -0.15 -2.25 -0.02 0.00 0.50 0.00 0.00 46.19 44.26 1th4 s LEU 144 CO 0.09 -0.45 1.82 -0.69 -1.32 0.00 0.00 176.35 175.80 1th4 s VAL 145 N -0.36 3.71 0.00 1.68 1.01 -1.26 -2.53 120.40 122.65 1th4 s VAL 145 Ca 0.31 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1th4 s VAL 145 Cb -0.08 -4.65 0.00 0.00 0.00 0.00 0.00 36.38 31.64 1th4 s VAL 145 CO -0.07 -1.37 0.00 0.61 0.00 0.00 0.00 175.10 174.28 1th4 n GLY 146 N 6.14 1.40 3.77 4.51 0.00 0.12 -4.91 105.19 116.22 1th4 n GLY 146 Ca 0.43 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.42 1th4 n GLY 146 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th4 s ASN 147 N -1.00 -0.12 0.00 1.61 -0.87 -1.13 -2.82 114.94 110.61 1th4 s ASN 147 Ca 0.00 -0.82 0.16 0.00 -1.57 0.00 0.00 52.86 50.63 1th4 s ASN 147 Cb 0.00 0.72 0.66 0.00 -0.02 0.00 0.00 41.25 42.61 1th4 s ASN 147 CO 0.00 -1.36 1.47 -0.46 -2.57 0.00 0.00 177.10 174.18 1th4 n ASN 148 N -0.66 1.19 -4.09 -1.22 6.94 -0.65 0.63 115.26 117.40 1th4 n ASN 148 Ca -0.04 -1.74 -0.16 0.00 -0.02 0.00 0.00 54.58 52.62 1th4 n ASN 148 Cb 0.60 -0.10 -0.12 0.00 -2.36 0.00 0.00 39.78 37.80 1th4 n ASN 148 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1th4 s THR 149 N -1.80 0.77 -1.95 5.53 -1.32 -1.26 -4.58 115.64 111.04 1th4 s THR 149 Ca 0.26 -0.99 0.11 0.00 -1.21 0.00 0.00 61.69 59.87 1th4 s THR 149 Cb 0.14 -0.76 0.33 0.00 -1.51 0.00 0.00 72.50 70.70 1th4 s THR 149 CO 0.20 -0.19 1.27 -0.81 -2.21 0.00 0.00 174.62 172.88 1th4 n PRO 150 N 1.74 1.90 -4.10 7.08 -0.05 -1.26 -4.56 135.00 135.75 1th4 n PRO 150 Ca -0.20 -1.35 -0.10 0.00 -0.05 0.00 0.00 63.50 61.80 1th4 n PRO 150 Cb 0.55 -1.31 -0.09 0.00 -0.05 0.00 0.00 33.50 32.60 1th4 n PRO 150 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 175.50 176.41 1th4 s ILE 151 N -1.52 0.03 0.42 0.52 -4.36 -1.26 -4.65 121.20 110.39 1th4 s ILE 151 Ca 0.25 -1.75 0.04 0.00 -0.26 0.00 0.00 60.65 58.93 1th4 s ILE 151 Cb 0.13 -2.22 -0.02 0.00 1.25 0.00 0.00 42.46 41.60 1th4 s ILE 151 CO 0.17 -0.16 0.13 0.12 0.24 0.00 0.00 174.94 175.44 1th4 s PHE 152 N -4.07 1.78 -0.77 1.37 5.36 -1.02 -4.94 117.98 115.70 1th4 s PHE 152 Ca 0.28 -1.30 0.26 0.00 -0.96 0.00 0.00 56.93 55.21 1th4 s PHE 152 Cb 0.05 -1.16 0.90 0.00 -0.34 0.00 0.00 43.02 42.47 1th4 s PHE 152 CO 0.07 -0.31 1.80 1.19 -1.46 0.00 0.00 175.22 176.50 1th4 n PHE 153 N -0.93 0.74 -3.71 10.12 3.72 -1.26 -4.43 117.46 121.71 1th4 n PHE 153 Ca -0.06 0.22 -0.14 0.00 -0.05 0.00 0.00 57.45 57.42 1th4 n PHE 153 Cb 0.65 -0.86 -0.09 0.00 -0.94 0.00 0.00 39.48 38.24 1th4 n PHE 153 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1th4 s ILE 154 N -3.10 0.02 -0.64 4.37 -4.36 -1.26 -2.59 121.20 113.64 1th4 s ILE 154 Ca 0.11 -0.16 0.01 0.00 -0.26 0.00 0.00 60.65 60.35 1th4 s ILE 154 Cb 0.13 -0.68 0.39 0.00 1.25 0.00 0.00 42.46 43.55 1th4 s ILE 154 CO 0.56 -0.09 1.58 -2.11 0.24 0.00 0.00 174.94 175.13 1th4 n ARG 155 N 2.05 3.09 -3.24 0.37 1.85 -1.26 -4.83 116.66 114.69 1th4 n ARG 155 Ca -0.17 -4.00 0.04 0.00 -1.00 0.00 0.00 57.85 52.72 1th4 n ARG 155 Cb 0.57 -2.26 -0.03 0.00 -1.05 0.00 0.00 32.46 29.69 1th4 n ARG 155 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1th4 s ASP 156 N -2.31 -0.57 0.22 2.89 -1.08 -1.26 -4.63 116.67 109.93 1th4 s ASP 156 Ca 0.50 0.52 -0.19 0.00 -0.52 0.00 0.00 52.55 52.86 1th4 s ASP 156 Cb 0.42 1.54 0.20 0.00 -1.46 0.00 0.00 42.92 43.62 1th4 s ASP 156 CO -0.29 -0.11 1.55 0.00 0.52 0.00 0.00 175.17 176.84 1th4 h ALA 157 N 7.76 0.07 -0.81 3.66 0.00 -1.76 -1.35 119.26 126.83 1th4 h ALA 157 Ca -0.15 0.25 0.30 0.00 0.00 0.00 0.00 54.91 55.31 1th4 h ALA 157 Cb 1.15 1.04 -0.15 0.00 0.00 0.00 0.00 17.79 19.83 1th4 h ALA 157 CO 0.01 -0.67 0.29 1.28 0.00 0.00 0.00 179.25 180.17 1th4 n LEU 158 N -5.45 0.15 -0.11 0.00 4.77 -1.26 0.59 117.00 115.70 1th4 n LEU 158 Ca 0.09 1.36 -0.08 0.00 -0.03 0.00 0.00 56.01 57.35 1th4 n LEU 158 Cb 0.38 -0.60 0.08 0.00 -2.33 0.00 0.00 43.42 40.94 1th4 n LEU 158 CO -0.13 -1.47 0.71 -0.07 -1.33 0.00 0.00 177.39 175.10 1th4 h LEU 159 N 0.00 0.84 -0.80 2.23 -0.00 -1.68 -3.36 115.31 112.54 1th4 h LEU 159 Ca 0.62 -0.30 0.07 0.00 -0.00 0.00 0.00 57.88 58.28 1th4 h LEU 159 Cb 1.54 -0.23 -0.10 0.00 -0.00 0.00 0.00 40.66 41.88 1th4 h LEU 159 CO -0.68 1.02 -0.47 0.33 -0.00 0.00 0.00 178.44 178.65 1th4 n PHE 160 N -4.12 -0.34 -0.35 1.13 7.35 0.20 0.60 117.46 121.92 1th4 n PHE 160 Ca 0.00 1.00 0.09 0.00 -0.76 0.00 0.00 57.45 57.78 1th4 n PHE 160 Cb 0.43 -0.57 0.27 0.00 0.35 0.00 0.00 39.48 39.95 1th4 n PHE 160 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1th4 h PRO 161 N 0.00 0.86 -0.36 -7.13 0.13 -1.73 0.50 132.00 124.27 1th4 h PRO 161 Ca 0.13 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 65.10 1th4 h PRO 161 Cb 0.33 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.25 1th4 h PRO 161 CO -0.75 0.57 -0.22 0.77 -0.23 0.00 0.00 178.00 178.13 1th4 h SER 162 N 0.88 0.72 0.42 1.44 0.02 -0.04 -1.85 113.55 115.13 1th4 h SER 162 Ca 0.52 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1th4 h SER 162 Cb 0.65 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1th4 h SER 162 CO -0.32 0.93 -0.20 0.15 -1.14 0.00 0.00 176.83 176.25 1th4 h PHE 163 N 0.62 -0.52 -0.99 3.45 3.57 0.18 -2.98 116.94 120.27 1th4 h PHE 163 Ca 0.09 -0.01 0.32 0.00 3.53 0.00 0.00 57.97 61.89 1th4 h PHE 163 Cb 0.71 0.17 -0.15 0.00 2.79 0.00 0.00 35.95 39.47 1th4 h PHE 163 CO 0.03 -0.32 0.52 0.82 -2.23 0.00 0.00 178.31 177.13 1th4 h ILE 164 N -0.90 0.28 -0.59 1.41 1.08 -0.15 0.31 117.51 118.96 1th4 h ILE 164 Ca -0.06 -0.10 -0.04 0.00 -0.39 0.00 0.00 64.86 64.27 1th4 h ILE 164 Cb 0.43 -0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.12 1th4 h ILE 164 CO 0.09 0.05 0.20 0.45 -0.69 0.00 0.00 178.15 178.26 1th4 h HIS 165 N 0.29 0.93 -0.95 1.37 3.86 -1.37 -2.59 115.15 116.69 1th4 h HIS 165 Ca 0.72 -0.08 0.17 0.00 -1.16 0.00 0.00 60.37 60.02 1th4 h HIS 165 Cb 1.63 -0.27 -0.08 0.00 1.06 0.00 0.00 27.41 29.75 1th4 h HIS 165 CO -0.04 0.76 0.60 0.66 0.86 0.00 0.00 177.93 180.77 1th4 h SER 166 N 0.82 0.67 -0.06 2.45 4.64 -0.23 -2.20 113.55 119.65 1th4 h SER 166 Ca 0.19 0.06 -0.23 0.00 -0.47 0.00 0.00 61.79 61.34 1th4 h SER 166 Cb 0.25 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 62.29 1th4 h SER 166 CO -0.01 0.29 -0.86 1.56 -0.87 0.00 0.00 176.83 176.94 1th4 h GLN 167 N 0.68 0.69 0.00 4.77 1.08 -1.34 -3.31 115.11 117.69 1th4 h GLN 167 Ca 0.50 -0.66 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 1th4 h GLN 167 Cb 0.87 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 1th4 h GLN 167 CO -0.26 1.26 0.00 1.63 -0.95 0.00 0.00 178.83 180.51 1th4 n LYS 168 N -3.96 1.68 -2.37 1.46 4.76 -0.83 -4.77 118.16 114.14 1th4 n LYS 168 Ca -0.10 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.07 1th4 n LYS 168 Cb 0.79 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 34.00 1th4 n LYS 168 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1th4 s ARG 169 N 0.00 3.12 0.09 1.97 0.52 -1.26 -4.28 118.95 119.12 1th4 s ARG 169 Ca 0.00 0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 55.05 1th4 s ARG 169 Cb 0.00 -2.26 -0.06 0.00 0.52 0.00 0.00 34.95 33.15 1th4 s ARG 169 CO 0.00 -0.60 1.16 1.21 0.02 0.00 0.00 175.30 177.09 1th4 s ASN 170 N -4.25 7.14 0.45 0.23 3.84 0.49 -4.90 114.94 117.93 1th4 s ASN 170 Ca 0.53 2.02 0.24 0.00 0.21 0.00 0.00 52.86 55.86 1th4 s ASN 170 Cb -0.11 -2.59 1.24 0.00 -0.55 0.00 0.00 41.25 39.25 1th4 s ASN 170 CO 0.46 -0.39 1.79 -0.65 -2.79 0.00 0.00 177.10 175.53 1th4 h PRO 171 N 6.31 0.26 0.00 0.43 0.11 -1.95 0.28 132.00 137.44 1th4 h PRO 171 Ca -0.42 -0.02 -0.34 0.00 0.11 0.00 0.00 66.00 65.33 1th4 h PRO 171 Cb 1.21 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1th4 h PRO 171 CO 0.78 0.17 -2.14 0.94 -0.21 0.00 0.00 178.00 177.54 1th4 n GLN 172 N -4.49 0.44 0.00 1.05 7.27 -1.26 -4.61 117.38 115.78 1th4 n GLN 172 Ca 0.24 0.18 0.13 0.00 0.07 0.00 0.00 57.00 57.63 1th4 n GLN 172 Cb 0.96 -1.26 0.44 0.00 2.41 0.00 0.00 30.24 32.80 1th4 n GLN 172 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1th4 n THR 173 N -3.79 0.00 -0.54 1.69 -2.24 -1.23 -4.93 114.28 103.24 1th4 n THR 173 Ca -0.40 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1th4 n THR 173 Cb 0.80 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 1th4 n THR 173 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1th4 n HIS 174 N -1.09 0.00 -2.91 4.78 -0.00 0.10 -4.89 115.22 111.21 1th4 n HIS 174 Ca 0.10 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 58.04 1th4 n HIS 174 Cb 0.32 -1.49 0.01 0.00 -0.12 0.00 0.00 29.99 28.71 1th4 n HIS 174 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1th4 s LEU 175 N 0.00 3.64 0.32 0.27 1.43 -1.26 -4.27 118.68 118.81 1th4 s LEU 175 Ca 0.00 0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 53.29 1th4 s LEU 175 Cb 0.00 -3.36 -0.10 0.00 0.03 0.00 0.00 46.19 42.76 1th4 s LEU 175 CO 0.00 -0.67 1.30 -0.54 0.23 0.00 0.00 176.35 176.67 1th4 s LYS 176 N -4.61 4.38 -0.13 1.70 -0.14 -1.26 -0.38 119.74 119.29 1th4 s LYS 176 Ca 0.48 2.18 -0.01 0.00 -1.36 0.00 0.00 55.97 57.26 1th4 s LYS 176 Cb -0.10 -3.09 0.03 0.00 -1.68 0.00 0.00 37.83 32.99 1th4 s LYS 176 CO 0.40 -0.17 -0.06 0.34 -0.76 0.00 0.00 175.35 175.10 1th4 s ASP 177 N -0.42 2.43 0.18 2.83 -1.08 -1.26 -4.88 116.67 114.47 1th4 s ASP 177 Ca 0.50 -0.45 -0.07 0.00 -0.52 0.00 0.00 52.55 52.00 1th4 s ASP 177 Cb -0.39 -0.83 0.08 0.00 -1.46 0.00 0.00 42.92 40.32 1th4 s ASP 177 CO 0.51 -0.16 1.57 1.55 0.52 0.00 0.00 175.17 179.16 1th4 h PRO 178 N 8.17 0.87 -0.96 4.34 0.13 -1.92 -2.27 132.00 140.37 1th4 h PRO 178 Ca -0.26 -0.38 0.23 0.00 -0.87 0.00 0.00 66.00 64.71 1th4 h PRO 178 Cb 1.12 -0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.11 1th4 h PRO 178 CO 0.39 1.03 0.52 -0.44 -0.23 0.00 0.00 178.00 179.27 1th4 h ASP 179 N 0.75 0.55 0.05 1.44 3.32 -1.96 0.95 116.42 121.52 1th4 h ASP 179 Ca 0.09 0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1th4 h ASP 179 Cb 0.81 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1th4 h ASP 179 CO 0.07 0.07 -0.03 0.24 -1.72 0.00 0.00 179.24 177.88 1th4 h MET 180 N 0.52 -0.07 0.00 3.56 2.86 -1.83 -2.43 114.93 117.54 1th4 h MET 180 Ca 0.61 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.25 1th4 h MET 180 Cb 1.14 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1th4 h MET 180 CO -0.49 0.49 0.00 0.28 1.06 0.00 0.00 176.91 178.25 1th4 n VAL 181 N -4.83 0.00 -0.27 -2.22 0.31 0.14 -1.63 118.33 109.82 1th4 n VAL 181 Ca -0.09 0.83 0.31 0.00 -0.01 0.00 0.00 64.34 65.39 1th4 n VAL 181 Cb 0.30 -1.44 0.71 0.00 -0.91 0.00 0.00 33.84 32.50 1th4 n VAL 181 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 1th4 h TRP 182 N 0.00 0.09 0.25 3.52 4.06 -1.22 -0.28 115.95 122.37 1th4 h TRP 182 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 1th4 h TRP 182 Cb 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1th4 h TRP 182 CO 0.00 0.01 -0.12 0.22 -3.56 0.00 0.00 178.44 174.99 1th4 h ASP 183 N 0.06 -0.28 0.21 -3.49 3.58 -1.08 0.72 116.42 116.13 1th4 h ASP 183 Ca 0.52 -0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.95 1th4 h ASP 183 Cb 1.98 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 43.06 1th4 h ASP 183 CO -0.04 -0.16 -0.49 0.15 -2.88 0.00 0.00 179.24 175.82 1th4 h PHE 184 N -0.38 -1.38 -0.92 0.28 3.57 -0.07 -0.46 116.94 117.56 1th4 h PHE 184 Ca -0.03 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1th4 h PHE 184 Cb 0.29 0.58 -0.06 0.00 2.79 0.00 0.00 35.95 39.55 1th4 h PHE 184 CO -0.05 -0.59 0.60 -1.49 -2.23 0.00 0.00 178.31 174.55 1th4 h TRP 185 N -0.78 1.12 -0.37 0.41 6.55 -1.41 0.24 115.95 121.71 1th4 h TRP 185 Ca -0.01 0.03 0.02 0.00 0.95 0.00 0.00 58.89 59.88 1th4 h TRP 185 Cb 0.76 -0.37 -0.03 0.00 -0.86 0.00 0.00 29.16 28.66 1th4 h TRP 185 CO -0.38 0.64 0.20 1.03 -1.05 0.00 0.00 178.44 178.88 1th4 h SER 186 N 1.15 0.31 0.86 -3.49 0.87 0.96 -0.97 113.55 113.23 1th4 h SER 186 Ca 0.37 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1th4 h SER 186 Cb 0.02 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1th4 h SER 186 CO -0.13 0.23 0.00 0.18 -0.53 0.00 0.00 176.83 176.58 1th4 n LEU 187 N -4.91 0.00 -3.75 2.23 4.77 -0.23 -4.45 117.00 110.67 1th4 n LEU 187 Ca 0.01 0.46 -0.30 0.00 -0.03 0.00 0.00 56.01 56.15 1th4 n LEU 187 Cb 0.08 -0.46 -0.15 0.00 -2.33 0.00 0.00 43.42 40.56 1th4 n LEU 187 CO 0.31 -0.03 -0.31 -0.13 -1.33 0.00 0.00 177.39 175.90 1th4 s ARG 188 N -2.91 0.89 0.45 3.23 1.81 0.04 -5.00 118.95 117.46 1th4 s ARG 188 Ca 0.16 -1.34 0.25 0.00 -1.72 0.00 0.00 55.73 53.09 1th4 s ARG 188 Cb 0.18 -2.14 0.91 0.00 -0.45 0.00 0.00 34.95 33.44 1th4 s ARG 188 CO 0.49 -1.02 1.82 -1.00 -0.68 0.00 0.00 175.30 174.90 1th4 h PRO 189 N 7.75 0.00 -0.30 3.54 0.13 -1.78 -3.26 132.00 138.08 1th4 h PRO 189 Ca -0.10 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.12 1th4 h PRO 189 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1th4 h PRO 189 CO 0.47 0.18 0.22 1.05 -0.23 0.00 0.00 178.00 179.69 1th4 h GLU 190 N 0.00 0.00 -0.45 0.86 9.09 -1.84 -0.21 114.58 122.03 1th4 h GLU 190 Ca -0.00 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.43 1th4 h GLU 190 Cb 0.76 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.84 1th4 h GLU 190 CO 0.02 0.00 0.30 0.66 0.05 0.00 0.00 179.01 180.04 1th4 h SER 191 N 0.00 0.44 -0.21 3.06 4.64 -1.54 -3.32 113.55 116.63 1th4 h SER 191 Ca 0.14 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.48 1th4 h SER 191 Cb 0.59 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 1th4 h SER 191 CO -0.00 0.31 -0.12 0.18 -0.87 0.00 0.00 176.83 176.33 1th4 n LEU 192 N -4.48 -0.22 -0.03 5.97 4.77 -0.09 0.73 117.00 123.66 1th4 n LEU 192 Ca 0.05 0.56 -0.08 0.00 -0.03 0.00 0.00 56.01 56.50 1th4 n LEU 192 Cb 0.13 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1th4 n LEU 192 CO 0.35 -0.40 0.50 -0.74 -1.33 0.00 0.00 177.39 175.77 1th4 h HIS 193 N 0.00 -0.93 0.00 -1.77 2.76 -1.77 -0.30 115.15 113.14 1th4 h HIS 193 Ca 0.03 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 1th4 h HIS 193 Cb 0.09 0.42 -0.00 0.00 1.55 0.00 0.00 27.41 29.46 1th4 h HIS 193 CO -0.39 -0.30 -0.15 0.37 -1.30 0.00 0.00 177.93 176.16 1th4 h GLN 194 N -0.30 0.00 0.00 5.26 -0.00 -1.37 -2.07 115.11 116.63 1th4 h GLN 194 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.57 1th4 h GLN 194 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.83 1th4 h GLN 194 CO -0.27 0.15 -0.50 0.28 0.00 0.00 0.00 178.83 178.48 1th4 h VAL 195 N 0.00 1.28 0.02 2.39 2.07 0.11 -1.67 116.25 120.44 1th4 h VAL 195 Ca -0.00 -1.77 -0.00 0.00 0.82 0.00 0.00 66.70 65.74 1th4 h VAL 195 Cb 0.29 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1th4 h VAL 195 CO 0.02 0.49 -0.01 0.28 0.02 0.00 0.00 177.57 178.37 1th4 h SER 196 N 0.00 -0.02 -0.69 0.57 0.02 -0.40 -2.99 113.55 110.05 1th4 h SER 196 Ca -0.01 -0.66 0.12 0.00 -0.84 0.00 0.00 61.79 60.41 1th4 h SER 196 Cb 0.94 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.39 1th4 h SER 196 CO 0.07 0.66 0.24 0.15 -1.14 0.00 0.00 176.83 176.81 1th4 h PHE 197 N -0.72 0.41 0.11 3.45 3.04 -1.38 -0.88 116.94 120.97 1th4 h PHE 197 Ca -0.00 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 1th4 h PHE 197 Cb 0.68 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 1th4 h PHE 197 CO 0.16 0.05 -0.18 1.25 -2.02 0.00 0.00 178.31 177.57 1th4 h LEU 198 N 0.39 -0.52 -0.33 0.59 5.85 -1.30 -1.57 115.31 118.42 1th4 h LEU 198 Ca 0.37 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1th4 h LEU 198 Cb 0.53 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1th4 h LEU 198 CO -0.38 -0.21 0.00 0.49 -0.34 0.00 0.00 178.44 178.00 1th4 n PHE 199 N -3.45 0.17 -0.17 1.25 3.01 -1.05 -1.96 117.46 115.25 1th4 n PHE 199 Ca -0.04 0.09 -0.12 0.00 1.01 0.00 0.00 57.45 58.39 1th4 n PHE 199 Cb 0.15 -0.64 0.11 0.00 -0.01 0.00 0.00 39.48 39.10 1th4 n PHE 199 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1th4 n SER 200 N -1.67 -2.68 0.28 4.37 3.41 -0.36 -4.48 113.62 112.49 1th4 n SER 200 Ca -0.00 -0.40 0.19 0.00 -0.26 0.00 0.00 58.87 58.39 1th4 n SER 200 Cb 0.01 -0.39 0.86 0.00 -0.26 0.00 0.00 64.21 64.43 1th4 n SER 200 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1th4 h ASP 201 N -2.53 0.00 0.39 4.04 5.19 -1.82 -2.25 116.42 119.44 1th4 h ASP 201 Ca -0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 1th4 h ASP 201 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1th4 h ASP 201 CO 0.10 0.00 0.00 0.54 -3.12 0.00 0.00 179.24 176.76 1th4 n ARG 202 N -2.98 0.60 0.13 3.56 5.12 -1.26 -3.98 116.66 117.85 1th4 n ARG 202 Ca -0.01 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.01 1th4 n ARG 202 Cb 0.20 -1.50 0.58 0.00 -1.16 0.00 0.00 32.46 30.59 1th4 n ARG 202 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1th4 h GLY 203 N 4.92 0.19 -6.58 -0.13 0.00 -0.75 -3.34 103.07 97.37 1th4 h GLY 203 Ca 0.00 -0.06 -0.59 0.00 0.00 0.00 0.00 47.33 46.67 1th4 h GLY 203 CO 0.00 0.06 -0.87 -0.42 0.00 0.00 0.00 176.54 175.31 1th4 s ILE 204 N -5.19 0.61 0.28 2.60 1.01 -1.26 -2.78 121.20 116.47 1th4 s ILE 204 Ca -0.06 -2.44 -0.29 0.00 0.00 0.00 0.00 60.65 57.85 1th4 s ILE 204 Cb 0.18 -1.43 -0.10 0.00 0.01 0.00 0.00 42.46 41.11 1th4 s ILE 204 CO 0.70 -1.09 1.34 -2.84 0.00 0.00 0.00 174.94 173.05 1th4 s PRO 205 N 0.33 4.35 -0.38 2.79 0.02 -1.26 0.56 135.00 141.41 1th4 s PRO 205 Ca 0.25 2.19 -0.29 0.00 0.02 0.00 0.00 61.00 63.18 1th4 s PRO 205 Cb -0.10 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 31.33 1th4 s PRO 205 CO -0.10 -0.25 1.08 0.34 -0.33 0.00 0.00 177.00 177.74 1th4 s ASP 206 N -0.09 6.79 0.33 2.53 2.15 0.82 -4.63 116.67 124.57 1th4 s ASP 206 Ca 0.53 0.77 0.00 0.00 0.43 0.00 0.00 52.55 54.28 1th4 s ASP 206 Cb -0.39 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.69 1th4 s ASP 206 CO 0.47 -1.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.06 1th4 n GLY 207 N 4.30 -3.01 0.21 2.66 0.00 -1.26 -3.54 105.19 104.55 1th4 n GLY 207 Ca 0.11 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 45.02 1th4 n GLY 207 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1th4 h HIS 208 N -0.75 0.00 0.00 1.61 3.86 -1.86 -3.26 115.15 114.75 1th4 h HIS 208 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1th4 h HIS 208 Cb 0.73 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1th4 h HIS 208 CO 0.02 0.00 -0.04 0.00 0.86 0.00 0.00 177.93 178.78 1th4 h ARG 209 N 0.00 0.00 -0.96 2.45 3.08 -1.98 -3.34 114.38 113.63 1th4 h ARG 209 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1th4 h ARG 209 Cb 0.92 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.67 1th4 h ARG 209 CO 0.00 0.00 0.70 0.72 -1.07 0.00 0.00 179.97 180.32 1th4 n HIS 210 N -2.85 3.12 -4.39 3.04 8.25 -1.23 -4.54 115.22 116.63 1th4 n HIS 210 Ca 0.04 -2.74 -0.22 0.00 -0.26 0.00 0.00 57.72 54.55 1th4 n HIS 210 Cb 0.50 -1.27 -0.08 0.00 1.12 0.00 0.00 29.99 30.26 1th4 n HIS 210 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1th4 s MET 211 N -3.71 1.81 0.42 -0.41 0.23 -1.25 -1.53 119.30 114.86 1th4 s MET 211 Ca 0.62 -2.08 0.03 0.00 -1.03 0.00 0.00 55.69 53.24 1th4 s MET 211 Cb 0.50 -0.11 0.03 0.00 -1.53 0.00 0.00 34.83 33.72 1th4 s MET 211 CO 0.01 -0.56 0.26 -0.25 -2.03 0.00 0.00 175.02 172.46 1th4 n ASP 212 N -1.38 2.48 -4.04 -1.18 8.00 -1.26 -3.90 116.55 115.27 1th4 n ASP 212 Ca 0.01 -2.50 -0.19 0.00 0.71 0.00 0.00 54.79 52.82 1th4 n ASP 212 Cb 0.64 0.02 -0.14 0.00 -0.02 0.00 0.00 41.12 41.61 1th4 n ASP 212 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1th4 s GLY 213 N -3.53 0.48 -0.20 0.44 0.00 0.46 -4.11 107.32 100.86 1th4 s GLY 213 Ca 0.20 -0.45 -0.04 0.00 0.00 0.00 0.00 44.72 44.42 1th4 s GLY 213 CO 0.13 -0.40 0.09 -0.19 0.00 0.00 0.00 173.10 172.73 1th4 s TYR 214 N -0.33 0.35 0.23 1.90 2.02 0.20 -1.13 117.35 120.59 1th4 s TYR 214 Ca 0.03 -0.53 0.04 0.00 -0.37 0.00 0.00 57.07 56.24 1th4 s TYR 214 Cb -0.04 -0.80 0.21 0.00 -0.40 0.00 0.00 41.96 40.93 1th4 s TYR 214 CO -0.00 -0.60 0.91 0.41 -1.57 0.00 0.00 175.55 174.70 1th4 n GLY 215 N 5.24 -0.35 5.05 0.71 0.00 -0.84 -2.84 105.19 112.15 1th4 n GLY 215 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1th4 n GLY 215 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1th4 n SER 216 N -1.82 0.00 -3.33 1.61 2.88 -1.26 -4.73 113.62 106.97 1th4 n SER 216 Ca -0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.25 1th4 n SER 216 Cb 0.62 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.35 1th4 n SER 216 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1th4 n HIS 217 N 0.00 -3.50 -4.21 0.66 8.25 -1.26 -4.80 115.22 110.36 1th4 n HIS 217 Ca 0.00 -0.67 -0.32 0.00 -0.26 0.00 0.00 57.72 56.47 1th4 n HIS 217 Cb 0.00 -1.36 -0.08 0.00 1.12 0.00 0.00 29.99 29.67 1th4 n HIS 217 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1th4 s THR 218 N -2.11 4.28 0.11 1.59 2.01 -1.26 -4.56 115.64 115.69 1th4 s THR 218 Ca 0.62 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1th4 s THR 218 Cb -0.12 -2.94 -0.00 0.00 0.01 0.00 0.00 72.50 69.45 1th4 s THR 218 CO 0.53 0.32 0.03 0.49 -0.69 0.00 0.00 174.62 175.31 1th4 n PHE 219 N 1.19 0.05 -4.28 4.92 3.01 -0.07 -4.03 117.46 118.26 1th4 n PHE 219 Ca -0.13 -0.66 -0.20 0.00 1.01 0.00 0.00 57.45 57.47 1th4 n PHE 219 Cb 0.52 -0.01 -0.11 0.00 -0.01 0.00 0.00 39.48 39.88 1th4 n PHE 219 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1th4 s LYS 220 N -2.40 1.13 0.02 -1.08 2.20 0.17 -1.63 119.74 118.15 1th4 s LYS 220 Ca 0.05 -1.31 0.04 0.00 -0.36 0.00 0.00 55.97 54.38 1th4 s LYS 220 Cb 0.00 -1.08 -0.02 0.00 -1.51 0.00 0.00 37.83 35.22 1th4 s LYS 220 CO 0.03 0.21 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.62 1th4 s LEU 221 N -2.55 2.12 -0.04 5.43 1.43 0.15 -1.99 118.68 123.24 1th4 s LEU 221 Ca 0.12 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1th4 s LEU 221 Cb -0.05 -0.47 0.03 0.00 0.03 0.00 0.00 46.19 45.72 1th4 s LEU 221 CO 0.04 0.02 -0.01 -0.69 0.23 0.00 0.00 176.35 175.94 1th4 s VAL 222 N -0.68 0.30 0.44 -1.59 1.01 -0.10 -1.78 120.40 117.98 1th4 s VAL 222 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1th4 s VAL 222 Cb -0.06 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1th4 s VAL 222 CO 0.00 0.18 0.62 0.54 0.00 0.00 0.00 175.10 176.45 1th4 s ASN 223 N 1.07 5.71 0.57 3.32 2.20 -0.98 -1.20 114.94 125.63 1th4 s ASN 223 Ca -0.09 -0.04 0.32 0.00 -0.94 0.00 0.00 52.86 52.11 1th4 s ASN 223 Cb -0.14 -1.13 1.43 0.00 -2.00 0.00 0.00 41.25 39.41 1th4 s ASN 223 CO -0.01 -0.74 1.77 0.00 -2.94 0.00 0.00 177.10 175.17 1th4 h ALA 224 N 0.50 2.71 -0.01 3.54 0.00 -1.89 0.93 119.26 125.04 1th4 h ALA 224 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1th4 h ALA 224 Cb 1.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1th4 h ALA 224 CO 0.53 -1.19 -0.12 -0.25 0.00 0.00 0.00 179.25 178.21 1th4 n ASP 225 N -3.85 0.77 0.00 0.00 8.00 -1.26 -4.94 116.55 115.27 1th4 n ASP 225 Ca 0.18 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.83 1th4 n ASP 225 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 1th4 n ASP 225 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1th4 n GLY 226 N 1.26 1.21 3.77 0.44 0.00 0.32 -5.05 105.19 107.14 1th4 n GLY 226 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1th4 n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1th4 s GLU 227 N -0.60 4.35 0.30 1.61 2.02 -1.26 -4.69 118.70 120.44 1th4 s GLU 227 Ca 0.00 2.22 0.11 0.00 0.02 0.00 0.00 54.97 57.31 1th4 s GLU 227 Cb 0.00 -3.07 -0.05 0.00 0.10 0.00 0.00 34.13 31.10 1th4 s GLU 227 CO 0.00 -0.20 -0.13 0.00 0.02 0.00 0.00 175.26 174.96 1th4 s ALA 228 N -1.07 2.90 0.24 5.21 0.00 -1.26 -2.32 121.76 125.46 1th4 s ALA 228 Ca 0.49 -1.93 -0.22 0.00 0.00 0.00 0.00 51.96 50.31 1th4 s ALA 228 Cb -0.40 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.49 1th4 s ALA 228 CO 0.52 0.20 0.72 0.14 0.00 0.00 0.00 175.76 177.34 1th4 s VAL 229 N -2.52 0.00 0.18 0.00 -7.23 -0.74 -4.71 120.40 105.39 1th4 s VAL 229 Ca 0.31 -0.73 0.05 0.00 -1.81 0.00 0.00 61.98 59.81 1th4 s VAL 229 Cb -0.03 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1th4 s VAL 229 CO 0.16 0.00 0.18 -0.31 -0.31 0.00 0.00 175.10 174.82 1th4 s TYR 230 N -3.81 3.20 0.16 2.82 2.02 0.40 0.31 117.35 122.45 1th4 s TYR 230 Ca 0.09 -0.02 -0.16 0.00 -0.37 0.00 0.00 57.07 56.61 1th4 s TYR 230 Cb -0.04 -1.51 0.03 0.00 -0.40 0.00 0.00 41.96 40.03 1th4 s TYR 230 CO 0.02 0.52 0.43 0.00 -1.57 0.00 0.00 175.55 174.95 1th4 s LYS 232 N -3.86 2.77 -0.04 0.00 -0.14 -0.24 -0.89 119.74 117.35 1th4 s LYS 232 Ca 0.07 -0.83 -0.10 0.00 -1.36 0.00 0.00 55.97 53.75 1th4 s LYS 232 Cb 0.01 -2.30 -0.05 0.00 -1.68 0.00 0.00 37.83 33.81 1th4 s LYS 232 CO -0.07 0.35 0.29 -0.06 -0.76 0.00 0.00 175.35 175.11 1th4 s PHE 233 N -0.07 3.65 -0.11 3.18 0.08 -1.26 -0.29 117.98 123.15 1th4 s PHE 233 Ca -0.05 0.75 -0.05 0.00 0.12 0.00 0.00 56.93 57.69 1th4 s PHE 233 Cb -0.14 -2.11 0.05 0.00 -0.57 0.00 0.00 43.02 40.25 1th4 s PHE 233 CO 0.04 0.67 0.25 -1.01 -0.10 0.00 0.00 175.22 175.07 1th4 s HIS 234 N -1.11 -0.35 -0.35 0.36 3.76 -0.35 -1.99 115.29 115.25 1th4 s HIS 234 Ca 0.22 0.84 0.01 0.00 -0.15 0.00 0.00 55.06 55.97 1th4 s HIS 234 Cb -0.14 0.02 0.11 0.00 1.11 0.00 0.00 32.58 33.67 1th4 s HIS 234 CO 0.11 -0.27 0.12 1.52 -0.85 0.00 0.00 174.74 175.37 1th4 s TYR 235 N 1.62 2.29 0.23 1.40 1.13 -0.28 0.25 117.35 123.98 1th4 s TYR 235 Ca -0.06 -2.23 -0.29 0.00 -1.41 0.00 0.00 57.07 53.07 1th4 s TYR 235 Cb -0.11 -2.07 -0.09 0.00 -1.10 0.00 0.00 41.96 38.59 1th4 s TYR 235 CO -0.08 -0.87 0.92 0.15 -2.51 0.00 0.00 175.55 173.16 1th4 s LYS 236 N 1.10 4.82 0.40 -3.49 1.02 0.95 -0.40 119.74 124.14 1th4 s LYS 236 Ca 0.12 1.45 -0.26 0.00 0.02 0.00 0.00 55.97 57.29 1th4 s LYS 236 Cb -0.20 -3.28 -0.09 0.00 -0.52 0.00 0.00 37.83 33.74 1th4 s LYS 236 CO -0.15 0.52 1.36 -0.08 -0.92 0.00 0.00 175.35 176.08 1th4 s THR 237 N -1.13 2.41 -0.13 2.17 -1.32 -1.25 0.14 115.64 116.52 1th4 s THR 237 Ca 0.41 0.38 0.03 0.00 -1.21 0.00 0.00 61.69 61.29 1th4 s THR 237 Cb -0.26 -3.23 -0.24 0.00 -1.51 0.00 0.00 72.50 67.27 1th4 s THR 237 CO 0.31 0.06 0.31 0.47 -2.21 0.00 0.00 174.62 173.56 1th4 n ASP 238 N 0.17 1.55 0.00 8.08 8.00 0.17 -3.91 116.55 130.60 1th4 n ASP 238 Ca 0.03 0.18 0.06 0.00 0.71 0.00 0.00 54.79 55.77 1th4 n ASP 238 Cb 0.42 -0.38 0.33 0.00 -0.02 0.00 0.00 41.12 41.48 1th4 n ASP 238 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th4 n GLN 239 N -3.25 0.44 -0.38 -1.24 0.00 -1.26 -4.94 117.38 106.74 1th4 n GLN 239 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.69 1th4 n GLN 239 Cb 1.05 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 29.89 1th4 n GLN 239 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1th4 n GLY 240 N -0.11 -3.26 3.69 2.61 0.00 -1.25 -4.90 105.19 101.96 1th4 n GLY 240 Ca 0.08 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1th4 n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th4 s ILE 241 N -3.22 3.18 -0.24 -0.61 1.01 -1.26 -4.41 121.20 115.64 1th4 s ILE 241 Ca 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 60.65 61.20 1th4 s ILE 241 Cb 0.00 -3.37 0.10 0.00 0.01 0.00 0.00 42.46 39.20 1th4 s ILE 241 CO 0.00 -0.01 0.20 -0.75 0.00 0.00 0.00 174.94 174.39 1th4 s LYS 242 N 2.76 0.21 0.38 2.79 2.20 -0.58 -5.02 119.74 122.48 1th4 s LYS 242 Ca 0.73 -0.09 -0.01 0.00 -0.36 0.00 0.00 55.97 56.24 1th4 s LYS 242 Cb -0.38 -1.14 -0.03 0.00 -1.51 0.00 0.00 37.83 34.77 1th4 s LYS 242 CO 0.31 -0.84 0.60 -0.80 -0.36 0.00 0.00 175.35 174.27 1th4 s ASN 243 N 2.26 6.28 -0.06 1.43 0.02 -1.26 -0.13 114.94 123.48 1th4 s ASN 243 Ca 0.07 0.56 -0.05 0.00 -1.02 0.00 0.00 52.86 52.42 1th4 s ASN 243 Cb -0.15 -2.08 -0.04 0.00 0.02 0.00 0.00 41.25 39.00 1th4 s ASN 243 CO -0.23 -0.36 0.18 -0.76 0.02 0.00 0.00 177.10 175.95 1th4 s LEU 244 N -4.42 4.38 0.00 0.60 1.43 0.19 -4.56 118.68 116.31 1th4 s LEU 244 Ca 0.42 0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.85 1th4 s LEU 244 Cb -0.10 -2.37 0.17 0.00 0.03 0.00 0.00 46.19 43.92 1th4 s LEU 244 CO 0.38 0.33 0.46 -1.54 0.23 0.00 0.00 176.35 176.21 1th4 n SER 245 N 1.47 -2.41 0.04 2.29 3.41 -1.26 -4.64 113.62 112.50 1th4 n SER 245 Ca -0.15 -0.59 -0.21 0.00 -0.26 0.00 0.00 58.87 57.66 1th4 n SER 245 Cb 0.54 -0.48 -0.14 0.00 -0.26 0.00 0.00 64.21 63.87 1th4 n SER 245 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1th4 h VAL 246 N -2.50 0.78 0.04 -3.33 2.07 -1.99 -3.04 116.25 108.29 1th4 h VAL 246 Ca -0.19 -2.44 -0.27 0.00 0.82 0.00 0.00 66.70 64.61 1th4 h VAL 246 Cb 0.62 2.62 0.02 0.00 -1.52 0.00 0.00 31.29 33.04 1th4 h VAL 246 CO 0.12 0.87 -1.10 1.05 0.02 0.00 0.00 177.57 178.53 1th4 h GLU 247 N 0.09 0.66 0.28 1.57 4.11 -1.98 -2.81 114.58 116.50 1th4 h GLU 247 Ca -0.38 -0.76 -0.01 0.00 0.07 0.00 0.00 59.36 58.28 1th4 h GLU 247 Cb 2.06 0.23 0.00 0.00 0.50 0.00 0.00 28.75 31.54 1th4 h GLU 247 CO 0.13 1.33 -0.14 -0.44 0.07 0.00 0.00 179.01 179.96 1th4 h ASP 248 N 0.35 -0.33 -0.52 3.06 5.19 -1.95 -1.87 116.42 120.34 1th4 h ASP 248 Ca -0.14 0.01 0.10 0.00 -0.62 0.00 0.00 57.03 56.38 1th4 h ASP 248 Cb 1.76 0.09 -0.10 0.00 0.18 0.00 0.00 39.33 41.25 1th4 h ASP 248 CO 0.21 -0.24 -0.19 0.00 -3.12 0.00 0.00 179.24 175.90 1th4 h ALA 249 N 0.33 0.22 0.00 3.45 0.00 -1.58 0.48 119.26 122.16 1th4 h ALA 249 Ca -0.04 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1th4 h ALA 249 Cb 0.30 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1th4 h ALA 249 CO 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 178.80 1th4 n ALA 250 N -2.98 1.85 -0.11 0.00 0.00 -1.05 -1.27 120.51 116.95 1th4 n ALA 250 Ca 0.05 -0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 1th4 n ALA 250 Cb 0.31 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 1th4 n ALA 250 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1th4 n ARG 251 N -1.28 0.57 0.28 0.00 0.63 0.16 -3.92 116.66 113.10 1th4 n ARG 251 Ca 0.07 0.50 0.17 0.00 -0.92 0.00 0.00 57.85 57.67 1th4 n ARG 251 Cb 0.12 -1.69 0.77 0.00 0.45 0.00 0.00 32.46 32.11 1th4 n ARG 251 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1th4 h LEU 252 N -0.99 0.00 -1.51 6.15 3.38 -1.23 -0.04 115.31 121.07 1th4 h LEU 252 Ca -0.43 0.00 0.22 0.00 0.09 0.00 0.00 57.88 57.76 1th4 h LEU 252 Cb 1.39 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.07 1th4 h LEU 252 CO -0.26 0.05 0.62 0.00 0.09 0.00 0.00 178.44 178.94 1th4 h ALA 253 N 1.95 2.26 0.00 1.53 0.00 -1.30 0.52 119.26 124.22 1th4 h ALA 253 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1th4 h ALA 253 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1th4 h ALA 253 CO 0.01 -0.57 -0.94 -2.39 0.00 0.00 0.00 179.25 175.36 1th4 n HIS 254 N -4.51 0.00 -0.01 0.00 1.44 -0.95 -3.91 115.22 107.28 1th4 n HIS 254 Ca 0.21 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.74 1th4 n HIS 254 Cb 0.76 -0.02 -0.09 0.00 0.12 0.00 0.00 29.99 30.76 1th4 n HIS 254 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1th4 h GLU 255 N 0.00 0.60 -1.58 -1.40 5.08 -0.75 -3.41 114.58 113.12 1th4 h GLU 255 Ca 0.00 -0.55 -0.32 0.00 -1.00 0.00 0.00 59.36 57.49 1th4 h GLU 255 Cb 0.04 0.13 -0.26 0.00 0.50 0.00 0.00 28.75 29.17 1th4 h GLU 255 CO 0.00 1.17 -0.68 0.34 -1.00 0.00 0.00 179.01 178.84 1th4 s ASP 256 N -6.92 -0.17 0.28 1.42 -1.08 0.18 -4.99 116.67 105.39 1th4 s ASP 256 Ca -0.12 -2.13 0.21 0.00 -0.52 0.00 0.00 52.55 49.99 1th4 s ASP 256 Cb 0.06 0.94 1.06 0.00 -1.46 0.00 0.00 42.92 43.52 1th4 s ASP 256 CO 0.86 -0.12 1.65 -0.81 0.52 0.00 0.00 175.17 177.27 1th4 n PRO 257 N 3.13 0.15 -1.08 4.34 -0.04 -0.99 -1.73 135.00 138.78 1th4 n PRO 257 Ca 0.21 0.56 -0.16 0.00 -0.04 0.00 0.00 63.50 64.07 1th4 n PRO 257 Cb 0.52 -1.91 0.18 0.00 -0.04 0.00 0.00 33.50 32.25 1th4 n PRO 257 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1th4 n ASP 258 N -2.21 3.49 -0.27 3.54 8.00 -1.26 0.23 116.55 128.07 1th4 n ASP 258 Ca -0.00 -3.71 0.07 0.00 0.71 0.00 0.00 54.79 51.85 1th4 n ASP 258 Cb 0.10 -0.74 0.22 0.00 -0.02 0.00 0.00 41.12 40.67 1th4 n ASP 258 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1th4 h TYR 259 N 1.11 0.54 0.11 1.24 3.20 -1.66 -2.35 116.97 119.17 1th4 h TYR 259 Ca 0.44 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.35 1th4 h TYR 259 Cb 2.14 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 40.29 1th4 h TYR 259 CO 1.32 0.04 -0.09 0.78 -1.64 0.00 0.00 178.16 178.56 1th4 h GLY 260 N 0.44 -0.69 -0.15 1.82 0.00 -1.87 -1.35 103.07 101.26 1th4 h GLY 260 Ca 0.45 0.30 0.01 0.00 0.00 0.00 0.00 47.33 48.09 1th4 h GLY 260 CO -0.44 -0.25 -0.09 1.04 0.00 0.00 0.00 176.54 176.81 1th4 n LEU 261 N -2.82 -0.16 -0.02 3.11 7.99 -1.05 -1.04 117.00 123.01 1th4 n LEU 261 Ca -0.02 1.08 -0.02 0.00 -0.01 0.00 0.00 56.01 57.04 1th4 n LEU 261 Cb 0.09 -0.44 -0.01 0.00 -0.11 0.00 0.00 43.42 42.95 1th4 n LEU 261 CO 0.05 -0.63 0.50 -0.09 -1.51 0.00 0.00 177.39 175.72 1th4 h ARG 262 N 0.00 -0.04 -0.78 3.23 9.65 -1.48 0.28 114.38 125.24 1th4 h ARG 262 Ca 0.02 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.98 1th4 h ARG 262 Cb 0.06 0.01 -0.09 0.00 -1.39 0.00 0.00 29.97 28.56 1th4 h ARG 262 CO -0.14 -0.03 -0.46 -3.47 2.80 0.00 0.00 179.97 178.67 1th4 n ASP 263 N -3.04 -0.82 -0.26 -3.80 -0.08 -0.51 -0.62 116.55 107.42 1th4 n ASP 263 Ca -0.00 1.52 -0.05 0.00 -1.51 0.00 0.00 54.79 54.75 1th4 n ASP 263 Cb 0.04 -0.25 0.06 0.00 2.34 0.00 0.00 41.12 43.31 1th4 n ASP 263 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1th4 h LEU 264 N 0.00 0.86 -0.17 -2.67 5.85 -0.80 -2.70 115.31 115.68 1th4 h LEU 264 Ca 0.12 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1th4 h LEU 264 Cb 0.32 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1th4 h LEU 264 CO -0.73 0.64 0.11 0.15 -0.34 0.00 0.00 178.44 178.27 1th4 h PHE 265 N 0.99 0.22 -0.93 1.25 3.04 0.17 -3.02 116.94 118.66 1th4 h PHE 265 Ca 0.27 0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.26 1th4 h PHE 265 Cb -0.08 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.30 1th4 h PHE 265 CO -0.02 0.16 0.60 -0.91 -2.02 0.00 0.00 178.31 176.12 1th4 h ASN 266 N 0.21 0.99 0.01 0.41 2.35 -0.71 -0.87 115.58 117.97 1th4 h ASN 266 Ca 0.06 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1th4 h ASN 266 Cb -0.00 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 1th4 h ASN 266 CO -0.01 0.67 -0.02 0.00 -1.65 0.00 0.00 177.43 176.42 1th4 h ALA 267 N 1.39 -0.59 -0.83 -0.83 0.00 -1.36 -1.02 119.26 116.02 1th4 h ALA 267 Ca 0.38 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 55.52 1th4 h ALA 267 Cb 0.03 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1th4 h ALA 267 CO -0.13 -0.59 0.59 0.82 0.00 0.00 0.00 179.25 179.94 1th4 h ILE 268 N -0.02 0.60 0.00 0.00 2.04 -1.50 0.17 117.51 118.79 1th4 h ILE 268 Ca -0.00 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1th4 h ILE 268 Cb 0.02 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1th4 h ILE 268 CO -0.01 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.15 1th4 h ALA 269 N 1.59 1.00 -0.04 1.87 0.00 0.11 -3.16 119.26 120.63 1th4 h ALA 269 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1th4 h ALA 269 Cb 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1th4 h ALA 269 CO -0.03 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.47 1th4 n THR 270 N -2.86 0.95 0.00 0.00 -2.24 0.52 -4.97 114.28 105.68 1th4 n THR 270 Ca 0.00 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 1th4 n THR 270 Cb 0.25 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1th4 n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1th4 n GLY 271 N -0.34 0.57 1.56 3.38 0.00 -1.10 -4.95 105.19 104.31 1th4 n GLY 271 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1th4 n GLY 271 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1th4 n ASN 272 N 0.00 4.95 -4.68 1.61 2.85 -0.83 -4.94 115.26 114.22 1th4 n ASN 272 Ca 0.00 -2.31 -0.59 0.00 -0.11 0.00 0.00 54.58 51.57 1th4 n ASN 272 Cb 0.00 -1.06 -0.08 0.00 1.24 0.00 0.00 39.78 39.88 1th4 n ASN 272 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1th4 n TYR 273 N 1.59 1.77 -1.84 1.20 4.01 -1.26 -4.44 117.16 118.19 1th4 n TYR 273 Ca 0.02 0.72 -0.30 0.00 -0.16 0.00 0.00 57.90 58.18 1th4 n TYR 273 Cb 0.49 -2.36 0.04 0.00 -0.31 0.00 0.00 39.34 37.20 1th4 n TYR 273 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1th4 s PRO 274 N 2.54 3.01 0.04 -0.72 0.04 -1.26 -4.89 135.00 133.76 1th4 s PRO 274 Ca 0.96 0.57 -0.16 0.00 0.04 0.00 0.00 61.00 62.42 1th4 s PRO 274 Cb -1.15 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 31.39 1th4 s PRO 274 CO 0.64 -0.95 0.36 -1.54 0.04 0.00 0.00 177.00 175.55 1th4 s SER 275 N -4.25 -0.20 0.06 6.66 1.04 -1.26 -2.64 113.70 113.10 1th4 s SER 275 Ca 0.57 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.96 1th4 s SER 275 Cb -0.11 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 1th4 s SER 275 CO 0.53 -0.63 -0.12 0.26 0.98 0.00 0.00 173.24 174.25 1th4 s TRP 276 N -2.47 1.02 -0.20 5.02 0.51 0.34 -0.66 118.94 122.49 1th4 s TRP 276 Ca -0.05 -0.48 -0.08 0.00 -2.12 0.00 0.00 56.10 53.37 1th4 s TRP 276 Cb -0.01 -0.58 -0.04 0.00 -0.81 0.00 0.00 33.47 32.03 1th4 s TRP 276 CO -0.03 0.01 0.08 0.99 -0.51 0.00 0.00 176.95 177.49 1th4 s THR 277 N -1.32 4.75 -0.25 2.01 2.01 0.12 -0.22 115.64 122.74 1th4 s THR 277 Ca -0.05 -0.04 -0.16 0.00 0.31 0.00 0.00 61.69 61.75 1th4 s THR 277 Cb -0.10 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 1th4 s THR 277 CO 0.02 0.42 0.44 -0.22 -0.69 0.00 0.00 174.62 174.58 1th4 s LEU 278 N 0.75 4.08 0.40 4.42 2.96 0.81 -0.03 118.68 132.06 1th4 s LEU 278 Ca 0.04 0.44 0.07 0.00 -0.22 0.00 0.00 54.13 54.47 1th4 s LEU 278 Cb -0.13 -2.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.94 1th4 s LEU 278 CO 0.02 -0.19 0.00 -0.31 -1.32 0.00 0.00 176.35 174.55 1th4 s TYR 279 N 1.94 2.51 -0.06 5.38 2.02 0.70 -0.34 117.35 129.50 1th4 s TYR 279 Ca 0.19 -0.63 -0.05 0.00 -0.37 0.00 0.00 57.07 56.21 1th4 s TYR 279 Cb -0.15 -1.72 0.02 0.00 -0.40 0.00 0.00 41.96 39.71 1th4 s TYR 279 CO 0.09 0.46 0.15 0.96 -1.57 0.00 0.00 175.55 175.64 1th4 s ILE 280 N -2.68 -0.01 -0.04 2.71 -4.36 0.40 -1.21 121.20 116.01 1th4 s ILE 280 Ca 0.35 0.04 -0.04 0.00 -0.26 0.00 0.00 60.65 60.73 1th4 s ILE 280 Cb 0.08 -0.22 -0.04 0.00 1.25 0.00 0.00 42.46 43.53 1th4 s ILE 280 CO 0.18 0.01 0.17 -1.10 0.24 0.00 0.00 174.94 174.45 1th4 s GLN 281 N 0.31 3.45 0.02 0.37 -0.21 0.60 -0.84 119.66 123.36 1th4 s GLN 281 Ca -0.02 -0.24 0.08 0.00 0.02 0.00 0.00 55.36 55.20 1th4 s GLN 281 Cb -0.03 -3.13 -0.02 0.00 1.00 0.00 0.00 33.01 30.83 1th4 s GLN 281 CO -0.01 0.71 -0.23 0.08 -2.12 0.00 0.00 175.29 173.72 1th4 s VAL 282 N -1.23 1.84 -0.09 1.09 1.01 -1.26 -1.08 120.40 120.69 1th4 s VAL 282 Ca 0.23 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 1th4 s VAL 282 Cb -0.12 -1.56 0.05 0.00 0.00 0.00 0.00 36.38 34.74 1th4 s VAL 282 CO 0.14 0.37 0.20 -0.32 0.00 0.00 0.00 175.10 175.49 1th4 s MET 283 N -0.93 0.11 0.35 2.72 0.00 0.11 -4.89 119.30 116.77 1th4 s MET 283 Ca 0.09 0.54 -0.14 0.00 0.00 0.00 0.00 55.69 56.18 1th4 s MET 283 Cb -0.09 -0.16 -0.08 0.00 0.00 0.00 0.00 34.83 34.49 1th4 s MET 283 CO 0.01 -0.23 0.75 0.95 0.00 0.00 0.00 175.02 176.50 1th4 s THR 284 N 1.75 4.70 0.26 10.11 -4.23 -1.26 -0.45 115.64 126.52 1th4 s THR 284 Ca -0.04 0.87 -0.08 0.00 -1.18 0.00 0.00 61.69 61.26 1th4 s THR 284 Cb -0.11 -3.64 0.36 0.00 1.34 0.00 0.00 72.50 70.45 1th4 s THR 284 CO -0.07 -0.28 1.59 -0.26 -0.54 0.00 0.00 174.62 175.06 1th4 h PHE 285 N 1.97 -0.34 -0.17 3.99 -1.00 -1.96 1.29 116.94 120.73 1th4 h PHE 285 Ca -0.48 0.07 0.02 0.00 2.81 0.00 0.00 57.97 60.40 1th4 h PHE 285 Cb 1.18 0.28 -0.04 0.00 3.61 0.00 0.00 35.95 40.98 1th4 h PHE 285 CO 0.61 -0.36 -0.31 0.77 -1.61 0.00 0.00 178.31 177.42 1th4 h SER 286 N 0.02 -1.02 -0.92 2.17 0.02 -1.98 0.43 113.55 112.27 1th4 h SER 286 Ca 0.44 0.13 0.18 0.00 -0.84 0.00 0.00 61.79 61.69 1th4 h SER 286 Cb 0.72 0.41 -0.08 0.00 0.14 0.00 0.00 62.40 63.59 1th4 h SER 286 CO -0.85 -0.24 0.59 -0.33 -1.14 0.00 0.00 176.83 174.86 1th4 h GLU 287 N -0.26 0.58 0.00 3.45 5.08 -0.83 1.35 114.58 123.94 1th4 h GLU 287 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1th4 h GLU 287 Cb 0.35 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1th4 h GLU 287 CO -0.30 0.39 0.00 0.00 -1.00 0.00 0.00 179.01 178.09 1th4 h ALA 288 N 1.61 1.00 0.02 3.43 0.00 0.58 0.44 119.26 126.34 1th4 h ALA 288 Ca 0.49 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.12 1th4 h ALA 288 Cb 0.93 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1th4 h ALA 288 CO -0.23 0.00 -1.49 0.39 0.00 0.00 0.00 179.25 177.92 1th4 n GLU 289 N -2.52 0.59 -0.20 0.00 1.02 0.46 -4.39 120.64 115.60 1th4 n GLU 289 Ca -0.01 0.50 -0.07 0.00 -0.02 0.00 0.00 57.16 57.56 1th4 n GLU 289 Cb 0.08 -1.72 0.03 0.00 -0.02 0.00 0.00 31.44 29.81 1th4 n GLU 289 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 1th4 h ILE 290 N -0.85 1.20 -0.86 -3.67 3.07 -0.68 -3.45 117.51 112.28 1th4 h ILE 290 Ca -0.40 -0.56 -0.53 0.00 1.55 0.00 0.00 64.86 64.92 1th4 h ILE 290 Cb 1.44 0.53 0.09 0.00 -0.27 0.00 0.00 36.82 38.61 1th4 h ILE 290 CO -0.19 0.23 -0.46 0.33 -1.05 0.00 0.00 178.15 177.01 1th4 n PHE 291 N -4.56 -0.52 0.21 0.16 7.35 0.08 -4.95 117.46 115.23 1th4 n PHE 291 Ca 0.03 0.75 0.10 0.00 -0.76 0.00 0.00 57.45 57.57 1th4 n PHE 291 Cb 0.12 -1.55 0.17 0.00 0.35 0.00 0.00 39.48 38.56 1th4 n PHE 291 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1th4 h PRO 292 N 0.74 0.00 -6.24 -7.13 0.13 -1.91 -3.47 132.00 114.13 1th4 h PRO 292 Ca -0.23 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.42 1th4 h PRO 292 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1th4 h PRO 292 CO 0.45 0.10 -0.34 -0.59 -0.23 0.00 0.00 178.00 177.38 1th4 s PHE 293 N -3.19 2.68 -0.16 1.56 -0.12 -1.26 -5.09 117.98 112.39 1th4 s PHE 293 Ca 0.06 -0.48 -0.38 0.00 -0.05 0.00 0.00 56.93 56.07 1th4 s PHE 293 Cb 0.06 -2.22 -0.15 0.00 -0.63 0.00 0.00 43.02 40.08 1th4 s PHE 293 CO 0.68 -0.22 1.68 -1.71 -0.05 0.00 0.00 175.22 175.60 1th4 n ASN 294 N -1.64 2.43 0.00 1.98 5.15 -1.26 -4.77 115.26 117.16 1th4 n ASN 294 Ca 0.05 1.07 0.02 0.00 -0.60 0.00 0.00 54.58 55.11 1th4 n ASN 294 Cb 0.61 -1.19 0.09 0.00 -0.53 0.00 0.00 39.78 38.76 1th4 n ASN 294 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1th4 n PRO 295 N 4.95 0.58 0.00 1.20 -0.04 -1.26 -2.16 135.00 138.27 1th4 n PRO 295 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1th4 n PRO 295 Cb 0.17 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1th4 n PRO 295 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1th4 n PHE 296 N -0.58 0.00 -1.71 0.54 3.72 -1.26 -4.95 117.46 113.21 1th4 n PHE 296 Ca 0.02 0.00 -0.61 0.00 -0.05 0.00 0.00 57.45 56.82 1th4 n PHE 296 Cb 0.01 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.47 1th4 n PHE 296 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1th4 n ASP 297 N -0.72 2.01 0.20 4.37 -0.08 -0.92 -4.75 116.55 116.66 1th4 n ASP 297 Ca 0.00 1.09 0.14 0.00 -1.51 0.00 0.00 54.79 54.51 1th4 n ASP 297 Cb 0.00 -1.06 0.66 0.00 2.34 0.00 0.00 41.12 43.06 1th4 n ASP 297 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1th4 h LEU 298 N 6.70 0.00 -3.82 -2.67 5.85 -1.91 -1.98 115.31 117.48 1th4 h LEU 298 Ca -0.45 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 57.94 1th4 h LEU 298 Cb 1.34 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 42.17 1th4 h LEU 298 CO 0.97 0.00 0.41 0.35 -0.34 0.00 0.00 178.44 179.83 1th4 n THR 299 N -2.52 3.02 -4.23 1.05 -2.24 -1.26 -2.42 114.28 105.68 1th4 n THR 299 Ca 0.00 -1.81 -0.19 0.00 -2.27 0.00 0.00 64.05 59.78 1th4 n THR 299 Cb 0.16 -0.40 -0.16 0.00 -2.10 0.00 0.00 70.33 67.84 1th4 n THR 299 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1th4 s LYS 300 N -3.13 0.77 -0.04 -0.78 -0.14 -0.75 -4.90 119.74 110.77 1th4 s LYS 300 Ca 0.55 -0.18 0.04 0.00 -1.36 0.00 0.00 55.97 55.03 1th4 s LYS 300 Cb 0.45 -0.75 -0.02 0.00 -1.68 0.00 0.00 37.83 35.83 1th4 s LYS 300 CO 0.12 0.02 -0.16 0.14 -0.76 0.00 0.00 175.35 174.70 1th4 s VAL 301 N 0.47 2.90 0.21 3.17 -7.23 -1.26 -4.84 120.40 113.82 1th4 s VAL 301 Ca -0.06 -0.79 -0.30 0.00 -1.81 0.00 0.00 61.98 59.02 1th4 s VAL 301 Cb -0.10 -2.12 -0.09 0.00 0.56 0.00 0.00 36.38 34.64 1th4 s VAL 301 CO 0.00 0.59 1.21 0.26 -0.31 0.00 0.00 175.10 176.85 1th4 s TRP 302 N -0.71 3.39 0.02 2.82 0.51 -1.26 -5.00 118.94 118.71 1th4 s TRP 302 Ca 0.11 1.43 -0.24 0.00 -2.12 0.00 0.00 56.10 55.28 1th4 s TRP 302 Cb -0.10 -3.46 -0.05 0.00 -0.81 0.00 0.00 33.47 29.05 1th4 s TRP 302 CO 0.00 -1.27 0.74 -1.25 -0.51 0.00 0.00 176.95 174.67 1th4 s PRO 303 N -0.54 4.47 0.60 4.98 0.05 -1.26 -4.92 135.00 138.37 1th4 s PRO 303 Ca 0.52 1.01 0.29 0.00 0.05 0.00 0.00 61.00 62.87 1th4 s PRO 303 Cb -0.34 -3.37 1.54 0.00 0.05 0.00 0.00 34.50 32.38 1th4 s PRO 303 CO 0.39 0.25 1.95 0.45 0.05 0.00 0.00 177.00 180.09 1th4 h HIS 304 N 5.84 0.00 0.00 0.56 3.86 -1.95 0.86 115.15 124.32 1th4 h HIS 304 Ca -0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1th4 h HIS 304 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 1th4 h HIS 304 CO 0.65 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.85 1th4 n GLY 305 N -1.44 -2.68 0.18 2.45 0.00 -1.26 -2.67 105.19 99.77 1th4 n GLY 305 Ca 0.05 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1th4 n GLY 305 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1th4 h ASP 306 N 0.00 0.60 -3.76 1.61 5.19 -1.88 -3.38 116.42 114.80 1th4 h ASP 306 Ca 0.00 -0.48 -0.68 0.00 -0.62 0.00 0.00 57.03 55.24 1th4 h ASP 306 Cb 0.00 -0.17 -0.36 0.00 0.18 0.00 0.00 39.33 38.98 1th4 h ASP 306 CO 0.00 0.96 -0.55 -0.31 -3.12 0.00 0.00 179.24 176.22 1th4 s TYR 307 N -4.30 3.54 0.72 4.55 2.02 0.26 -5.06 117.35 119.08 1th4 s TYR 307 Ca -0.13 -2.68 -0.13 0.00 -0.37 0.00 0.00 57.07 53.76 1th4 s TYR 307 Cb 0.07 -3.12 0.03 0.00 -0.40 0.00 0.00 41.96 38.54 1th4 s TYR 307 CO 0.80 -0.92 1.12 -1.25 -1.57 0.00 0.00 175.55 173.73 1th4 s PRO 308 N 0.69 2.44 -0.29 -1.71 0.04 -1.09 -3.70 135.00 131.38 1th4 s PRO 308 Ca 0.12 1.37 -0.27 0.00 0.04 0.00 0.00 61.00 62.25 1th4 s PRO 308 Cb -0.22 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1th4 s PRO 308 CO -0.04 -1.53 0.98 -0.51 0.04 0.00 0.00 177.00 175.94 1th4 s LEU 309 N -5.35 4.02 -0.06 -3.56 1.02 -1.26 -4.42 118.68 109.07 1th4 s LEU 309 Ca 0.66 1.05 -0.10 0.00 0.02 0.00 0.00 54.13 55.75 1th4 s LEU 309 Cb -0.20 -3.40 -0.05 0.00 0.02 0.00 0.00 46.19 42.56 1th4 s LEU 309 CO 0.48 -0.73 0.27 -0.63 0.02 0.00 0.00 176.35 175.76 1th4 s ILE 310 N 3.30 5.28 0.34 -0.59 1.09 -0.02 -4.89 121.20 125.70 1th4 s ILE 310 Ca 0.41 0.49 -0.21 0.00 -1.10 0.00 0.00 60.65 60.24 1th4 s ILE 310 Cb -0.14 -3.55 -0.10 0.00 -1.06 0.00 0.00 42.46 37.61 1th4 s ILE 310 CO 0.11 0.58 0.87 -2.16 -0.10 0.00 0.00 174.94 174.24 1th4 s PRO 311 N -1.11 4.31 0.11 2.79 0.05 -1.26 -0.45 135.00 139.43 1th4 s PRO 311 Ca 0.20 1.06 0.00 0.00 0.05 0.00 0.00 61.00 62.31 1th4 s PRO 311 Cb -0.14 -2.55 0.00 0.00 0.05 0.00 0.00 34.50 31.86 1th4 s PRO 311 CO 0.09 0.18 0.00 0.28 0.05 0.00 0.00 177.00 177.60 1th4 n VAL 312 N 0.05 0.32 -3.00 -0.36 0.31 0.53 -4.66 118.33 111.51 1th4 n VAL 312 Ca 0.03 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1th4 n VAL 312 Cb 0.52 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 1th4 n VAL 312 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1th4 n GLY 313 N 2.45 1.68 3.46 2.92 0.00 -0.94 -0.93 105.19 113.83 1th4 n GLY 313 Ca 0.00 -0.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 1th4 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1th4 s LYS 314 N -0.90 2.28 -0.37 1.61 -0.14 0.11 -0.13 119.74 122.19 1th4 s LYS 314 Ca 0.00 -0.84 -0.03 0.00 -1.36 0.00 0.00 55.97 53.73 1th4 s LYS 314 Cb 0.00 -2.27 0.08 0.00 -1.68 0.00 0.00 37.83 33.96 1th4 s LYS 314 CO 0.00 0.58 0.13 -0.51 -0.76 0.00 0.00 175.35 174.79 1th4 s LEU 315 N -1.05 4.69 -0.17 3.17 1.43 0.69 -0.61 118.68 126.82 1th4 s LEU 315 Ca 0.13 -1.63 -0.01 0.00 -1.03 0.00 0.00 54.13 51.59 1th4 s LEU 315 Cb -0.11 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 1th4 s LEU 315 CO 0.03 -0.42 -0.13 -0.69 0.23 0.00 0.00 176.35 175.37 1th4 s VAL 316 N 1.23 2.82 -0.41 -1.59 1.01 -0.56 -0.51 120.40 122.40 1th4 s VAL 316 Ca 0.02 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 1th4 s VAL 316 Cb -0.21 -2.22 0.07 0.00 0.00 0.00 0.00 36.38 34.02 1th4 s VAL 316 CO -0.02 0.49 0.24 -0.76 0.00 0.00 0.00 175.10 175.06 1th4 s LEU 317 N 1.02 5.07 -0.16 3.92 1.43 -1.08 -0.32 118.68 128.55 1th4 s LEU 317 Ca -0.01 -1.46 0.14 0.00 -1.03 0.00 0.00 54.13 51.77 1th4 s LEU 317 Cb -0.15 -1.98 0.36 0.00 0.03 0.00 0.00 46.19 44.45 1th4 s LEU 317 CO -0.02 -0.51 1.18 -0.46 0.23 0.00 0.00 176.35 176.77 1th4 n ASN 318 N 4.91 1.82 -3.68 2.29 6.94 -0.53 -4.00 115.26 123.00 1th4 n ASN 318 Ca -0.10 -3.41 -0.12 0.00 -0.02 0.00 0.00 54.58 50.93 1th4 n ASN 318 Cb 0.43 -0.46 -0.12 0.00 -2.36 0.00 0.00 39.78 37.26 1th4 n ASN 318 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1th4 s ARG 319 N -2.76 0.21 0.45 -3.83 3.52 -0.67 -5.00 118.95 110.86 1th4 s ARG 319 Ca 0.34 0.74 -0.13 0.00 -0.13 0.00 0.00 55.73 56.55 1th4 s ARG 319 Cb 0.32 -0.01 -0.07 0.00 -1.56 0.00 0.00 34.95 33.64 1th4 s ARG 319 CO -0.04 -0.23 0.85 -0.80 -0.81 0.00 0.00 175.30 174.27 1th4 s ASN 320 N 2.03 6.55 0.43 -2.12 0.01 -1.26 -0.46 114.94 120.12 1th4 s ASN 320 Ca -0.03 1.29 -0.24 0.00 -0.71 0.00 0.00 52.86 53.17 1th4 s ASN 320 Cb -0.11 -2.39 -0.08 0.00 0.41 0.00 0.00 41.25 39.08 1th4 s ASN 320 CO -0.10 -0.47 1.14 -2.84 -1.51 0.00 0.00 177.10 173.32 1th4 s PRO 321 N -3.94 3.94 -0.15 -0.60 0.02 -1.26 -4.87 135.00 128.13 1th4 s PRO 321 Ca 0.54 1.72 -0.27 0.00 0.02 0.00 0.00 61.00 63.01 1th4 s PRO 321 Cb -0.10 -2.51 -0.25 0.00 0.02 0.00 0.00 34.50 31.66 1th4 s PRO 321 CO 0.32 -0.39 0.67 0.28 -0.33 0.00 0.00 177.00 177.54 1th4 h VAL 322 N 2.07 1.61 -3.37 3.83 2.07 -1.99 -3.43 116.25 117.04 1th4 h VAL 322 Ca -0.49 -2.33 -0.62 0.00 0.82 0.00 0.00 66.70 64.08 1th4 h VAL 322 Cb 1.24 3.16 -0.37 0.00 -1.52 0.00 0.00 31.29 33.79 1th4 h VAL 322 CO 0.61 0.56 -0.82 0.21 0.02 0.00 0.00 177.57 178.16 1th4 s ASN 323 N -6.39 3.30 0.08 0.57 3.84 -1.26 -5.05 114.94 110.03 1th4 s ASN 323 Ca -0.21 -0.82 -0.25 0.00 0.21 0.00 0.00 52.86 51.79 1th4 s ASN 323 Cb -0.01 -1.25 -0.16 0.00 -0.55 0.00 0.00 41.25 39.28 1th4 s ASN 323 CO 0.68 -0.12 1.70 0.22 -2.79 0.00 0.00 177.10 176.78 1th4 h TYR 324 N 7.98 -0.17 -0.94 0.43 5.03 -1.98 -2.05 116.97 125.27 1th4 h TYR 324 Ca -0.30 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.07 1th4 h TYR 324 Cb 1.10 0.06 -0.06 0.00 1.55 0.00 0.00 36.73 39.38 1th4 h TYR 324 CO 0.50 -0.09 0.61 0.35 -1.32 0.00 0.00 178.16 178.21 1th4 h PHE 325 N -0.20 1.10 -0.35 -3.82 3.57 -1.96 0.22 116.94 115.49 1th4 h PHE 325 Ca -0.02 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.35 1th4 h PHE 325 Cb 0.16 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 1th4 h PHE 325 CO -0.06 0.57 -0.42 0.00 -2.23 0.00 0.00 178.31 176.17 1th4 h ALA 326 N 1.49 0.60 0.00 2.41 0.00 -1.94 -2.58 119.26 119.24 1th4 h ALA 326 Ca 0.41 -0.47 -0.30 0.00 0.00 0.00 0.00 54.91 54.55 1th4 h ALA 326 Cb 0.20 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1th4 h ALA 326 CO -0.16 0.68 -2.24 0.39 0.00 0.00 0.00 179.25 177.92 1th4 n GLU 327 N -4.04 0.91 -0.09 0.00 1.02 -0.78 -4.43 120.64 113.23 1th4 n GLU 327 Ca -0.02 -0.03 -0.17 0.00 -0.02 0.00 0.00 57.16 56.91 1th4 n GLU 327 Cb 0.56 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.43 1th4 n GLU 327 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1th4 n VAL 328 N -2.64 0.95 -0.29 2.62 0.31 0.75 -3.96 118.33 116.07 1th4 n VAL 328 Ca -0.27 -0.26 -0.04 0.00 -0.01 0.00 0.00 64.34 63.76 1th4 n VAL 328 Cb 1.04 -1.62 0.08 0.00 -0.91 0.00 0.00 33.84 32.43 1th4 n VAL 328 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1th4 h GLU 329 N -0.51 1.05 0.00 5.55 4.57 -1.54 -2.50 114.58 121.20 1th4 h GLU 329 Ca -0.43 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 1th4 h GLU 329 Cb 1.42 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1th4 h GLU 329 CO -0.23 0.70 -0.22 1.04 -1.18 0.00 0.00 179.01 179.11 1th4 n GLN 330 N -4.53 0.13 -1.66 1.92 6.02 -0.97 -4.91 117.38 113.37 1th4 n GLN 330 Ca 0.08 0.07 -0.42 0.00 -0.01 0.00 0.00 57.00 56.72 1th4 n GLN 330 Cb 0.02 -1.62 -0.00 0.00 1.02 0.00 0.00 30.24 29.66 1th4 n GLN 330 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1th4 n LEU 331 N -1.82 3.11 -3.72 1.08 4.77 -0.94 -4.90 117.00 114.57 1th4 n LEU 331 Ca 0.06 1.16 -0.21 0.00 -0.03 0.00 0.00 56.01 56.98 1th4 n LEU 331 Cb 0.38 -1.42 -0.18 0.00 -2.33 0.00 0.00 43.42 39.87 1th4 n LEU 331 CO 0.31 -0.87 -0.36 0.00 -1.33 0.00 0.00 177.39 175.15 1th4 s ALA 332 N -1.13 0.41 -0.23 -1.18 0.00 -1.26 -5.03 121.76 113.34 1th4 s ALA 332 Ca 0.58 0.07 -0.05 0.00 0.00 0.00 0.00 51.96 52.56 1th4 s ALA 332 Cb -0.58 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1th4 s ALA 332 CO 0.60 -0.45 -0.01 -0.06 0.00 0.00 0.00 175.76 175.85 1th4 s PHE 333 N 2.01 3.01 -0.26 0.00 0.40 -1.26 -4.92 117.98 116.96 1th4 s PHE 333 Ca 0.04 -0.82 -0.01 0.00 -0.60 0.00 0.00 56.93 55.53 1th4 s PHE 333 Cb -0.12 -2.15 0.03 0.00 0.51 0.00 0.00 43.02 41.29 1th4 s PHE 333 CO -0.04 -0.51 -0.06 -0.51 0.70 0.00 0.00 175.22 174.81 1th4 s ASP 334 N 1.51 4.41 0.48 1.36 1.01 -1.26 -4.87 116.67 119.31 1th4 s ASP 334 Ca 0.06 -0.99 0.21 0.00 0.71 0.00 0.00 52.55 52.53 1th4 s ASP 334 Cb -0.15 -1.66 1.23 0.00 1.01 0.00 0.00 42.92 43.35 1th4 s ASP 334 CO -0.01 -0.16 1.95 -0.65 0.21 0.00 0.00 175.17 176.52 1th4 h PRO 335 N 7.99 0.20 0.00 8.23 0.11 -1.86 0.13 132.00 146.80 1th4 h PRO 335 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1th4 h PRO 335 Cb 1.09 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1th4 h PRO 335 CO 0.56 0.13 0.25 0.77 -0.21 0.00 0.00 178.00 179.50 1th4 h SER 336 N 0.21 0.00 -3.37 -2.05 0.02 -1.85 -3.39 113.55 103.12 1th4 h SER 336 Ca 0.32 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.70 1th4 h SER 336 Cb 0.95 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.43 1th4 h SER 336 CO -0.06 0.00 0.87 0.20 -1.14 0.00 0.00 176.83 176.70 1th4 s ASN 337 N -4.60 6.86 -0.22 3.07 -0.87 0.47 -4.99 114.94 114.67 1th4 s ASN 337 Ca -0.04 0.96 -0.05 0.00 -1.57 0.00 0.00 52.86 52.16 1th4 s ASN 337 Cb 0.10 -2.54 0.11 0.00 -0.02 0.00 0.00 41.25 38.89 1th4 s ASN 337 CO 0.31 -0.96 0.42 -0.04 -2.57 0.00 0.00 177.10 174.26 1th4 s MET 338 N 3.82 0.35 1.02 -0.60 -1.94 -1.26 -3.08 119.30 117.61 1th4 s MET 338 Ca 0.47 0.90 -0.12 0.00 -1.71 0.00 0.00 55.69 55.23 1th4 s MET 338 Cb -0.12 0.13 0.20 0.00 2.01 0.00 0.00 34.83 37.05 1th4 s MET 338 CO 0.19 -0.38 1.09 -2.14 -0.01 0.00 0.00 175.02 173.76 1th4 s PRO 339 N 2.62 0.29 0.14 2.03 0.02 -1.26 -4.86 135.00 133.97 1th4 s PRO 339 Ca 0.03 0.53 -0.31 0.00 0.02 0.00 0.00 61.00 61.27 1th4 s PRO 339 Cb -0.13 -1.72 -0.10 0.00 0.02 0.00 0.00 34.50 32.57 1th4 s PRO 339 CO -0.14 -2.83 1.71 -2.14 -0.33 0.00 0.00 177.00 173.26 1th4 s PRO 340 N -4.93 4.16 0.00 5.54 0.02 -1.26 -1.95 135.00 136.58 1th4 s PRO 340 Ca 0.66 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.17 1th4 s PRO 340 Cb -0.19 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 30.97 1th4 s PRO 340 CO 0.58 -0.74 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 1th4 n GLY 341 N 4.01 1.82 3.22 0.52 0.00 -1.26 -3.28 105.19 110.21 1th4 n GLY 341 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1th4 n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th4 s ILE 342 N -1.77 2.02 -0.03 -0.61 1.01 -0.82 -0.93 121.20 120.07 1th4 s ILE 342 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 1th4 s ILE 342 Cb 0.00 -1.74 0.01 0.00 0.01 0.00 0.00 42.46 40.74 1th4 s ILE 342 CO 0.00 0.55 0.20 -1.61 0.00 0.00 0.00 174.94 174.08 1th4 s GLU 343 N 0.30 0.43 1.30 2.79 2.02 -0.84 -4.58 118.70 120.12 1th4 s GLU 343 Ca -0.17 -0.11 -0.18 0.00 0.02 0.00 0.00 54.97 54.53 1th4 s GLU 343 Cb -0.17 0.19 0.32 0.00 0.10 0.00 0.00 34.13 34.57 1th4 s GLU 343 CO 0.08 -0.10 0.88 -0.35 0.02 0.00 0.00 175.26 175.79 1th4 n PRO 344 N 1.97 -3.47 -4.40 0.39 -0.04 -1.26 0.43 135.00 128.61 1th4 n PRO 344 Ca -0.19 -1.01 -0.20 0.00 -0.04 0.00 0.00 63.50 62.06 1th4 n PRO 344 Cb 0.57 -2.02 -0.10 0.00 -0.04 0.00 0.00 33.50 31.91 1th4 n PRO 344 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1th4 s SER 345 N -2.60 2.35 0.55 3.54 1.04 -1.26 -4.27 113.70 113.05 1th4 s SER 345 Ca 0.67 -1.25 0.35 0.00 0.48 0.00 0.00 55.95 56.20 1th4 s SER 345 Cb -0.19 -0.09 1.52 0.00 0.10 0.00 0.00 66.02 67.36 1th4 s SER 345 CO 0.61 -0.47 1.79 -0.65 0.98 0.00 0.00 173.24 175.50 1th4 h PRO 346 N 2.30 0.00 0.00 4.02 0.11 -1.97 -3.41 132.00 133.05 1th4 h PRO 346 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1th4 h PRO 346 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1th4 h PRO 346 CO 0.67 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.99 1th4 n ASP 347 N -4.08 0.00 0.01 -2.05 -0.08 -1.26 -4.63 116.55 104.46 1th4 n ASP 347 Ca 0.24 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.58 1th4 n ASP 347 Cb 1.20 0.00 0.30 0.00 2.34 0.00 0.00 41.12 44.96 1th4 n ASP 347 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1th4 n LYS 348 N 0.00 0.01 -0.10 -0.67 5.02 -1.26 -1.26 118.16 119.90 1th4 n LYS 348 Ca 0.00 0.27 -0.24 0.00 -2.02 0.00 0.00 58.31 56.32 1th4 n LYS 348 Cb 0.00 -1.52 -0.11 0.00 -0.02 0.00 0.00 35.03 33.38 1th4 n LYS 348 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1th4 n MET 349 N -1.53 0.61 0.45 1.97 1.56 -1.26 -2.46 117.12 116.45 1th4 n MET 349 Ca 0.03 0.40 -0.18 0.00 -0.27 0.00 0.00 57.70 57.68 1th4 n MET 349 Cb 0.16 -1.65 -0.09 0.00 2.15 0.00 0.00 33.22 33.80 1th4 n MET 349 CO 0.00 0.00 0.00 1.25 -0.73 0.00 0.00 175.97 176.49 1th4 h LEU 350 N -0.75 -0.96 -0.81 -0.89 5.85 -1.77 -2.89 115.31 113.08 1th4 h LEU 350 Ca -0.49 0.03 0.14 0.00 0.84 0.00 0.00 57.88 58.40 1th4 h LEU 350 Cb 1.56 0.25 -0.14 0.00 0.37 0.00 0.00 40.66 42.70 1th4 h LEU 350 CO -0.22 -0.64 -0.26 0.00 -0.34 0.00 0.00 178.44 176.98 1th4 n GLN 351 N -5.55 -0.14 -0.29 1.25 1.13 -0.39 0.24 117.38 113.64 1th4 n GLN 351 Ca -0.15 1.25 0.03 0.00 -1.94 0.00 0.00 57.00 56.19 1th4 n GLN 351 Cb 0.45 -1.86 0.23 0.00 0.11 0.00 0.00 30.24 29.17 1th4 n GLN 351 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1th4 h GLY 352 N 0.00 1.28 0.82 1.08 0.00 -1.72 -1.45 103.07 103.09 1th4 h GLY 352 Ca 0.33 -0.42 0.05 0.00 0.00 0.00 0.00 47.33 47.29 1th4 h GLY 352 CO -0.82 0.34 0.65 3.21 0.00 0.00 0.00 176.54 179.92 1th4 h ARG 353 N 1.06 1.19 0.00 4.80 3.08 0.34 -1.08 114.38 123.77 1th4 h ARG 353 Ca 0.37 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1th4 h ARG 353 Cb 0.11 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1th4 h ARG 353 CO -0.12 0.79 0.42 -0.07 -1.07 0.00 0.00 179.97 179.91 1th4 h LEU 354 N 1.23 0.00 0.00 3.04 3.38 -0.55 -2.30 115.31 120.11 1th4 h LEU 354 Ca 0.41 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.05 1th4 h LEU 354 Cb 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1th4 h LEU 354 CO -0.14 0.00 -2.19 0.33 0.09 0.00 0.00 178.44 176.53 1th4 n PHE 355 N -2.54 0.00 -0.28 1.13 -0.00 -0.45 -4.59 117.46 110.74 1th4 n PHE 355 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 1th4 n PHE 355 Cb 0.45 -0.79 0.13 0.00 -0.00 0.00 0.00 39.48 39.27 1th4 n PHE 355 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1th4 h ALA 356 N -0.28 1.08 0.39 3.13 0.00 -1.01 -2.58 119.26 119.99 1th4 h ALA 356 Ca -0.49 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1th4 h ALA 356 Cb 1.63 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1th4 h ALA 356 CO -0.17 0.16 -0.19 1.88 0.00 0.00 0.00 179.25 180.93 1th4 h TYR 357 N 0.83 -0.49 -0.33 0.00 -1.99 -1.78 0.22 116.97 113.42 1th4 h TYR 357 Ca 0.35 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.98 1th4 h TYR 357 Cb 0.22 0.16 -0.02 0.00 2.00 0.00 0.00 36.73 39.09 1th4 h TYR 357 CO -0.05 -0.17 -0.18 -1.35 -0.00 0.00 0.00 178.16 176.41 1th4 h PRO 358 N -0.85 0.61 0.16 4.88 0.11 -1.81 -2.68 132.00 132.42 1th4 h PRO 358 Ca -0.05 -0.21 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 1th4 h PRO 358 Cb 0.54 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1th4 h PRO 358 CO 0.09 0.76 -0.08 0.22 -0.21 0.00 0.00 178.00 178.77 1th4 h ASP 359 N 0.55 -0.21 -0.24 -2.05 3.58 -1.45 -2.38 116.42 114.23 1th4 h ASP 359 Ca 0.09 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.62 1th4 h ASP 359 Cb 0.62 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 1th4 h ASP 359 CO 0.04 -0.14 0.48 0.00 -2.88 0.00 0.00 179.24 176.75 1th4 h THR 360 N -0.23 0.16 -0.12 2.25 1.03 -0.62 0.39 112.91 115.76 1th4 h THR 360 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 66.41 66.30 1th4 h THR 360 Cb 0.18 0.57 0.00 0.00 -1.07 0.00 0.00 68.15 67.82 1th4 h THR 360 CO 0.03 0.00 -0.23 0.45 -0.01 0.00 0.00 175.52 175.76 1th4 h HIS 361 N 0.00 0.47 0.00 0.00 3.86 -1.13 -1.39 115.15 116.96 1th4 h HIS 361 Ca 0.11 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1th4 h HIS 361 Cb 1.08 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.46 1th4 h HIS 361 CO 0.00 0.85 0.10 0.54 0.86 0.00 0.00 177.93 180.28 1th4 n ARG 362 N -4.48 0.00 -0.01 2.45 1.74 0.12 -1.12 116.66 115.36 1th4 n ARG 362 Ca -0.07 0.37 -0.02 0.00 -0.77 0.00 0.00 57.85 57.36 1th4 n ARG 362 Cb 0.43 -1.60 -0.01 0.00 -1.02 0.00 0.00 32.46 30.27 1th4 n ARG 362 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1th4 n HIS 363 N -1.36 0.00 -0.15 -1.55 -0.00 -1.03 -3.76 115.22 107.37 1th4 n HIS 363 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 1th4 n HIS 363 Cb 0.10 -0.09 0.05 0.00 -0.00 0.00 0.00 29.99 30.06 1th4 n HIS 363 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1th4 h ARG 364 N -0.17 0.08 0.00 1.57 2.43 -0.91 -3.34 114.38 114.04 1th4 h ARG 364 Ca 0.00 -0.00 -0.44 0.00 -0.81 0.00 0.00 59.98 58.73 1th4 h ARG 364 Cb 0.17 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.64 1th4 h ARG 364 CO 0.00 0.05 -2.47 1.28 -1.51 0.00 0.00 179.97 177.32 1th4 n LEU 365 N -5.27 2.18 0.00 3.80 4.77 -0.28 -4.44 117.00 117.76 1th4 n LEU 365 Ca 0.05 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1th4 n LEU 365 Cb 0.27 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1th4 n LEU 365 CO 0.14 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1th4 n GLY 366 N 1.48 3.96 0.22 -0.72 0.00 -1.00 -4.87 105.19 104.26 1th4 n GLY 366 Ca -0.52 -1.42 -0.03 0.00 0.00 0.00 0.00 46.02 44.06 1th4 n GLY 366 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1th4 h PRO 367 N 0.00 -0.02 -0.98 1.61 0.11 -1.86 -2.08 132.00 128.78 1th4 h PRO 367 Ca 0.00 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.78 1th4 h PRO 367 Cb 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 30.91 1th4 h PRO 367 CO 0.00 -0.01 0.42 0.09 -0.21 0.00 0.00 178.00 178.29 1th4 n ASN 368 N -5.38 3.59 -0.34 -2.05 3.02 -1.26 -4.66 115.26 108.17 1th4 n ASN 368 Ca 0.05 -3.09 0.26 0.00 -0.03 0.00 0.00 54.58 51.77 1th4 n ASN 368 Cb 0.29 -0.73 0.54 0.00 -0.61 0.00 0.00 39.78 39.27 1th4 n ASN 368 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1th4 h TYR 369 N 0.87 0.63 0.00 3.10 -0.00 -1.71 0.42 116.97 120.28 1th4 h TYR 369 Ca 0.41 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 59.16 1th4 h TYR 369 Cb 2.25 -0.18 0.00 0.00 -0.00 0.00 0.00 36.73 38.81 1th4 h TYR 369 CO 1.09 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.54 1th4 n LEU 370 N -4.64 0.00 -0.69 0.10 4.77 -1.26 0.05 117.00 115.33 1th4 n LEU 370 Ca 0.28 0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.41 1th4 n LEU 370 Cb 0.99 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 42.10 1th4 n LEU 370 CO 0.24 -0.04 0.48 0.00 -1.33 0.00 0.00 177.39 176.74 1th4 n GLN 371 N -1.04 1.70 -2.48 3.23 6.02 0.15 -2.68 117.38 122.27 1th4 n GLN 371 Ca 0.01 -1.39 -0.42 0.00 -0.01 0.00 0.00 57.00 55.19 1th4 n GLN 371 Cb 0.01 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.76 1th4 n GLN 371 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1th4 s ILE 372 N -2.26 4.13 0.10 5.09 1.01 0.11 -4.83 121.20 124.55 1th4 s ILE 372 Ca 0.23 1.58 -0.12 0.00 0.00 0.00 0.00 60.65 62.34 1th4 s ILE 372 Cb 0.19 -4.01 0.05 0.00 0.01 0.00 0.00 42.46 38.70 1th4 s ILE 372 CO 0.44 0.15 0.80 -2.65 0.00 0.00 0.00 174.94 173.68 1th4 n PRO 373 N 3.64 -0.17 0.12 2.79 -0.02 -1.26 -0.34 135.00 139.76 1th4 n PRO 373 Ca 0.07 0.79 0.12 0.00 -2.02 0.00 0.00 63.50 62.46 1th4 n PRO 373 Cb 0.47 -1.17 0.48 0.00 -0.02 0.00 0.00 33.50 33.26 1th4 n PRO 373 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1th4 n VAL 374 N -4.71 0.81 -0.01 -1.45 0.24 -1.26 -2.87 118.33 109.07 1th4 n VAL 374 Ca 0.03 0.18 0.04 0.00 -2.04 0.00 0.00 64.34 62.55 1th4 n VAL 374 Cb 0.17 -1.10 -0.13 0.00 -1.47 0.00 0.00 33.84 31.31 1th4 n VAL 374 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1th4 n ASN 375 N -2.20 0.25 -4.73 -1.34 3.02 0.54 -4.89 115.26 105.91 1th4 n ASN 375 Ca 0.03 0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 1th4 n ASN 375 Cb 0.25 1.25 0.00 0.00 -0.61 0.00 0.00 39.78 40.67 1th4 n ASN 375 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1th4 n PRO 377 N 0.36 3.47 0.09 0.00 -0.04 -1.26 -4.81 135.00 132.80 1th4 n PRO 377 Ca 0.04 -3.56 0.11 0.00 -0.04 0.00 0.00 63.50 60.05 1th4 n PRO 377 Cb 0.38 -3.01 0.44 0.00 -0.04 0.00 0.00 33.50 31.26 1th4 n PRO 377 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1th4 n TYR 378 N 4.81 0.56 0.23 0.54 4.11 -1.26 -2.58 117.16 123.58 1th4 n TYR 378 Ca 0.40 0.21 0.06 0.00 -0.00 0.00 0.00 57.90 58.58 1th4 n TYR 378 Cb 0.39 -0.84 0.23 0.00 -0.00 0.00 0.00 39.34 39.11 1th4 n TYR 378 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1th4 n ARG 379 N -2.00 2.61 0.00 -3.48 5.12 -1.26 -4.83 116.66 112.82 1th4 n ARG 379 Ca 0.03 -1.82 0.00 0.00 -1.93 0.00 0.00 57.85 54.13 1th4 n ARG 379 Cb 0.23 -1.60 0.00 0.00 -1.16 0.00 0.00 32.46 29.94 1th4 n ARG 379 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1th4 n ALA 380 N 0.71 0.00 -3.01 7.54 0.00 -1.06 -3.66 120.51 121.03 1th4 n ALA 380 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.61 1th4 n ALA 380 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.01 1th4 n ALA 380 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1th4 s ARG 381 N 4.75 0.58 0.09 0.00 3.52 -1.26 -5.05 118.95 121.58 1th4 s ARG 381 Ca 0.00 -0.23 -0.33 0.00 -0.13 0.00 0.00 55.73 55.04 1th4 s ARG 381 Cb 0.00 0.06 -0.13 0.00 -1.56 0.00 0.00 34.95 33.32 1th4 s ARG 381 CO 0.00 -0.83 1.72 0.28 -0.81 0.00 0.00 175.30 175.66 1th4 n VAL 382 N 4.02 0.24 -3.62 7.11 0.31 -1.26 -4.95 118.33 120.16 1th4 n VAL 382 Ca 0.09 -0.04 -0.07 0.00 -0.01 0.00 0.00 64.34 64.32 1th4 n VAL 382 Cb 0.59 -1.77 -0.08 0.00 -0.91 0.00 0.00 33.84 31.67 1th4 n VAL 382 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1th4 s ALA 383 N 2.17 -1.38 0.00 3.52 0.00 -1.26 -5.10 121.76 119.71 1th4 s ALA 383 Ca 0.83 1.66 0.00 0.00 0.00 0.00 0.00 51.96 54.45 1th4 s ALA 383 Cb -0.63 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.02 1th4 s ALA 383 CO 0.41 -0.84 0.00 0.27 0.00 0.00 0.00 175.76 175.60 1th4 n ASN 384 N 5.40 0.00 -0.99 0.00 0.23 -1.26 -4.95 115.26 113.69 1th4 n ASN 384 Ca -0.09 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 53.95 1th4 n ASN 384 Cb 0.49 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.38 1th4 n ASN 384 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1th4 n TYR 385 N 0.00 0.74 -3.73 -2.53 4.01 -1.26 -4.89 117.16 109.50 1th4 n TYR 385 Ca 0.00 -1.64 -0.37 0.00 -0.16 0.00 0.00 57.90 55.73 1th4 n TYR 385 Cb 0.00 -0.38 -0.07 0.00 -0.31 0.00 0.00 39.34 38.59 1th4 n TYR 385 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1th4 s GLN 386 N -3.29 3.81 0.13 -0.72 -0.21 -1.26 -4.91 119.66 113.21 1th4 s GLN 386 Ca 0.42 -0.03 -0.08 0.00 0.02 0.00 0.00 55.36 55.70 1th4 s GLN 386 Cb 0.39 -3.28 -0.01 0.00 1.00 0.00 0.00 33.01 31.11 1th4 s GLN 386 CO -0.03 0.57 0.22 1.03 -2.12 0.00 0.00 175.29 174.96 1th4 s ARG 387 N -0.49 1.01 4.34 2.91 1.81 -1.26 -4.91 118.95 122.36 1th4 s ARG 387 Ca 0.15 -1.13 0.00 0.00 -1.72 0.00 0.00 55.73 53.03 1th4 s ARG 387 Cb -0.13 0.35 0.00 0.00 -0.45 0.00 0.00 34.95 34.72 1th4 s ARG 387 CO 0.04 -0.34 0.00 -0.25 -0.68 0.00 0.00 175.30 174.07 1th4 n ASP 388 N -0.14 0.00 0.00 0.23 9.92 -1.26 -5.06 116.55 120.24 1th4 n ASP 388 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 1th4 n ASP 388 Cb 0.63 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 1th4 n ASP 388 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1th4 n GLY 389 N 0.00 -1.01 3.71 0.44 0.00 -1.26 -4.75 105.19 102.33 1th4 n GLY 389 Ca 0.00 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 1th4 n GLY 389 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1th4 s PRO 390 N -3.81 1.96 -1.53 1.61 0.04 -1.26 -3.44 135.00 128.56 1th4 s PRO 390 Ca 0.00 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 62.67 1th4 s PRO 390 Cb 0.00 -1.82 0.08 0.00 0.04 0.00 0.00 34.50 32.80 1th4 s PRO 390 CO 0.00 -1.97 0.72 -1.33 0.04 0.00 0.00 177.00 174.47 1th4 n MET 391 N -2.97 -4.02 -2.01 4.56 2.81 -1.26 -4.39 117.12 109.84 1th4 n MET 391 Ca 0.13 0.47 -0.28 0.00 -1.81 0.00 0.00 57.70 56.21 1th4 n MET 391 Cb 0.50 -5.05 -0.05 0.00 -0.71 0.00 0.00 33.22 27.92 1th4 n MET 391 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1th4 n MET 393 N 8.91 -0.07 0.00 0.00 2.81 -1.26 -4.74 117.12 122.77 1th4 n MET 393 Ca 0.38 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 1th4 n MET 393 Cb 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.99 1th4 n MET 393 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1th4 n MET 394 N -0.77 0.00 -0.01 0.03 2.81 -1.26 -3.49 117.12 114.42 1th4 n MET 394 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1th4 n MET 394 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1th4 n MET 394 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1th4 n ASP 395 N 6.80 0.00 0.00 7.83 -0.08 -1.26 -4.97 116.55 124.87 1th4 n ASP 395 Ca 0.00 -1.02 0.00 0.00 -1.51 0.00 0.00 54.79 52.26 1th4 n ASP 395 Cb 0.00 -0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1th4 n ASP 395 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1th4 n ASN 396 N 0.00 -2.87 0.00 1.67 5.15 -1.23 -0.90 115.26 117.08 1th4 n ASN 396 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1th4 n ASN 396 Cb 0.50 -2.07 0.00 0.00 -0.53 0.00 0.00 39.78 37.68 1th4 n ASN 396 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1th4 n GLN 397 N -1.09 0.00 0.00 1.20 6.02 -1.26 -4.80 117.38 117.44 1th4 n GLN 397 Ca 0.00 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 1th4 n GLN 397 Cb 0.19 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.06 1th4 n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1th4 n GLY 398 N -2.37 3.09 0.89 1.08 0.00 -0.08 -3.41 105.19 104.39 1th4 n GLY 398 Ca 0.00 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.80 1th4 n GLY 398 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th4 n GLY 399 N 0.00 1.21 3.62 -0.02 0.00 -1.26 -5.00 105.19 103.73 1th4 n GLY 399 Ca 0.00 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 1th4 n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th4 n ALA 400 N 0.92 0.20 -1.72 4.61 0.00 -1.22 -4.91 120.51 118.39 1th4 n ALA 400 Ca 0.17 -0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.20 1th4 n ALA 400 Cb 0.43 -2.12 0.01 0.00 0.00 0.00 0.00 19.45 17.78 1th4 n ALA 400 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1th4 n PRO 401 N -1.08 2.05 -0.06 0.00 -0.02 -1.26 -4.94 135.00 129.69 1th4 n PRO 401 Ca 0.14 0.73 0.07 0.00 -2.02 0.00 0.00 63.50 62.42 1th4 n PRO 401 Cb 0.48 -2.47 0.10 0.00 -0.02 0.00 0.00 33.50 31.58 1th4 n PRO 401 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1th4 n ASN 402 N 0.09 2.49 -4.46 2.55 0.23 -1.26 -4.90 115.26 110.00 1th4 n ASN 402 Ca 0.06 -1.71 -0.28 0.00 -0.53 0.00 0.00 54.58 52.11 1th4 n ASN 402 Cb 0.40 -0.08 -0.12 0.00 -2.08 0.00 0.00 39.78 37.90 1th4 n ASN 402 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1th4 s TYR 403 N -1.16 2.42 -0.05 -2.53 1.13 -1.26 -4.81 117.35 111.09 1th4 s TYR 403 Ca 0.21 -0.32 0.02 0.00 -1.41 0.00 0.00 57.07 55.57 1th4 s TYR 403 Cb 0.13 -1.24 0.01 0.00 -1.10 0.00 0.00 41.96 39.76 1th4 s TYR 403 CO 0.19 0.44 -0.09 -0.47 -2.51 0.00 0.00 175.55 173.11 1th4 s TYR 404 N -1.40 1.11 0.92 -3.49 5.04 -1.26 -4.03 117.35 114.23 1th4 s TYR 404 Ca 0.19 -0.36 -0.13 0.00 -2.44 0.00 0.00 57.07 54.34 1th4 s TYR 404 Cb -0.09 -0.85 0.14 0.00 0.35 0.00 0.00 41.96 41.51 1th4 s TYR 404 CO 0.10 -0.21 1.15 -1.25 -1.34 0.00 0.00 175.55 174.01 1th4 s PRO 405 N 0.63 1.09 0.25 4.97 0.04 -1.26 -5.21 135.00 135.51 1th4 s PRO 405 Ca -0.11 0.20 -0.11 0.00 0.04 0.00 0.00 61.00 61.02 1th4 s PRO 405 Cb -0.14 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 1th4 s PRO 405 CO 0.02 -2.21 0.44 0.54 0.04 0.00 0.00 177.00 175.83 1th4 s ASN 406 N -4.15 -0.03 -0.28 6.66 2.20 -1.26 -5.06 114.94 113.02 1th4 s ASN 406 Ca 0.65 -1.00 0.08 0.00 -0.94 0.00 0.00 52.86 51.65 1th4 s ASN 406 Cb -0.13 0.57 0.45 0.00 -2.00 0.00 0.00 41.25 40.14 1th4 s ASN 406 CO 0.53 -1.12 1.28 -1.20 -2.94 0.00 0.00 177.10 173.65 1th4 n SER 407 N -0.41 3.45 -2.08 3.54 7.64 -1.26 -4.68 113.62 119.82 1th4 n SER 407 Ca -0.01 -3.82 -0.07 0.00 1.01 0.00 0.00 58.87 55.98 1th4 n SER 407 Cb 0.62 -0.49 0.06 0.00 -1.01 0.00 0.00 64.21 63.39 1th4 n SER 407 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1th4 n PHE 408 N -0.94 1.45 -1.44 1.43 3.01 -1.26 -4.99 117.46 114.72 1th4 n PHE 408 Ca 0.34 -1.86 -0.14 0.00 1.01 0.00 0.00 57.45 56.80 1th4 n PHE 408 Cb 0.86 -0.26 -0.06 0.00 -0.01 0.00 0.00 39.48 40.01 1th4 n PHE 408 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1th4 n SER 409 N -0.55 -3.59 -4.00 4.37 7.64 -1.26 -4.87 113.62 111.35 1th4 n SER 409 Ca 0.21 0.33 -0.29 0.00 1.01 0.00 0.00 58.87 60.13 1th4 n SER 409 Cb 0.89 -3.33 0.25 0.00 -1.01 0.00 0.00 64.21 61.01 1th4 n SER 409 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1th4 s ALA 410 N -2.17 -0.16 -0.10 -0.43 0.00 -1.26 -4.84 121.76 112.80 1th4 s ALA 410 Ca 0.00 -0.60 -0.41 0.00 0.00 0.00 0.00 51.96 50.94 1th4 s ALA 410 Cb 0.00 -3.04 -0.20 0.00 0.00 0.00 0.00 23.12 19.88 1th4 s ALA 410 CO 0.00 -3.93 1.18 -2.30 0.00 0.00 0.00 175.76 170.71 1th4 n PRO 411 N -5.04 0.02 -3.45 0.00 -0.02 -1.26 -4.98 135.00 120.27 1th4 n PRO 411 Ca 0.09 0.01 -0.20 0.00 -2.02 0.00 0.00 63.50 61.37 1th4 n PRO 411 Cb 0.58 -1.51 -0.02 0.00 -0.02 0.00 0.00 33.50 32.53 1th4 n PRO 411 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1th4 s GLU 412 N 0.63 2.56 0.36 -0.52 0.41 -1.26 -5.03 118.70 115.84 1th4 s GLU 412 Ca 0.94 -1.52 0.08 0.00 -0.41 0.00 0.00 54.97 54.05 1th4 s GLU 412 Cb -1.31 -2.45 -0.03 0.00 -1.78 0.00 0.00 34.13 28.57 1th4 s GLU 412 CO 0.62 -0.28 0.29 -3.38 -0.49 0.00 0.00 175.26 172.03 1th4 s HIS 413 N -2.48 2.83 -0.26 1.61 -3.43 -1.26 -5.11 115.29 107.19 1th4 s HIS 413 Ca 0.49 -0.36 0.03 0.00 -0.80 0.00 0.00 55.06 54.42 1th4 s HIS 413 Cb -0.05 -1.87 0.06 0.00 -1.43 0.00 0.00 32.58 29.29 1th4 s HIS 413 CO 0.29 0.13 -0.11 -1.14 -2.00 0.00 0.00 174.74 171.91 1th4 s GLN 414 N -4.01 2.26 0.55 -0.38 -0.44 -1.26 -4.98 119.66 111.41 1th4 s GLN 414 Ca 0.42 -1.32 0.23 0.00 -2.50 0.00 0.00 55.36 52.19 1th4 s GLN 414 Cb -0.05 -2.87 1.51 0.00 -1.64 0.00 0.00 33.01 29.97 1th4 s GLN 414 CO 0.26 -0.55 2.17 -1.00 0.50 0.00 0.00 175.29 176.67 1th4 h PRO 415 N 7.78 0.00 -0.89 1.67 0.13 -2.01 -1.62 132.00 137.07 1th4 h PRO 415 Ca -0.20 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 65.15 1th4 h PRO 415 Cb 1.05 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.12 1th4 h PRO 415 CO 0.47 0.00 0.60 0.77 -0.23 0.00 0.00 178.00 179.61 1th4 h SER 416 N 0.00 0.27 -0.29 1.44 0.02 -2.05 0.18 113.55 113.12 1th4 h SER 416 Ca 0.03 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1th4 h SER 416 Cb 0.13 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1th4 h SER 416 CO -0.00 0.10 0.00 0.00 -1.14 0.00 0.00 176.83 175.79 1th4 n ALA 417 N -2.58 3.06 -1.78 3.77 0.00 -0.61 -4.94 120.51 117.44 1th4 n ALA 417 Ca 0.19 -0.87 -0.35 0.00 0.00 0.00 0.00 53.44 52.41 1th4 n ALA 417 Cb 0.78 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 1th4 n ALA 417 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1th4 s LEU 418 N -1.27 3.81 0.25 0.00 1.43 0.62 -4.99 118.68 118.53 1th4 s LEU 418 Ca 0.26 2.12 -0.30 0.00 -1.03 0.00 0.00 54.13 55.18 1th4 s LEU 418 Cb 0.19 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.78 1th4 s LEU 418 CO 0.09 -1.05 0.96 -1.61 0.23 0.00 0.00 176.35 174.97 1th4 s GLU 419 N -3.19 4.80 0.35 1.70 8.01 -1.26 -5.00 118.70 124.11 1th4 s GLU 419 Ca 0.70 1.52 -0.28 0.00 0.01 0.00 0.00 54.97 56.92 1th4 s GLU 419 Cb -0.22 -3.22 -0.12 0.00 -4.31 0.00 0.00 34.13 26.25 1th4 s GLU 419 CO 0.26 0.46 1.39 1.58 0.01 0.00 0.00 175.26 178.95 1th4 n HIS 420 N 1.37 2.61 -3.53 1.61 -0.00 -1.26 -4.95 115.22 111.06 1th4 n HIS 420 Ca -0.02 0.50 -0.40 0.00 -0.00 0.00 0.00 57.72 57.80 1th4 n HIS 420 Cb 0.47 -2.47 -0.11 0.00 -0.00 0.00 0.00 29.99 27.88 1th4 n HIS 420 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1th4 s ARG 421 N -1.91 3.48 -0.11 1.57 0.52 -1.26 -5.07 118.95 116.17 1th4 s ARG 421 Ca 0.55 -0.66 -0.02 0.00 -0.52 0.00 0.00 55.73 55.08 1th4 s ARG 421 Cb -0.53 -3.81 -0.03 0.00 0.52 0.00 0.00 34.95 31.10 1th4 s ARG 421 CO 0.62 -0.45 -0.03 0.99 0.02 0.00 0.00 175.30 176.45 1th4 s THR 422 N 1.72 4.02 -0.41 0.02 2.01 -1.26 -5.08 115.64 116.65 1th4 s THR 422 Ca 0.06 -0.34 -0.21 0.00 0.31 0.00 0.00 61.69 61.51 1th4 s THR 422 Cb -0.17 -2.71 0.02 0.00 0.01 0.00 0.00 72.50 69.65 1th4 s THR 422 CO 0.10 0.56 0.68 -2.28 -0.69 0.00 0.00 174.62 172.99 1th4 s HIS 423 N -0.38 3.07 -0.25 4.92 2.46 -1.26 -5.03 115.29 118.83 1th4 s HIS 423 Ca 0.06 0.14 -0.06 0.00 0.47 0.00 0.00 55.06 55.67 1th4 s HIS 423 Cb -0.12 -3.37 -0.02 0.00 -0.13 0.00 0.00 32.58 28.94 1th4 s HIS 423 CO 0.02 -0.82 0.05 -0.06 -2.47 0.00 0.00 174.74 171.45 1th4 s PHE 424 N 2.91 3.06 0.26 3.88 0.08 -1.26 -5.09 117.98 121.83 1th4 s PHE 424 Ca 0.25 -0.63 0.09 0.00 0.12 0.00 0.00 56.93 56.76 1th4 s PHE 424 Cb -0.14 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.06 1th4 s PHE 424 CO 0.19 -0.44 0.07 0.45 -0.10 0.00 0.00 175.22 175.39 1th4 s SER 425 N 1.57 4.92 0.00 1.36 0.15 -1.26 -5.07 113.70 115.36 1th4 s SER 425 Ca 0.06 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1th4 s SER 425 Cb -0.15 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.10 1th4 s SER 425 CO 0.02 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1th4 n GLY 426 N -1.00 3.25 3.12 9.45 0.00 -1.26 -5.08 105.19 113.67 1th4 n GLY 426 Ca -0.07 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 43.96 1th4 n GLY 426 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1th4 n ASP 427 N 0.00 -2.70 -4.05 1.61 2.03 -1.26 -4.97 116.55 107.22 1th4 n ASP 427 Ca 0.00 -0.20 -0.32 0.00 0.52 0.00 0.00 54.79 54.79 1th4 n ASP 427 Cb 0.00 -0.79 -0.15 0.00 -0.72 0.00 0.00 41.12 39.46 1th4 n ASP 427 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1th4 s VAL 428 N -2.13 2.32 0.21 5.18 1.01 -1.26 -5.07 120.40 120.66 1th4 s VAL 428 Ca 0.44 -2.07 -0.11 0.00 0.00 0.00 0.00 61.98 60.24 1th4 s VAL 428 Cb -0.05 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.79 1th4 s VAL 428 CO 0.52 -0.40 0.54 0.00 0.00 0.00 0.00 175.10 175.77 1th4 n GLN 429 N 4.34 0.63 -2.90 2.72 10.64 -1.26 -5.11 117.38 126.44 1th4 n GLN 429 Ca -0.03 -1.27 -0.43 0.00 -1.83 0.00 0.00 57.00 53.43 1th4 n GLN 429 Cb 0.42 1.62 -0.04 0.00 -0.86 0.00 0.00 30.24 31.38 1th4 n GLN 429 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1th4 s ARG 430 N -2.05 3.20 -0.23 2.61 0.52 -1.26 -5.01 118.95 116.72 1th4 s ARG 430 Ca 0.11 -1.07 -0.25 0.00 -0.52 0.00 0.00 55.73 54.00 1th4 s ARG 430 Cb -0.03 -4.37 -0.00 0.00 0.52 0.00 0.00 34.95 31.07 1th4 s ARG 430 CO 0.06 -1.78 0.85 -0.06 0.02 0.00 0.00 175.30 174.40 1th4 s PHE 431 N 3.66 3.33 0.25 -0.53 0.08 -1.26 -5.00 117.98 118.50 1th4 s PHE 431 Ca 0.23 1.19 -0.31 0.00 0.12 0.00 0.00 56.93 58.16 1th4 s PHE 431 Cb -0.15 -3.07 -0.12 0.00 -0.57 0.00 0.00 43.02 39.10 1th4 s PHE 431 CO 0.06 -0.39 1.58 -1.71 -0.10 0.00 0.00 175.22 174.66 1th4 n ASN 432 N 5.93 3.58 0.00 1.36 4.05 -1.26 -4.91 115.26 124.02 1th4 n ASN 432 Ca 0.06 1.12 0.00 0.00 0.45 0.00 0.00 54.58 56.21 1th4 n ASN 432 Cb 0.47 -1.54 0.00 0.00 1.23 0.00 0.00 39.78 39.95 1th4 n ASN 432 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1th4 n SER 433 N 2.63 1.79 0.26 1.20 7.64 -1.26 -4.68 113.62 121.20 1th4 n SER 433 Ca 0.11 -1.88 0.14 0.00 1.01 0.00 0.00 58.87 58.26 1th4 n SER 433 Cb 0.34 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 64.21 1th4 n SER 433 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1th4 h ALA 434 N 0.00 1.08 -2.79 -0.43 0.00 -1.97 -3.31 119.26 111.84 1th4 h ALA 434 Ca 0.00 -0.10 -0.65 0.00 0.00 0.00 0.00 54.91 54.16 1th4 h ALA 434 Cb 0.52 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 17.90 1th4 h ALA 434 CO 0.00 0.13 -0.35 0.09 0.00 0.00 0.00 179.25 179.12 1th4 n ASN 435 N -3.33 3.71 -0.51 0.00 5.03 -1.26 -4.70 115.26 114.21 1th4 n ASN 435 Ca -0.00 -3.24 0.04 0.00 0.87 0.00 0.00 54.58 52.25 1th4 n ASN 435 Cb 0.31 -0.86 0.06 0.00 -1.02 0.00 0.00 39.78 38.27 1th4 n ASN 435 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1th4 n ASP 436 N 1.83 1.00 -1.28 6.41 9.92 -1.25 -5.07 116.55 128.12 1th4 n ASP 436 Ca 0.23 -2.50 0.00 0.00 -0.53 0.00 0.00 54.79 51.99 1th4 n ASP 436 Cb 0.37 -0.31 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 1th4 n ASP 436 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1th4 n ASP 437 N -0.47 -5.12 -0.86 -2.24 2.03 -1.26 -4.74 116.55 103.89 1th4 n ASP 437 Ca 0.07 0.65 0.04 0.00 0.52 0.00 0.00 54.79 56.08 1th4 n ASP 437 Cb 0.74 -2.80 0.08 0.00 -0.72 0.00 0.00 41.12 38.42 1th4 n ASP 437 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1th4 n ASN 438 N 0.83 1.14 0.00 1.67 0.23 -1.26 -4.83 115.26 113.04 1th4 n ASN 438 Ca 0.00 -2.62 0.00 0.00 -0.53 0.00 0.00 54.58 51.43 1th4 n ASN 438 Cb 0.00 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.35 1th4 n ASN 438 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1th4 n VAL 439 N -0.28 0.00 0.17 3.53 0.24 -1.26 -4.42 118.33 116.31 1th4 n VAL 439 Ca 0.09 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.32 1th4 n VAL 439 Cb 0.87 -0.02 -0.04 0.00 -1.47 0.00 0.00 33.84 33.18 1th4 n VAL 439 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1th4 h THR 440 N 0.00 0.00 -0.97 3.34 2.02 -1.95 -1.54 112.91 113.82 1th4 h THR 440 Ca 0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1th4 h THR 440 Cb 0.04 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.36 1th4 h THR 440 CO 0.00 0.00 0.60 1.56 0.37 0.00 0.00 175.52 178.05 1th4 h GLN 441 N -0.47 0.91 0.19 6.66 4.20 -1.94 -2.48 115.11 122.18 1th4 h GLN 441 Ca -0.04 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.62 1th4 h GLN 441 Cb 0.37 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 1th4 h GLN 441 CO 0.05 0.60 -0.47 0.28 -0.67 0.00 0.00 178.83 178.62 1th4 h VAL 442 N 0.94 0.08 -1.03 -0.54 2.07 -1.83 -1.69 116.25 114.24 1th4 h VAL 442 Ca 0.48 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.29 1th4 h VAL 442 Cb 0.50 0.08 -0.13 0.00 -1.52 0.00 0.00 31.29 30.22 1th4 h VAL 442 CO -0.27 0.00 0.62 -0.09 0.02 0.00 0.00 177.57 177.84 1th4 h ARG 443 N -0.75 0.43 0.00 1.57 2.43 -0.81 0.28 114.38 117.52 1th4 h ARG 443 Ca -0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1th4 h ARG 443 Cb 0.74 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1th4 h ARG 443 CO -0.23 0.28 -0.05 1.15 -1.51 0.00 0.00 179.97 179.61 1th4 h THR 444 N 0.44 0.67 0.00 0.20 2.02 -1.16 -1.09 112.91 113.99 1th4 h THR 444 Ca 0.67 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.65 1th4 h THR 444 Cb 1.50 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 1th4 h THR 444 CO -0.48 0.05 0.00 0.33 0.37 0.00 0.00 175.52 175.79 1th4 n PHE 445 N -3.94 0.00 -0.41 3.16 7.35 0.98 -0.40 117.46 124.20 1th4 n PHE 445 Ca -0.03 0.00 0.36 0.00 -0.76 0.00 0.00 57.45 57.02 1th4 n PHE 445 Cb 0.14 -0.46 0.63 0.00 0.35 0.00 0.00 39.48 40.14 1th4 n PHE 445 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 1th4 h TYR 446 N 0.00 0.65 0.00 -5.13 3.20 -1.44 0.26 116.97 114.51 1th4 h TYR 446 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1th4 h TYR 446 Cb 0.00 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1th4 h TYR 446 CO 0.06 -0.33 0.00 1.28 -1.64 0.00 0.00 178.16 177.53 1th4 n LEU 447 N -4.93 0.45 0.00 2.82 4.77 -0.42 -4.41 117.00 115.28 1th4 n LEU 447 Ca 0.39 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1th4 n LEU 447 Cb 1.41 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 42.21 1th4 n LEU 447 CO 0.12 -0.30 0.22 1.17 -1.33 0.00 0.00 177.39 177.27 1th4 n LYS 448 N -1.83 0.00 -0.26 3.23 3.00 0.46 -3.63 118.16 119.13 1th4 n LYS 448 Ca 0.00 0.03 0.33 0.00 -0.00 0.00 0.00 58.31 58.67 1th4 n LYS 448 Cb 0.00 -0.94 0.72 0.00 0.00 0.00 0.00 35.03 34.81 1th4 n LYS 448 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1th4 h VAL 449 N 0.00 0.35 -2.82 3.15 2.07 -1.25 -3.40 116.25 114.35 1th4 h VAL 449 Ca 0.00 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.85 1th4 h VAL 449 Cb 0.00 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.08 1th4 h VAL 449 CO 0.00 0.00 -0.51 -0.22 0.02 0.00 0.00 177.57 176.86 1th4 s LEU 450 N -8.01 4.20 0.33 2.57 2.96 0.88 -5.02 118.68 116.60 1th4 s LEU 450 Ca -0.05 0.37 0.07 0.00 -0.22 0.00 0.00 54.13 54.30 1th4 s LEU 450 Cb 0.21 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 1th4 s LEU 450 CO 0.74 0.38 0.46 0.54 -1.32 0.00 0.00 176.35 177.15 1th4 s ASN 451 N -1.14 5.95 0.22 3.68 4.22 -1.26 -4.49 114.94 122.12 1th4 s ASN 451 Ca 0.16 -0.19 -0.11 0.00 -2.14 0.00 0.00 52.86 50.58 1th4 s ASN 451 Cb -0.12 -1.23 0.31 0.00 1.28 0.00 0.00 41.25 41.49 1th4 s ASN 451 CO 0.06 -0.42 1.65 -0.08 -2.04 0.00 0.00 177.10 176.27 1th4 h GLU 452 N 0.91 0.09 0.00 3.55 4.57 -1.92 -0.10 114.58 121.67 1th4 h GLU 452 Ca -0.46 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 1th4 h GLU 452 Cb 1.26 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1th4 h GLU 452 CO 0.53 0.06 0.00 0.39 -1.18 0.00 0.00 179.01 178.81 1th4 n GLU 453 N -5.32 0.00 -0.34 1.92 4.71 -1.26 -1.98 120.64 118.36 1th4 n GLU 453 Ca 0.10 0.63 0.09 0.00 -0.01 0.00 0.00 57.16 57.97 1th4 n GLU 453 Cb 0.37 -1.42 0.27 0.00 -1.01 0.00 0.00 31.44 29.65 1th4 n GLU 453 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1th4 h GLN 454 N 0.00 0.80 -1.08 3.49 4.20 -1.96 0.17 115.11 120.74 1th4 h GLN 454 Ca 0.00 -0.05 0.33 0.00 0.06 0.00 0.00 58.65 58.99 1th4 h GLN 454 Cb 0.00 -0.18 -0.13 0.00 0.30 0.00 0.00 27.48 27.47 1th4 h GLN 454 CO 0.00 0.53 0.65 -0.09 -0.67 0.00 0.00 178.83 179.25 1th4 h ARG 455 N 0.83 0.30 -0.10 1.46 2.43 -0.63 0.67 114.38 119.33 1th4 h ARG 455 Ca 0.52 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.62 1th4 h ARG 455 Cb 0.69 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1th4 h ARG 455 CO -0.33 0.20 -0.17 -0.22 -1.51 0.00 0.00 179.97 177.93 1th4 h LYS 456 N 0.30 0.29 0.00 0.20 3.64 -0.30 -3.09 116.57 117.61 1th4 h LYS 456 Ca 0.72 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1th4 h LYS 456 Cb 1.80 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 1th4 h LYS 456 CO -0.50 0.76 0.00 0.00 -2.27 0.00 0.00 179.45 177.44 1th4 h ARG 457 N -0.15 0.00 0.08 1.90 3.08 -0.83 -1.12 114.38 117.34 1th4 h ARG 457 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1th4 h ARG 457 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1th4 h ARG 457 CO 0.04 0.00 -0.04 1.25 -1.07 0.00 0.00 179.97 180.15 1th4 h LEU 458 N 0.00 -0.09 -0.61 3.04 5.85 -1.27 -2.63 115.31 119.60 1th4 h LEU 458 Ca 0.00 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.84 1th4 h LEU 458 Cb 0.10 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 41.03 1th4 h LEU 458 CO 0.00 0.30 -0.16 0.00 -0.34 0.00 0.00 178.44 178.23 1th4 h GLU 460 N -0.01 0.88 0.05 0.00 5.08 -1.34 0.55 114.58 119.79 1th4 h GLU 460 Ca 0.29 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.44 1th4 h GLU 460 Cb 0.46 -0.20 0.02 0.00 0.50 0.00 0.00 28.75 29.52 1th4 h GLU 460 CO -0.63 0.59 -0.66 -0.91 -1.00 0.00 0.00 179.01 176.39 1th4 h ASN 461 N 0.91 0.50 0.24 1.42 -0.26 -0.20 0.37 115.58 118.57 1th4 h ASN 461 Ca 0.48 -0.82 -0.01 0.00 -0.56 0.00 0.00 56.30 55.39 1th4 h ASN 461 Cb 0.51 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.61 1th4 h ASN 461 CO -0.28 1.27 -0.05 0.40 -1.06 0.00 0.00 177.43 177.71 1th4 h ILE 462 N -0.21 0.39 0.09 2.81 2.04 0.95 -2.68 117.51 120.90 1th4 h ILE 462 Ca -0.10 -0.28 -0.37 0.00 1.00 0.00 0.00 64.86 65.12 1th4 h ILE 462 Cb 1.41 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 1th4 h ILE 462 CO 0.13 0.05 -2.07 0.00 0.00 0.00 0.00 178.15 176.26 1th4 n ALA 463 N -2.23 0.99 0.06 1.87 0.00 0.15 -3.24 120.51 118.11 1th4 n ALA 463 Ca -0.02 -0.69 0.21 0.00 0.00 0.00 0.00 53.44 52.94 1th4 n ALA 463 Cb 0.17 -0.55 0.74 0.00 0.00 0.00 0.00 19.45 19.80 1th4 n ALA 463 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1th4 h GLY 464 N 1.15 0.00 0.00 0.00 0.00 -0.58 -1.53 103.07 102.11 1th4 h GLY 464 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1th4 h GLY 464 CO 0.03 0.00 -0.41 1.57 0.00 0.00 0.00 176.54 177.73 1th4 n HIS 465 N -3.78 0.65 0.09 5.60 -0.00 -1.12 -4.26 115.22 112.40 1th4 n HIS 465 Ca 0.08 0.28 0.03 0.00 -0.00 0.00 0.00 57.72 58.11 1th4 n HIS 465 Cb 0.66 -0.62 0.14 0.00 -0.00 0.00 0.00 29.99 30.17 1th4 n HIS 465 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1th4 n LEU 466 N -4.02 0.14 -0.25 0.27 7.94 -1.10 -2.60 117.00 117.38 1th4 n LEU 466 Ca -0.06 0.35 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 1th4 n LEU 466 Cb 0.21 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 43.88 1th4 n LEU 466 CO 0.09 -0.40 0.13 2.29 -1.11 0.00 0.00 177.39 178.39 1th4 n LYS 467 N -1.64 0.34 0.00 1.96 -0.00 -0.59 -2.07 118.16 116.16 1th4 n LYS 467 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1th4 n LYS 467 Cb 0.39 -1.08 0.00 0.00 -0.00 0.00 0.00 35.03 34.33 1th4 n LYS 467 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1th4 n ASP 468 N -0.09 0.62 -4.63 -5.58 8.00 -1.07 -4.94 116.55 108.86 1th4 n ASP 468 Ca 0.00 -1.14 -0.37 0.00 0.71 0.00 0.00 54.79 53.99 1th4 n ASP 468 Cb 0.04 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.04 1th4 n ASP 468 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th4 s ALA 469 N -0.14 3.56 -0.05 2.24 0.00 -0.88 -4.59 121.76 121.89 1th4 s ALA 469 Ca 0.00 -0.95 -0.15 0.00 0.00 0.00 0.00 51.96 50.86 1th4 s ALA 469 Cb 0.00 -2.34 -0.07 0.00 0.00 0.00 0.00 23.12 20.71 1th4 s ALA 469 CO 0.00 -0.29 0.44 1.04 0.00 0.00 0.00 175.76 176.95 1th4 n GLN 470 N 4.50 0.00 -0.28 0.00 6.02 -1.26 -3.89 117.38 122.48 1th4 n GLN 470 Ca -0.15 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.77 1th4 n GLN 470 Cb 0.52 -0.54 -0.07 0.00 1.02 0.00 0.00 30.24 31.17 1th4 n GLN 470 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1th4 n LEU 471 N 0.80 -0.70 -0.63 1.08 4.32 -1.26 0.19 117.00 120.80 1th4 n LEU 471 Ca 0.08 1.22 0.49 0.00 -0.02 0.00 0.00 56.01 57.78 1th4 n LEU 471 Cb 0.01 -0.18 0.76 0.00 -1.62 0.00 0.00 43.42 42.40 1th4 n LEU 471 CO 0.25 -0.98 1.38 2.22 -1.22 0.00 0.00 177.39 179.04 1th4 n PHE 472 N -4.73 0.17 -0.04 -1.77 1.16 -1.26 0.13 117.46 111.13 1th4 n PHE 472 Ca 0.01 0.17 -0.07 0.00 -1.87 0.00 0.00 57.45 55.69 1th4 n PHE 472 Cb 0.17 -0.64 -0.06 0.00 -1.61 0.00 0.00 39.48 37.34 1th4 n PHE 472 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 1th4 h ILE 473 N 0.00 0.80 -0.92 1.97 2.04 0.17 -3.20 117.51 118.37 1th4 h ILE 473 Ca 0.90 -1.52 0.22 0.00 1.00 0.00 0.00 64.86 65.46 1th4 h ILE 473 Cb 3.44 1.48 -0.17 0.00 -0.74 0.00 0.00 36.82 40.83 1th4 h ILE 473 CO -0.12 0.26 -0.06 1.56 0.00 0.00 0.00 178.15 179.79 1th4 h GLN 474 N -0.98 0.03 0.06 2.37 4.20 0.16 -1.23 115.11 119.71 1th4 h GLN 474 Ca -0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1th4 h GLN 474 Cb 0.46 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1th4 h GLN 474 CO 0.01 0.02 -0.10 0.87 -0.67 0.00 0.00 178.83 178.96 1th4 h LYS 475 N 0.03 -0.16 -0.86 1.46 1.57 -1.04 -1.72 116.57 115.85 1th4 h LYS 475 Ca 0.51 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 59.51 1th4 h LYS 475 Cb 0.93 0.04 -0.16 0.00 0.08 0.00 0.00 32.23 33.12 1th4 h LYS 475 CO -0.87 -0.11 -0.09 1.63 -0.57 0.00 0.00 179.45 179.44 1th4 n LYS 476 N -2.96 -0.07 0.17 3.15 4.76 -0.54 0.68 118.16 123.34 1th4 n LYS 476 Ca -0.02 1.31 -0.14 0.00 -2.87 0.00 0.00 58.31 56.59 1th4 n LYS 476 Cb 0.08 -2.03 -0.07 0.00 -1.84 0.00 0.00 35.03 31.17 1th4 n LYS 476 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1th4 h ALA 477 N 1.72 -0.62 -0.62 7.82 0.00 -0.91 -1.24 119.26 125.41 1th4 h ALA 477 Ca 0.47 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.48 1th4 h ALA 477 Cb 0.88 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1th4 h ALA 477 CO -0.84 -0.90 0.44 0.28 0.00 0.00 0.00 179.25 178.23 1th4 h VAL 478 N -0.61 0.71 -0.07 0.00 2.07 0.11 0.12 116.25 118.58 1th4 h VAL 478 Ca 0.00 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1th4 h VAL 478 Cb 0.59 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1th4 h VAL 478 CO -0.12 0.01 -0.05 0.50 0.02 0.00 0.00 177.57 177.93 1th4 h LYS 479 N 0.04 0.10 0.00 1.57 1.63 0.09 -1.89 116.57 118.12 1th4 h LYS 479 Ca 0.30 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.04 1th4 h LYS 479 Cb 1.13 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 1th4 h LYS 479 CO -0.02 0.16 -0.57 -0.91 -3.45 0.00 0.00 179.45 174.66 1th4 h ASN 480 N 0.10 0.00 -1.07 4.20 4.21 -0.60 -2.89 115.58 119.53 1th4 h ASN 480 Ca 0.02 -0.11 0.34 0.00 1.21 0.00 0.00 56.30 57.77 1th4 h ASN 480 Cb 0.16 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 37.22 1th4 h ASN 480 CO 0.01 0.86 0.64 -0.26 -1.29 0.00 0.00 177.43 177.38 1th4 h PHE 481 N -1.00 0.81 -0.05 1.19 0.05 -1.46 2.44 116.94 118.93 1th4 h PHE 481 Ca -0.06 0.03 -0.19 0.00 3.82 0.00 0.00 57.97 61.57 1th4 h PHE 481 Cb 0.60 -0.21 -0.00 0.00 2.00 0.00 0.00 35.95 38.34 1th4 h PHE 481 CO -0.13 -0.17 -0.79 0.77 -0.18 0.00 0.00 178.31 177.80 1th4 h SER 482 N 0.26 0.46 0.16 2.17 0.02 -1.50 -1.75 113.55 113.38 1th4 h SER 482 Ca 0.74 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1th4 h SER 482 Cb 1.87 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 64.28 1th4 h SER 482 CO -0.54 1.08 -0.01 0.44 -1.14 0.00 0.00 176.83 176.65 1th4 h ASP 483 N 0.24 0.00 0.12 3.07 3.45 0.42 -1.82 116.42 121.90 1th4 h ASP 483 Ca -0.04 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.41 1th4 h ASP 483 Cb 1.39 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.16 1th4 h ASP 483 CO 0.13 0.01 -0.06 0.58 -1.57 0.00 0.00 179.24 178.34 1th4 h VAL 484 N 0.00 0.00 -2.27 -1.35 2.07 0.14 -3.47 116.25 111.36 1th4 h VAL 484 Ca -0.00 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1th4 h VAL 484 Cb 0.10 0.00 -0.24 0.00 -1.52 0.00 0.00 31.29 29.63 1th4 h VAL 484 CO 0.00 0.00 -0.20 -2.28 0.02 0.00 0.00 177.57 175.11 1th4 s HIS 485 N -1.99 -0.99 0.12 1.57 2.46 -0.70 -4.72 115.29 111.03 1th4 s HIS 485 Ca -0.02 1.86 -0.08 0.00 0.47 0.00 0.00 55.06 57.30 1th4 s HIS 485 Cb 0.00 0.52 0.14 0.00 -0.13 0.00 0.00 32.58 33.12 1th4 s HIS 485 CO 0.07 -0.53 0.76 -2.30 -2.47 0.00 0.00 174.74 170.28 1th4 n PRO 486 N 5.01 -0.10 0.09 2.88 -0.01 -1.09 0.60 135.00 142.38 1th4 n PRO 486 Ca -0.14 0.76 -0.03 0.00 -0.01 0.00 0.00 63.50 64.07 1th4 n PRO 486 Cb 0.52 -1.13 0.17 0.00 -0.01 0.00 0.00 33.50 33.05 1th4 n PRO 486 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1th4 h GLU 487 N 0.00 0.22 -0.03 -0.52 4.81 -1.91 -0.80 114.58 116.34 1th4 h GLU 487 Ca 0.19 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1th4 h GLU 487 Cb 0.31 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1th4 h GLU 487 CO -0.49 0.69 -0.45 -0.92 -0.73 0.00 0.00 179.01 177.11 1th4 h TYR 488 N 0.17 -1.33 -0.11 0.92 5.03 -0.09 0.63 116.97 122.18 1th4 h TYR 488 Ca 0.00 0.04 -0.12 0.00 2.58 0.00 0.00 58.73 61.24 1th4 h TYR 488 Cb 0.98 0.58 -0.01 0.00 1.55 0.00 0.00 36.73 39.83 1th4 h TYR 488 CO 0.02 -0.47 -0.47 0.78 -1.32 0.00 0.00 178.16 176.69 1th4 h GLY 489 N -0.54 0.31 0.10 1.82 0.00 -1.59 -2.59 103.07 100.57 1th4 h GLY 489 Ca 0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1th4 h GLY 489 CO -0.32 0.29 -0.16 0.23 0.00 0.00 0.00 176.54 176.58 1th4 h SER 490 N 0.23 -0.45 -0.46 0.19 0.87 0.10 0.45 113.55 114.48 1th4 h SER 490 Ca 0.01 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.71 1th4 h SER 490 Cb 0.92 0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 62.95 1th4 h SER 490 CO 0.08 -0.19 -0.13 0.03 -0.53 0.00 0.00 176.83 176.09 1th4 h ARG 491 N -0.27 -0.01 0.00 2.24 3.08 0.16 -0.09 114.38 119.48 1th4 h ARG 491 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1th4 h ARG 491 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1th4 h ARG 491 CO -0.05 -0.01 0.00 -0.89 -1.07 0.00 0.00 179.97 177.95 1th4 n ILE 492 N -5.35 0.00 -0.41 2.04 2.08 -0.98 -1.05 119.36 115.70 1th4 n ILE 492 Ca 0.04 1.49 0.33 0.00 0.56 0.00 0.00 62.75 65.16 1th4 n ILE 492 Cb 0.25 -2.16 0.62 0.00 -0.75 0.00 0.00 39.64 37.60 1th4 n ILE 492 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1th4 h GLN 493 N 0.00 0.16 -0.17 0.38 5.75 0.38 0.82 115.11 122.43 1th4 h GLN 493 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1th4 h GLN 493 Cb 0.00 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1th4 h GLN 493 CO 0.00 0.11 0.05 0.00 -2.65 0.00 0.00 178.83 176.34 1th4 h ALA 494 N 1.59 0.22 0.56 3.38 0.00 0.44 -3.00 119.26 122.45 1th4 h ALA 494 Ca 0.75 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.50 1th4 h ALA 494 Cb 2.27 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 20.00 1th4 h ALA 494 CO -0.36 -0.16 -0.27 -0.07 0.00 0.00 0.00 179.25 178.40 1th4 h LEU 495 N 0.10 -0.63 -0.67 0.00 3.38 0.23 -3.21 115.31 114.50 1th4 h LEU 495 Ca 0.05 0.02 0.22 0.00 0.09 0.00 0.00 57.88 58.26 1th4 h LEU 495 Cb 0.23 0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.02 1th4 h LEU 495 CO -0.00 -0.42 0.12 0.18 0.09 0.00 0.00 178.44 178.41 1th4 n LEU 496 N -4.20 0.02 -0.29 1.67 7.99 -0.02 -0.24 117.00 121.93 1th4 n LEU 496 Ca -0.09 1.14 0.02 0.00 -0.01 0.00 0.00 56.01 57.06 1th4 n LEU 496 Cb 0.29 -0.46 0.15 0.00 -0.11 0.00 0.00 43.42 43.30 1th4 n LEU 496 CO 0.22 -1.19 1.15 0.44 -1.51 0.00 0.00 177.39 176.51 1th4 h ASP 497 N 0.00 0.71 -0.16 -1.43 3.45 -1.52 -1.99 116.42 115.48 1th4 h ASP 497 Ca 0.46 0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.93 1th4 h ASP 497 Cb 1.05 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.71 1th4 h ASP 497 CO -0.60 0.43 0.00 0.11 -1.57 0.00 0.00 179.24 177.61 1th4 h LYS 498 N 0.84 0.28 0.00 3.56 1.57 -0.72 -2.16 116.57 119.95 1th4 h LYS 498 Ca 0.38 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1th4 h LYS 498 Cb 0.30 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1th4 h LYS 498 CO -0.22 0.50 0.07 1.88 -0.57 0.00 0.00 179.45 181.10 1th4 h TYR 499 N 0.04 0.00 -0.22 -1.35 0.05 -1.37 0.32 116.97 114.44 1th4 h TYR 499 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1th4 h TYR 499 Cb 0.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 1th4 h TYR 499 CO 0.03 0.00 0.00 0.09 -1.05 0.00 0.00 178.16 177.23 1th4 n ASN 500 N -2.54 2.21 0.00 3.88 3.02 -0.79 -5.07 115.26 115.97 1th4 n ASN 500 Ca -0.02 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.32 1th4 n ASN 500 Cb 0.11 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 1th4 n ASN 500 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80