#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oo6 s ASP 2 N 0.00 6.37 0.39 7.83 3.68 -1.26 -4.98 116.67 128.70 1oo6 s ASP 2 Ca 0.00 0.43 0.09 0.00 2.13 0.00 0.00 52.55 55.20 1oo6 s ASP 2 Cb 0.00 -2.19 0.80 0.00 -1.45 0.00 0.00 42.92 40.08 1oo6 s ASP 2 CO 0.00 0.01 1.93 -0.29 0.13 0.00 0.00 175.17 176.95 1oo6 h ILE 3 N 4.91 1.17 -0.09 4.11 6.09 -2.02 -2.20 117.51 129.48 1oo6 h ILE 3 Ca -0.38 -0.73 -0.10 0.00 -1.37 0.00 0.00 64.86 62.28 1oo6 h ILE 3 Cb 1.16 1.16 -0.01 0.00 0.47 0.00 0.00 36.82 39.60 1oo6 h ILE 3 CO 0.72 0.23 -0.38 0.40 -3.07 0.00 0.00 178.15 176.05 1oo6 h ILE 4 N 0.24 1.29 -0.50 2.19 1.08 -1.99 -2.02 117.51 117.80 1oo6 h ILE 4 Ca 0.05 -1.42 -0.09 0.00 -0.39 0.00 0.00 64.86 63.01 1oo6 h ILE 4 Cb 0.34 1.65 -0.02 0.00 -3.07 0.00 0.00 36.82 35.72 1oo6 h ILE 4 CO 0.02 0.42 -0.03 0.28 -0.69 0.00 0.00 178.15 178.15 1oo6 h SER 5 N 0.16 0.88 -0.30 1.72 0.02 -1.82 -2.11 113.55 112.10 1oo6 h SER 5 Ca 0.02 -0.32 -0.13 0.00 -0.84 0.00 0.00 61.79 60.51 1oo6 h SER 5 Cb 0.75 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1oo6 h SER 5 CO 0.06 0.99 -0.31 -0.37 -1.14 0.00 0.00 176.83 176.06 1oo6 h VAL 6 N 0.75 1.28 -0.80 2.27 -1.51 -1.29 -1.15 116.25 115.80 1oo6 h VAL 6 Ca 0.14 -1.46 -0.02 0.00 -1.23 0.00 0.00 66.70 64.13 1oo6 h VAL 6 Cb 0.55 1.32 -0.04 0.00 -2.13 0.00 0.00 31.29 30.99 1oo6 h VAL 6 CO 0.03 0.48 0.41 0.00 -1.23 0.00 0.00 177.57 177.27 1oo6 h ALA 7 N 0.96 1.03 0.00 5.19 0.00 -1.20 0.25 119.26 125.48 1oo6 h ALA 7 Ca 0.08 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1oo6 h ALA 7 Cb 0.85 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1oo6 h ALA 7 CO 0.07 0.56 -0.32 -0.07 0.00 0.00 0.00 179.25 179.50 1oo6 h LEU 8 N 1.12 0.00 0.00 0.00 3.38 -1.31 -3.33 115.31 115.16 1oo6 h LEU 8 Ca 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1oo6 h LEU 8 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1oo6 h LEU 8 CO -0.04 0.32 -1.77 0.29 0.09 0.00 0.00 178.44 177.33 1oo6 n LYS 9 N -3.18 0.65 -1.09 1.13 5.02 -0.44 -4.92 118.16 115.33 1oo6 n LYS 9 Ca 0.03 -0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 55.91 1oo6 n LYS 9 Cb 0.66 -1.60 0.13 0.00 -0.02 0.00 0.00 35.03 34.20 1oo6 n LYS 9 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1oo6 s ARG 10 N -3.43 1.51 0.24 1.97 1.70 0.84 -5.06 118.95 116.72 1oo6 s ARG 10 Ca -0.06 1.12 -0.22 0.00 -0.47 0.00 0.00 55.73 56.09 1oo6 s ARG 10 Cb 0.12 -1.81 0.03 0.00 -0.57 0.00 0.00 34.95 32.72 1oo6 s ARG 10 CO 0.88 -2.15 0.77 -3.38 -1.08 0.00 0.00 175.30 170.34 1oo6 s HIS 11 N -2.84 -0.19 -0.35 5.89 -3.43 -1.26 -5.01 115.29 108.11 1oo6 s HIS 11 Ca 0.63 -0.21 -0.20 0.00 -0.80 0.00 0.00 55.06 54.48 1oo6 s HIS 11 Cb -0.19 0.68 -0.00 0.00 -1.43 0.00 0.00 32.58 31.64 1oo6 s HIS 11 CO 0.57 -1.12 0.61 -1.12 -2.00 0.00 0.00 174.74 171.68 1oo6 s SER 12 N -2.91 6.41 0.07 7.38 0.01 -1.26 -4.50 113.70 118.89 1oo6 s SER 12 Ca 0.11 0.15 -0.31 0.00 1.31 0.00 0.00 55.95 57.22 1oo6 s SER 12 Cb -0.05 -2.31 -0.07 0.00 0.21 0.00 0.00 66.02 63.80 1oo6 s SER 12 CO 0.05 -0.55 1.38 -0.89 0.41 0.00 0.00 173.24 173.65 1oo6 s THR 13 N 2.62 3.51 -0.66 1.44 2.01 -1.02 -4.83 115.64 118.72 1oo6 s THR 13 Ca 0.23 1.03 0.23 0.00 0.31 0.00 0.00 61.69 63.49 1oo6 s THR 13 Cb -0.15 -3.66 -0.12 0.00 0.01 0.00 0.00 72.50 68.59 1oo6 s THR 13 CO 0.14 0.05 1.03 0.29 -0.69 0.00 0.00 174.62 175.44 1oo6 n LYS 14 N 4.52 0.25 -3.64 4.92 4.76 -1.26 -4.69 118.16 123.02 1oo6 n LYS 14 Ca 0.12 -0.01 -0.07 0.00 -2.87 0.00 0.00 58.31 55.49 1oo6 n LYS 14 Cb 0.43 -1.58 -0.07 0.00 -1.84 0.00 0.00 35.03 31.98 1oo6 n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1oo6 s ALA 15 N -3.17 -1.89 0.32 7.82 0.00 -1.26 -4.82 121.76 118.75 1oo6 s ALA 15 Ca 0.04 2.42 0.07 0.00 0.00 0.00 0.00 51.96 54.49 1oo6 s ALA 15 Cb 0.15 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1oo6 s ALA 15 CO 0.80 -0.42 0.36 -0.06 0.00 0.00 0.00 175.76 176.45 1oo6 s PHE 16 N 1.72 3.07 -0.39 0.00 0.08 -1.26 -1.55 117.98 119.65 1oo6 s PHE 16 Ca -0.10 -0.22 -0.13 0.00 0.12 0.00 0.00 56.93 56.60 1oo6 s PHE 16 Cb -0.05 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.61 1oo6 s PHE 16 CO -0.20 0.17 0.26 0.34 -0.10 0.00 0.00 175.22 175.70 1oo6 s ASP 17 N -4.05 5.97 0.55 1.36 -1.08 -0.21 -4.48 116.67 114.73 1oo6 s ASP 17 Ca 0.41 -0.90 0.24 0.00 -0.52 0.00 0.00 52.55 51.77 1oo6 s ASP 17 Cb -0.08 -2.11 1.45 0.00 -1.46 0.00 0.00 42.92 40.72 1oo6 s ASP 17 CO 0.28 -0.41 2.08 0.00 0.52 0.00 0.00 175.17 177.64 1oo6 h ALA 18 N 8.55 2.12 0.00 3.66 0.00 -1.87 -2.71 119.26 129.01 1oo6 h ALA 18 Ca -0.27 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1oo6 h ALA 18 Cb 1.12 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1oo6 h ALA 18 CO 0.70 -0.33 -0.56 0.66 0.00 0.00 0.00 179.25 179.72 1oo6 h SER 19 N 0.00 0.00 -2.85 0.00 4.64 -1.94 -3.42 113.55 109.98 1oo6 h SER 19 Ca 0.12 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.86 1oo6 h SER 19 Cb 0.52 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.51 1oo6 h SER 19 CO -0.00 0.56 0.77 -0.54 -0.87 0.00 0.00 176.83 176.76 1oo6 s LYS 20 N -3.21 3.28 0.19 4.77 1.02 -1.02 -5.02 119.74 119.74 1oo6 s LYS 20 Ca 0.01 -0.28 0.05 0.00 0.02 0.00 0.00 55.97 55.77 1oo6 s LYS 20 Cb 0.10 -4.12 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 1oo6 s LYS 20 CO 0.74 -1.78 0.21 0.15 -0.92 0.00 0.00 175.35 173.75 1oo6 s LYS 21 N 4.65 3.09 0.59 1.68 3.01 -1.26 -4.41 119.74 127.08 1oo6 s LYS 21 Ca 0.32 -0.83 -0.18 0.00 -1.01 0.00 0.00 55.97 54.27 1oo6 s LYS 21 Cb -0.11 -2.73 -0.04 0.00 -1.01 0.00 0.00 37.83 33.94 1oo6 s LYS 21 CO 0.17 0.47 1.14 -0.51 0.51 0.00 0.00 175.35 177.13 1oo6 s LEU 22 N -3.37 3.63 0.64 3.17 1.43 -1.26 -5.02 118.68 117.90 1oo6 s LEU 22 Ca 0.32 2.17 -0.11 0.00 -1.03 0.00 0.00 54.13 55.48 1oo6 s LEU 22 Cb -0.10 -4.58 -0.03 0.00 0.03 0.00 0.00 46.19 41.52 1oo6 s LEU 22 CO 0.25 -1.42 1.04 0.42 0.23 0.00 0.00 176.35 176.87 1oo6 s THR 23 N -1.90 4.55 0.47 5.49 -4.23 -1.26 -4.82 115.64 113.95 1oo6 s THR 23 Ca 0.72 0.83 0.17 0.00 -1.18 0.00 0.00 61.69 62.23 1oo6 s THR 23 Cb -0.24 -3.77 0.33 0.00 1.34 0.00 0.00 72.50 70.16 1oo6 s THR 23 CO 0.32 -1.08 2.02 -0.65 -0.54 0.00 0.00 174.62 174.68 1oo6 h PRO 24 N -0.41 0.24 -0.29 3.99 0.11 -1.99 -0.47 132.00 133.18 1oo6 h PRO 24 Ca -0.44 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 1oo6 h PRO 24 Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1oo6 h PRO 24 CO 0.61 0.16 -0.43 1.49 -0.21 0.00 0.00 178.00 179.61 1oo6 h GLU 25 N 0.24 0.74 -0.17 1.05 4.81 -1.99 -2.17 114.58 117.08 1oo6 h GLU 25 Ca 0.22 -0.40 -0.19 0.00 -0.13 0.00 0.00 59.36 58.86 1oo6 h GLU 25 Cb 0.55 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 1oo6 h GLU 25 CO -0.04 1.02 -0.65 1.96 -0.73 0.00 0.00 179.01 180.57 1oo6 h GLN 26 N 0.59 0.63 -0.45 1.92 4.20 -1.63 -1.22 115.11 119.16 1oo6 h GLN 26 Ca 0.04 -0.45 -0.04 0.00 0.06 0.00 0.00 58.65 58.26 1oo6 h GLN 26 Cb 0.99 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.82 1oo6 h GLN 26 CO 0.09 1.07 0.11 0.00 -0.67 0.00 0.00 178.83 179.43 1oo6 h ALA 27 N 0.82 1.36 -0.09 3.87 0.00 -1.02 -0.62 119.26 123.57 1oo6 h ALA 27 Ca -0.01 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1oo6 h ALA 27 Cb 1.23 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1oo6 h ALA 27 CO 0.13 0.46 -0.50 1.49 0.00 0.00 0.00 179.25 180.83 1oo6 h GLU 28 N 0.65 0.49 -0.68 0.00 4.57 -1.26 -3.26 114.58 115.10 1oo6 h GLU 28 Ca 0.15 -0.41 0.06 0.00 -1.18 0.00 0.00 59.36 57.97 1oo6 h GLU 28 Cb 0.24 0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 1oo6 h GLU 28 CO -0.00 1.04 0.45 1.96 -1.18 0.00 0.00 179.01 181.28 1oo6 h GLN 29 N 0.08 0.70 -0.72 1.92 4.20 -0.71 -1.76 115.11 118.81 1oo6 h GLN 29 Ca -0.04 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1oo6 h GLN 29 Cb 1.15 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.74 1oo6 h GLN 29 CO 0.10 0.46 0.26 0.82 -0.67 0.00 0.00 178.83 179.80 1oo6 h ILE 30 N 0.72 1.25 0.00 2.54 5.03 -1.17 -2.18 117.51 123.70 1oo6 h ILE 30 Ca 0.29 -0.83 -0.13 0.00 -0.12 0.00 0.00 64.86 64.07 1oo6 h ILE 30 Cb 0.22 0.42 -0.02 0.00 -3.03 0.00 0.00 36.82 34.41 1oo6 h ILE 30 CO -0.09 0.33 -0.62 0.11 -0.68 0.00 0.00 178.15 177.20 1oo6 h LYS 31 N 1.05 0.00 -0.46 2.37 1.57 -1.38 -2.68 116.57 117.05 1oo6 h LYS 31 Ca 0.24 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 1oo6 h LYS 31 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1oo6 h LYS 31 CO -0.01 0.62 -0.23 1.15 -0.57 0.00 0.00 179.45 180.41 1oo6 h THR 32 N 0.00 1.27 -0.19 -0.16 2.02 -1.08 -2.28 112.91 112.48 1oo6 h THR 32 Ca -0.01 -1.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.77 1oo6 h THR 32 Cb 1.12 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1oo6 h THR 32 CO 0.08 0.47 0.05 -0.07 0.37 0.00 0.00 175.52 176.43 1oo6 h LEU 33 N 0.81 0.29 -0.82 2.58 3.38 -1.24 -0.93 115.31 119.37 1oo6 h LEU 33 Ca 0.10 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1oo6 h LEU 33 Cb 0.79 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1oo6 h LEU 33 CO 0.07 0.43 0.54 -0.07 0.09 0.00 0.00 178.44 179.49 1oo6 h LEU 34 N 0.13 0.95 -0.27 1.67 3.38 -1.44 -3.04 115.31 116.69 1oo6 h LEU 34 Ca 0.06 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1oo6 h LEU 34 Cb 0.25 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1oo6 h LEU 34 CO -0.00 0.69 -0.25 -0.61 0.09 0.00 0.00 178.44 178.36 1oo6 h GLN 35 N 1.11 0.64 -0.08 1.13 4.15 -1.23 -3.30 115.11 117.52 1oo6 h GLN 35 Ca 0.30 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1oo6 h GLN 35 Cb -0.12 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.58 1oo6 h GLN 35 CO -0.06 0.93 0.00 0.66 -1.93 0.00 0.00 178.83 178.43 1oo6 n TYR 36 N -4.32 0.10 -2.01 3.99 4.02 -0.37 -4.92 117.16 113.65 1oo6 n TYR 36 Ca -0.04 -0.05 -0.39 0.00 -0.01 0.00 0.00 57.90 57.41 1oo6 n TYR 36 Cb 0.44 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.77 1oo6 n TYR 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1oo6 s SER 37 N -1.51 6.03 0.85 7.72 0.15 -1.16 -5.00 113.70 120.78 1oo6 s SER 37 Ca 0.28 2.64 -0.12 0.00 0.70 0.00 0.00 55.95 59.45 1oo6 s SER 37 Cb 0.14 -2.63 0.10 0.00 -1.71 0.00 0.00 66.02 61.92 1oo6 s SER 37 CO 0.22 -1.04 1.15 -2.16 1.20 0.00 0.00 173.24 172.61 1oo6 s PRO 38 N -2.48 1.63 -0.04 5.44 0.04 -1.26 -5.01 135.00 133.31 1oo6 s PRO 38 Ca 0.62 0.23 -0.29 0.00 0.04 0.00 0.00 61.00 61.59 1oo6 s PRO 38 Cb -0.37 -1.90 0.10 0.00 0.04 0.00 0.00 34.50 32.36 1oo6 s PRO 38 CO 0.47 -1.85 0.84 -1.54 0.04 0.00 0.00 177.00 174.96 1oo6 s SER 39 N -4.29 -0.45 -0.09 6.66 1.04 -1.26 -4.74 113.70 110.56 1oo6 s SER 39 Ca 0.63 0.26 -0.35 0.00 0.48 0.00 0.00 55.95 56.96 1oo6 s SER 39 Cb -0.13 0.42 -0.13 0.00 0.10 0.00 0.00 66.02 66.28 1oo6 s SER 39 CO 0.51 -0.58 1.79 -0.24 0.98 0.00 0.00 173.24 175.70 1oo6 n SER 40 N 0.25 3.10 -1.59 7.02 2.88 -1.26 -0.76 113.62 123.25 1oo6 n SER 40 Ca -0.12 1.01 -0.18 0.00 -1.33 0.00 0.00 58.87 58.25 1oo6 n SER 40 Cb 0.60 -1.32 -0.07 0.00 -0.75 0.00 0.00 64.21 62.67 1oo6 n SER 40 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1oo6 n THR 41 N 4.69 -0.06 -2.36 2.46 -2.24 -1.26 -1.47 114.28 114.05 1oo6 n THR 41 Ca 0.23 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.81 1oo6 n THR 41 Cb 0.25 -1.81 -0.01 0.00 -2.10 0.00 0.00 70.33 66.66 1oo6 n THR 41 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1oo6 n ASN 42 N -1.15 -5.69 -0.00 3.42 4.05 0.06 -4.88 115.26 111.06 1oo6 n ASN 42 Ca -0.19 -0.00 0.07 0.00 0.45 0.00 0.00 54.58 54.91 1oo6 n ASN 42 Cb 0.61 -4.72 0.48 0.00 1.23 0.00 0.00 39.78 37.37 1oo6 n ASN 42 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1oo6 h SER 43 N 0.00 0.38 -6.99 1.20 0.02 -1.43 -3.47 113.55 103.26 1oo6 h SER 43 Ca -0.47 -0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.87 1oo6 h SER 43 Cb 1.35 -0.09 -0.12 0.00 0.14 0.00 0.00 62.40 63.68 1oo6 h SER 43 CO 0.56 0.26 -0.98 0.00 -1.14 0.00 0.00 176.83 175.53 1oo6 n GLN 44 N -4.48 -0.79 -1.12 3.45 6.02 -1.26 -4.79 117.38 114.41 1oo6 n GLN 44 Ca 0.05 0.10 -0.22 0.00 -0.01 0.00 0.00 57.00 56.92 1oo6 n GLN 44 Cb 0.18 -3.22 -0.12 0.00 1.02 0.00 0.00 30.24 28.10 1oo6 n GLN 44 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1oo6 n PRO 45 N -4.77 2.62 -4.26 -1.09 -0.04 -1.26 -4.87 135.00 121.34 1oo6 n PRO 45 Ca -0.24 -1.46 -0.16 0.00 -0.04 0.00 0.00 63.50 61.60 1oo6 n PRO 45 Cb 0.64 -2.28 -0.09 0.00 -0.04 0.00 0.00 33.50 31.73 1oo6 n PRO 45 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1oo6 s TRP 46 N 1.34 1.51 -0.21 0.54 -2.14 -1.26 -1.75 118.94 116.97 1oo6 s TRP 46 Ca 0.68 -1.53 -0.19 0.00 2.66 0.00 0.00 56.10 57.72 1oo6 s TRP 46 Cb 0.27 -0.67 0.06 0.00 -3.10 0.00 0.00 33.47 30.03 1oo6 s TRP 46 CO -0.02 -0.75 0.56 -1.58 -2.66 0.00 0.00 176.95 172.50 1oo6 s HIS 47 N -3.74 -0.65 0.02 1.66 2.46 -0.03 -4.89 115.29 110.13 1oo6 s HIS 47 Ca 0.40 1.54 0.08 0.00 0.47 0.00 0.00 55.06 57.55 1oo6 s HIS 47 Cb 0.04 0.24 -0.02 0.00 -0.13 0.00 0.00 32.58 32.71 1oo6 s HIS 47 CO 0.21 -0.32 -0.23 -0.06 -2.47 0.00 0.00 174.74 171.87 1oo6 s PHE 48 N 0.44 2.05 -0.19 3.88 0.08 -1.26 -0.44 117.98 122.54 1oo6 s PHE 48 Ca -0.01 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.65 1oo6 s PHE 48 Cb -0.04 -1.26 0.02 0.00 -0.57 0.00 0.00 43.02 41.17 1oo6 s PHE 48 CO -0.01 0.06 -0.16 0.42 -0.10 0.00 0.00 175.22 175.42 1oo6 s ILE 49 N -0.71 2.34 -0.27 0.64 1.01 -0.92 -4.98 121.20 118.29 1oo6 s ILE 49 Ca 0.09 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 1oo6 s ILE 49 Cb -0.09 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.38 1oo6 s ILE 49 CO 0.01 0.49 -0.00 -0.69 0.00 0.00 0.00 174.94 174.75 1oo6 s VAL 50 N 1.32 3.27 -0.32 2.92 1.01 -1.26 -1.31 120.40 126.03 1oo6 s VAL 50 Ca 0.05 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1oo6 s VAL 50 Cb -0.14 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1oo6 s VAL 50 CO -0.11 0.10 0.18 0.00 0.00 0.00 0.00 175.10 175.27 1oo6 s ALA 51 N 1.37 3.34 -0.04 5.51 0.00 -0.12 -4.90 121.76 126.93 1oo6 s ALA 51 Ca 0.00 -1.38 0.06 0.00 0.00 0.00 0.00 51.96 50.64 1oo6 s ALA 51 Cb -0.17 -2.46 -0.09 0.00 0.00 0.00 0.00 23.12 20.40 1oo6 s ALA 51 CO -0.02 -0.92 0.08 -1.13 0.00 0.00 0.00 175.76 173.78 1oo6 n SER 52 N 5.01 3.47 -4.83 0.00 3.41 -1.26 -0.98 113.62 118.45 1oo6 n SER 52 Ca -0.13 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.15 1oo6 n SER 52 Cb 0.49 0.97 -0.07 0.00 -0.26 0.00 0.00 64.21 65.34 1oo6 n SER 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1oo6 s THR 53 N -2.30 4.49 0.41 6.66 -4.23 -1.26 -4.87 115.64 114.53 1oo6 s THR 53 Ca -0.03 1.31 0.09 0.00 -1.18 0.00 0.00 61.69 61.88 1oo6 s THR 53 Cb 0.03 -3.62 0.21 0.00 1.34 0.00 0.00 72.50 70.47 1oo6 s THR 53 CO 0.27 -0.26 2.00 -0.33 -0.54 0.00 0.00 174.62 175.76 1oo6 h GLU 54 N 2.08 0.35 -0.07 3.99 4.39 -1.96 0.64 114.58 124.01 1oo6 h GLU 54 Ca -0.49 -0.05 -0.19 0.00 0.34 0.00 0.00 59.36 58.98 1oo6 h GLU 54 Cb 1.18 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 1oo6 h GLU 54 CO 0.63 0.34 -0.75 0.93 -1.16 0.00 0.00 179.01 178.99 1oo6 h GLU 55 N 0.35 0.38 -0.11 2.33 3.07 -1.99 -1.90 114.58 116.72 1oo6 h GLU 55 Ca 0.08 -0.32 -0.05 0.00 -0.50 0.00 0.00 59.36 58.57 1oo6 h GLU 55 Cb 0.15 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1oo6 h GLU 55 CO -0.00 0.97 -0.13 0.78 -1.40 0.00 0.00 179.01 179.22 1oo6 h GLY 56 N 1.33 0.31 1.90 -3.84 0.00 -1.68 -2.84 103.07 98.24 1oo6 h GLY 56 Ca -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1oo6 h GLY 56 CO 0.13 0.30 -0.14 0.50 0.00 0.00 0.00 176.54 177.32 1oo6 h LYS 57 N -0.14 0.13 -0.34 4.80 1.57 -0.93 -2.52 116.57 119.13 1oo6 h LYS 57 Ca 0.01 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1oo6 h LYS 57 Cb 0.67 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1oo6 h LYS 57 CO 0.03 0.27 0.14 0.00 -0.57 0.00 0.00 179.45 179.32 1oo6 h ALA 58 N 1.74 0.45 -0.98 3.86 0.00 -1.24 -1.49 119.26 121.59 1oo6 h ALA 58 Ca 0.03 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1oo6 h ALA 58 Cb 0.32 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1oo6 h ALA 58 CO 0.02 0.05 0.65 0.00 0.00 0.00 0.00 179.25 179.97 1oo6 h ARG 59 N 0.41 1.29 -0.01 0.00 3.08 -1.21 -2.76 114.38 115.18 1oo6 h ARG 59 Ca 0.11 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1oo6 h ARG 59 Cb 0.19 -0.29 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1oo6 h ARG 59 CO -0.01 0.86 0.00 0.28 -1.07 0.00 0.00 179.97 180.03 1oo6 h VAL 60 N 1.33 1.23 0.00 2.04 2.07 -1.26 -2.79 116.25 118.87 1oo6 h VAL 60 Ca 0.36 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1oo6 h VAL 60 Cb -0.16 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1oo6 h VAL 60 CO -0.08 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1oo6 n ALA 61 N -2.24 1.30 0.19 1.67 0.00 -0.58 -1.48 120.51 119.36 1oo6 n ALA 61 Ca -0.08 -0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.42 1oo6 n ALA 61 Cb 0.16 -1.01 0.34 0.00 0.00 0.00 0.00 19.45 18.95 1oo6 n ALA 61 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1oo6 h LYS 62 N 0.00 0.00 0.00 0.00 1.57 -1.24 -2.71 116.57 114.19 1oo6 h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1oo6 h LYS 62 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1oo6 h LYS 62 CO 0.00 0.35 0.00 -1.13 -0.57 0.00 0.00 179.45 178.10 1oo6 n SER 63 N -3.50 0.55 -1.45 0.86 3.41 -0.55 -2.32 113.62 110.62 1oo6 n SER 63 Ca -0.00 0.63 -0.00 0.00 -0.26 0.00 0.00 58.87 59.23 1oo6 n SER 63 Cb 0.50 -0.75 0.27 0.00 -0.26 0.00 0.00 64.21 63.98 1oo6 n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oo6 n ALA 64 N -1.72 3.97 0.18 7.33 0.00 -1.02 -1.50 120.51 127.75 1oo6 n ALA 64 Ca 0.03 -2.49 0.07 0.00 0.00 0.00 0.00 53.44 51.05 1oo6 n ALA 64 Cb 0.24 -0.96 0.21 0.00 0.00 0.00 0.00 19.45 18.94 1oo6 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oo6 h ALA 65 N 2.07 0.85 -3.00 0.00 0.00 -1.58 -1.44 119.26 116.17 1oo6 h ALA 65 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1oo6 h ALA 65 Cb 1.89 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1oo6 h ALA 65 CO 0.49 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.56 1oo6 n GLY 66 N 0.79 -0.80 0.99 0.00 0.00 -1.26 -4.66 105.19 100.25 1oo6 n GLY 66 Ca 0.02 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1oo6 n GLY 66 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1oo6 n ASN 67 N 0.00 2.88 -1.25 1.61 0.23 -1.26 -3.94 115.26 113.54 1oo6 n ASN 67 Ca 0.00 -2.09 0.02 0.00 -0.53 0.00 0.00 54.58 51.99 1oo6 n ASN 67 Cb 0.00 -0.37 0.26 0.00 -2.08 0.00 0.00 39.78 37.59 1oo6 n ASN 67 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1oo6 n TYR 68 N 0.89 1.38 -0.29 -2.53 4.02 -1.25 -4.72 117.16 114.65 1oo6 n TYR 68 Ca 0.17 -1.10 0.08 0.00 -0.01 0.00 0.00 57.90 57.04 1oo6 n TYR 68 Cb 0.49 -0.45 0.24 0.00 -0.02 0.00 0.00 39.34 39.60 1oo6 n TYR 68 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1oo6 h VAL 69 N 1.92 0.66 -0.45 -0.72 2.07 -1.38 -1.22 116.25 117.14 1oo6 h VAL 69 Ca 0.11 -0.19 0.13 0.00 0.82 0.00 0.00 66.70 67.57 1oo6 h VAL 69 Cb 1.72 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1oo6 h VAL 69 CO 0.39 0.10 0.44 2.19 0.02 0.00 0.00 177.57 180.71 1oo6 h PHE 70 N 0.54 0.00 -0.00 1.57 -5.15 -1.84 0.94 116.94 113.00 1oo6 h PHE 70 Ca 0.48 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.25 1oo6 h PHE 70 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.92 1oo6 h PHE 70 CO -0.11 0.00 -0.23 0.09 -2.00 0.00 0.00 178.31 176.05 1oo6 n ASN 71 N -3.83 0.53 -0.19 -0.68 3.02 -0.46 -4.18 115.26 109.46 1oo6 n ASN 71 Ca 0.08 -0.39 -0.08 0.00 -0.03 0.00 0.00 54.58 54.15 1oo6 n ASN 71 Cb 0.63 -0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.81 1oo6 n ASN 71 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1oo6 h GLU 72 N 0.46 0.85 -0.07 3.52 5.08 -0.87 -3.00 114.58 120.55 1oo6 h GLU 72 Ca 0.00 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1oo6 h GLU 72 Cb 0.45 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1oo6 h GLU 72 CO 0.00 0.78 -0.04 0.00 -1.00 0.00 0.00 179.01 178.75 1oo6 h ARG 73 N 0.75 0.09 -0.43 2.33 2.47 -1.74 -2.54 114.38 115.31 1oo6 h ARG 73 Ca 0.17 -0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.75 1oo6 h ARG 73 Cb 0.29 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 1oo6 h ARG 73 CO -0.00 0.14 -0.24 0.87 0.56 0.00 0.00 179.97 181.30 1oo6 h LYS 74 N 0.09 0.90 0.00 0.04 1.57 -1.78 -0.43 116.57 116.97 1oo6 h LYS 74 Ca 0.02 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 1oo6 h LYS 74 Cb 0.14 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1oo6 h LYS 74 CO 0.01 1.04 -0.17 0.52 -0.57 0.00 0.00 179.45 180.28 1oo6 h MET 75 N 0.78 0.00 0.04 3.15 2.86 -1.44 -3.11 114.93 117.20 1oo6 h MET 75 Ca 0.10 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.36 1oo6 h MET 75 Cb 0.80 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.41 1oo6 h MET 75 CO 0.07 0.17 -2.32 1.28 1.06 0.00 0.00 176.91 177.17 1oo6 n LEU 76 N -3.22 2.82 0.19 1.22 4.77 -1.04 -4.47 117.00 117.27 1oo6 n LEU 76 Ca 0.02 -0.02 0.07 0.00 -0.03 0.00 0.00 56.01 56.04 1oo6 n LEU 76 Cb 0.48 -0.95 0.32 0.00 -2.33 0.00 0.00 43.42 40.94 1oo6 n LEU 76 CO 0.33 0.90 0.69 0.44 -1.33 0.00 0.00 177.39 178.42 1oo6 h ASP 77 N 0.02 0.00 -3.97 -1.43 3.45 -1.20 -3.46 116.42 109.84 1oo6 h ASP 77 Ca -0.53 0.00 -0.50 0.00 0.43 0.00 0.00 57.03 56.43 1oo6 h ASP 77 Cb 1.95 0.00 0.05 0.00 -0.56 0.00 0.00 39.33 40.77 1oo6 h ASP 77 CO -0.03 0.34 0.47 0.00 -1.57 0.00 0.00 179.24 178.45 1oo6 s ALA 78 N -3.52 3.05 0.09 3.45 0.00 -1.18 -3.29 121.76 120.37 1oo6 s ALA 78 Ca 0.01 0.87 -0.31 0.00 0.00 0.00 0.00 51.96 52.54 1oo6 s ALA 78 Cb 0.10 -3.35 -0.15 0.00 0.00 0.00 0.00 23.12 19.72 1oo6 s ALA 78 CO 0.68 -0.49 1.63 1.03 0.00 0.00 0.00 175.76 178.61 1oo6 h SER 79 N 2.34 -0.77 -4.12 0.00 0.87 -1.49 -3.44 113.55 106.94 1oo6 h SER 79 Ca -0.49 0.05 -0.51 0.00 -1.23 0.00 0.00 61.79 59.61 1oo6 h SER 79 Cb 1.23 0.24 -0.30 0.00 -0.44 0.00 0.00 62.40 63.13 1oo6 h SER 79 CO 0.61 -0.46 -0.82 -1.00 -0.53 0.00 0.00 176.83 174.63 1oo6 s HIS 80 N -6.05 1.40 -0.18 2.24 3.76 -0.53 -4.50 115.29 111.43 1oo6 s HIS 80 Ca -0.17 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 54.44 1oo6 s HIS 80 Cb 0.05 -0.92 0.03 0.00 1.11 0.00 0.00 32.58 32.85 1oo6 s HIS 80 CO 0.63 -0.07 -0.16 0.08 -0.85 0.00 0.00 174.74 174.38 1oo6 s VAL 81 N -0.20 1.88 -0.19 -0.90 1.01 -0.15 0.14 120.40 121.99 1oo6 s VAL 81 Ca 0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 1oo6 s VAL 81 Cb -0.08 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1oo6 s VAL 81 CO 0.00 0.40 -0.02 0.68 0.00 0.00 0.00 175.10 176.16 1oo6 s VAL 82 N 1.33 3.85 -0.23 2.92 -7.23 -0.36 -0.95 120.40 119.74 1oo6 s VAL 82 Ca 0.02 -0.35 -0.06 0.00 -1.81 0.00 0.00 61.98 59.78 1oo6 s VAL 82 Cb -0.14 -2.72 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 1oo6 s VAL 82 CO -0.11 0.45 0.03 0.54 -0.31 0.00 0.00 175.10 175.70 1oo6 s VAL 83 N 0.87 4.07 -0.17 1.32 0.11 -0.42 0.95 120.40 127.12 1oo6 s VAL 83 Ca 0.00 -0.26 -0.22 0.00 -2.93 0.00 0.00 61.98 58.58 1oo6 s VAL 83 Cb -0.14 -2.87 -0.03 0.00 -1.53 0.00 0.00 36.38 31.81 1oo6 s VAL 83 CO 0.02 0.39 0.66 -0.36 -3.33 0.00 0.00 175.10 172.47 1oo6 s PHE 84 N 1.33 3.41 -0.02 1.54 0.40 0.14 -2.18 117.98 122.61 1oo6 s PHE 84 Ca 0.04 1.01 0.07 0.00 -0.60 0.00 0.00 56.93 57.45 1oo6 s PHE 84 Cb -0.15 -2.82 -0.02 0.00 0.51 0.00 0.00 43.02 40.55 1oo6 s PHE 84 CO 0.02 -0.13 -0.22 0.00 0.70 0.00 0.00 175.22 175.58 1oo6 s ALA 86 N -0.67 3.45 0.47 0.00 0.00 -0.43 -0.85 121.76 123.72 1oo6 s ALA 86 Ca 0.11 -1.04 -0.23 0.00 0.00 0.00 0.00 51.96 50.80 1oo6 s ALA 86 Cb -0.10 -1.35 -0.07 0.00 0.00 0.00 0.00 23.12 21.60 1oo6 s ALA 86 CO -0.00 0.72 1.16 0.15 0.00 0.00 0.00 175.76 177.79 1oo6 s LYS 87 N -2.26 3.72 0.09 0.00 1.02 -0.72 -1.36 119.74 120.23 1oo6 s LYS 87 Ca 0.27 1.76 0.10 0.00 0.02 0.00 0.00 55.97 58.12 1oo6 s LYS 87 Cb -0.12 -2.37 -0.19 0.00 -0.52 0.00 0.00 37.83 34.63 1oo6 s LYS 87 CO 0.19 -0.58 1.11 1.79 -0.92 0.00 0.00 175.35 176.94 1oo6 h THR 88 N 1.81 1.35 -2.75 2.17 1.35 -1.50 -3.46 112.91 111.88 1oo6 h THR 88 Ca -0.49 -3.05 -0.11 0.00 -0.55 0.00 0.00 66.41 62.20 1oo6 h THR 88 Cb 1.25 2.65 -0.23 0.00 -1.73 0.00 0.00 68.15 70.10 1oo6 h THR 88 CO 0.60 0.77 -0.21 0.00 -0.25 0.00 0.00 175.52 176.43 1oo6 s ALA 89 N -2.71 -1.03 -0.57 6.62 0.00 -1.26 -4.51 121.76 118.30 1oo6 s ALA 89 Ca -0.00 0.98 -0.22 0.00 0.00 0.00 0.00 51.96 52.72 1oo6 s ALA 89 Cb 0.09 -0.45 0.06 0.00 0.00 0.00 0.00 23.12 22.82 1oo6 s ALA 89 CO 0.81 -0.23 0.84 1.41 0.00 0.00 0.00 175.76 178.60 1oo6 s MET 90 N -0.26 3.19 0.42 0.00 1.75 -1.26 -5.04 119.30 118.09 1oo6 s MET 90 Ca -0.04 -0.67 -0.04 0.00 -1.25 0.00 0.00 55.69 53.69 1oo6 s MET 90 Cb -0.03 -4.13 -0.04 0.00 2.84 0.00 0.00 34.83 33.47 1oo6 s MET 90 CO 0.02 -1.50 0.69 0.16 -0.65 0.00 0.00 175.02 173.74 1oo6 s ASP 91 N 3.08 6.31 0.57 1.11 1.47 -1.26 -4.99 116.67 122.96 1oo6 s ASP 91 Ca 0.22 0.78 0.35 0.00 1.18 0.00 0.00 52.55 55.09 1oo6 s ASP 91 Cb -0.16 -2.18 1.58 0.00 -0.34 0.00 0.00 42.92 41.82 1oo6 s ASP 91 CO 0.14 -0.44 2.07 0.44 0.68 0.00 0.00 175.17 178.05 1oo6 h ASP 92 N 0.62 0.00 -0.04 2.11 3.45 -1.99 -2.32 116.42 118.25 1oo6 h ASP 92 Ca -0.48 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 56.82 1oo6 h ASP 92 Cb 1.21 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.97 1oo6 h ASP 92 CO 0.62 0.02 -0.53 0.58 -1.57 0.00 0.00 179.24 178.36 1oo6 h VAL 93 N 0.00 1.31 -0.20 -1.35 2.07 -1.99 -1.74 116.25 114.35 1oo6 h VAL 93 Ca -0.00 -1.75 -0.19 0.00 0.82 0.00 0.00 66.70 65.58 1oo6 h VAL 93 Cb 0.41 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1oo6 h VAL 93 CO 0.00 0.55 -0.62 -0.25 0.02 0.00 0.00 177.57 177.27 1oo6 h TRP 94 N 0.48 1.01 -0.21 1.57 2.91 -1.83 -1.54 115.95 118.33 1oo6 h TRP 94 Ca 0.01 -0.41 -0.03 0.00 1.13 0.00 0.00 58.89 59.60 1oo6 h TRP 94 Cb 1.07 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 29.54 1oo6 h TRP 94 CO 0.05 1.22 0.00 -0.07 -1.03 0.00 0.00 178.44 178.61 1oo6 h LEU 95 N 0.50 0.28 -0.15 0.65 4.07 -1.42 -2.00 115.31 117.24 1oo6 h LEU 95 Ca -0.02 -0.04 -0.14 0.00 0.08 0.00 0.00 57.88 57.76 1oo6 h LEU 95 Cb 1.24 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.91 1oo6 h LEU 95 CO 0.13 0.34 -0.46 0.50 -1.08 0.00 0.00 178.44 177.87 1oo6 h LYS 96 N 0.31 0.58 -0.67 1.13 1.63 -1.16 -2.86 116.57 115.52 1oo6 h LYS 96 Ca 0.07 -0.42 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1oo6 h LYS 96 Cb 0.21 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.88 1oo6 h LYS 96 CO 0.00 1.04 0.42 -0.07 -3.45 0.00 0.00 179.45 177.40 1oo6 h LEU 97 N 0.23 0.79 -0.14 5.20 3.38 -0.80 -1.33 115.31 122.64 1oo6 h LEU 97 Ca -0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1oo6 h LEU 97 Cb 1.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1oo6 h LEU 97 CO 0.10 0.60 0.04 0.58 0.09 0.00 0.00 178.44 179.85 1oo6 h VAL 98 N 0.92 1.20 0.00 1.22 2.07 -1.41 -0.58 116.25 119.66 1oo6 h VAL 98 Ca 0.24 -0.61 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 1oo6 h VAL 98 Cb -0.06 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1oo6 h VAL 98 CO -0.05 0.18 -0.43 1.62 0.02 0.00 0.00 177.57 178.92 1oo6 h VAL 99 N 0.04 1.19 -0.10 2.57 3.04 -1.45 -1.62 116.25 119.92 1oo6 h VAL 99 Ca 0.05 -1.53 -0.22 0.00 -1.01 0.00 0.00 66.70 63.99 1oo6 h VAL 99 Cb 0.25 1.85 0.01 0.00 -2.01 0.00 0.00 31.29 31.40 1oo6 h VAL 99 CO 0.00 0.42 -0.80 0.44 -1.01 0.00 0.00 177.57 176.62 1oo6 h ASP 100 N 0.00 0.87 -0.70 3.17 5.19 -1.12 -1.81 116.42 122.02 1oo6 h ASP 100 Ca -0.00 -0.67 -0.07 0.00 -0.62 0.00 0.00 57.03 55.67 1oo6 h ASP 100 Cb 0.82 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 40.04 1oo6 h ASP 100 CO 0.06 1.41 0.16 -0.61 -3.12 0.00 0.00 179.24 177.13 1oo6 h GLN 101 N 0.40 1.13 -0.56 3.56 5.75 -0.97 0.84 115.11 125.26 1oo6 h GLN 101 Ca -0.07 -0.27 -0.09 0.00 -0.15 0.00 0.00 58.65 58.07 1oo6 h GLN 101 Cb 1.45 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.83 1oo6 h GLN 101 CO 0.16 1.00 0.00 0.93 -2.65 0.00 0.00 178.83 178.27 1oo6 h GLU 102 N 1.06 0.96 -0.40 1.69 5.08 -1.24 -0.61 114.58 121.12 1oo6 h GLU 102 Ca 0.22 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1oo6 h GLU 102 Cb 0.38 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1oo6 h GLU 102 CO 0.00 0.94 0.04 0.22 -1.00 0.00 0.00 179.01 179.22 1oo6 h ASP 103 N 0.88 0.65 0.21 1.42 3.58 -0.83 -2.27 116.42 120.07 1oo6 h ASP 103 Ca 0.16 -0.28 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 1oo6 h ASP 103 Cb 0.51 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 1oo6 h ASP 103 CO 0.03 0.76 -0.21 0.00 -2.88 0.00 0.00 179.24 176.94 1oo6 h ALA 104 N 0.91 1.64 -0.10 -0.78 0.00 -0.56 -1.88 119.26 118.50 1oo6 h ALA 104 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1oo6 h ALA 104 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1oo6 h ALA 104 CO 0.01 0.27 0.00 -0.25 0.00 0.00 0.00 179.25 179.28 1oo6 n ASP 105 N -4.28 0.77 -0.65 0.00 10.43 -0.26 -4.92 116.55 117.62 1oo6 n ASP 105 Ca -0.02 -1.70 -0.08 0.00 2.57 0.00 0.00 54.79 55.56 1oo6 n ASP 105 Cb 0.27 -0.07 -0.03 0.00 1.84 0.00 0.00 41.12 43.14 1oo6 n ASP 105 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1oo6 n GLY 106 N 0.88 0.88 0.02 0.44 0.00 -0.70 -4.93 105.19 101.78 1oo6 n GLY 106 Ca 0.12 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.61 1oo6 n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oo6 n ARG 107 N -2.64 0.05 -4.46 1.61 1.74 -0.89 -4.72 116.66 107.34 1oo6 n ARG 107 Ca -0.08 0.07 -0.33 0.00 -0.77 0.00 0.00 57.85 56.74 1oo6 n ARG 107 Cb 0.30 -1.56 -0.15 0.00 -1.02 0.00 0.00 32.46 30.03 1oo6 n ARG 107 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1oo6 s PHE 108 N -3.03 2.83 0.07 -1.55 2.99 -1.26 -5.01 117.98 113.01 1oo6 s PHE 108 Ca 0.12 -0.93 -0.14 0.00 0.00 0.00 0.00 56.93 55.99 1oo6 s PHE 108 Cb 0.17 -1.92 -0.26 0.00 0.00 0.00 0.00 43.02 41.01 1oo6 s PHE 108 CO 0.51 -0.42 1.15 0.00 -0.00 0.00 0.00 175.22 176.46 1oo6 h ALA 109 N 7.30 0.06 -2.29 5.36 0.00 -1.97 -3.48 119.26 124.25 1oo6 h ALA 109 Ca -0.33 -0.74 -0.29 0.00 0.00 0.00 0.00 54.91 53.55 1oo6 h ALA 109 Cb 1.19 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.92 1oo6 h ALA 109 CO 0.58 0.70 -0.66 0.95 0.00 0.00 0.00 179.25 180.81 1oo6 s THR 110 N -3.14 0.68 0.47 0.00 -4.23 -1.26 -5.04 115.64 103.12 1oo6 s THR 110 Ca -0.09 -1.98 0.37 0.00 -1.18 0.00 0.00 61.69 58.80 1oo6 s THR 110 Cb 0.06 -2.16 0.39 0.00 1.34 0.00 0.00 72.50 72.14 1oo6 s THR 110 CO 0.93 -0.44 2.20 1.55 -0.54 0.00 0.00 174.62 178.32 1oo6 h PRO 111 N 2.67 0.00 -0.03 3.99 0.13 -2.01 -2.32 132.00 134.44 1oo6 h PRO 111 Ca -0.37 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.56 1oo6 h PRO 111 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1oo6 h PRO 111 CO 0.63 0.03 -0.84 0.93 -0.23 0.00 0.00 178.00 178.51 1oo6 h GLU 112 N 0.00 0.35 -0.29 0.86 3.07 -1.99 -2.57 114.58 114.02 1oo6 h GLU 112 Ca -0.00 -0.34 -0.09 0.00 -0.50 0.00 0.00 59.36 58.43 1oo6 h GLU 112 Cb 0.20 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1oo6 h GLU 112 CO 0.00 1.01 -0.18 0.00 -1.40 0.00 0.00 179.01 178.44 1oo6 h ALA 113 N 0.88 0.41 -0.64 3.43 0.00 -1.84 -0.97 119.26 120.53 1oo6 h ALA 113 Ca -0.05 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1oo6 h ALA 113 Cb 1.45 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1oo6 h ALA 113 CO 0.14 0.33 0.38 -0.22 0.00 0.00 0.00 179.25 179.88 1oo6 h LYS 114 N 0.37 0.71 -0.40 0.00 3.64 -1.53 0.24 116.57 119.60 1oo6 h LYS 114 Ca 0.06 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1oo6 h LYS 114 Cb 0.72 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1oo6 h LYS 114 CO 0.05 0.47 0.21 0.00 -2.27 0.00 0.00 179.45 177.91 1oo6 h ALA 115 N 1.30 0.51 -0.24 5.00 0.00 -1.28 -1.30 119.26 123.24 1oo6 h ALA 115 Ca 0.27 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1oo6 h ALA 115 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1oo6 h ALA 115 CO -0.13 0.05 -0.09 0.00 0.00 0.00 0.00 179.25 179.08 1oo6 h ALA 116 N 1.06 1.41 -0.09 0.00 0.00 -0.51 0.49 119.26 121.62 1oo6 h ALA 116 Ca 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1oo6 h ALA 116 Cb 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1oo6 h ALA 116 CO -0.02 0.41 -0.07 -0.97 0.00 0.00 0.00 179.25 178.60 1oo6 h ASN 117 N 0.37 0.22 -0.28 0.00 -0.73 -0.62 -1.14 115.58 113.40 1oo6 h ASN 117 Ca 0.08 -0.45 -0.01 0.00 1.87 0.00 0.00 56.30 57.78 1oo6 h ASN 117 Cb 0.38 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.90 1oo6 h ASN 117 CO 0.02 0.62 0.13 -0.78 -0.37 0.00 0.00 177.43 177.05 1oo6 h ASP 118 N -0.19 0.40 -0.24 1.15 3.58 -0.92 -1.44 116.42 118.76 1oo6 h ASP 118 Ca 0.02 -0.03 -0.16 0.00 0.42 0.00 0.00 57.03 57.28 1oo6 h ASP 118 Cb 0.55 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1oo6 h ASP 118 CO 0.02 0.36 -0.47 0.50 -2.88 0.00 0.00 179.24 176.77 1oo6 h LYS 119 N 0.45 0.75 -0.38 0.28 3.64 -0.72 -1.72 116.57 118.86 1oo6 h LYS 119 Ca 0.11 -0.48 -0.11 0.00 -1.27 0.00 0.00 60.65 58.91 1oo6 h LYS 119 Cb 0.08 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1oo6 h LYS 119 CO -0.01 1.10 -0.20 0.78 -2.27 0.00 0.00 179.45 178.85 1oo6 h GLY 120 N 0.48 0.79 0.98 5.01 0.00 -0.63 -0.29 103.07 109.41 1oo6 h GLY 120 Ca 0.01 -0.65 -0.13 0.00 0.00 0.00 0.00 47.33 46.56 1oo6 h GLY 120 CO 0.10 0.59 -0.36 -0.09 0.00 0.00 0.00 176.54 176.78 1oo6 h ARG 121 N 0.64 0.69 -0.55 4.80 2.43 -1.27 -2.65 114.38 118.47 1oo6 h ARG 121 Ca 0.10 -0.41 -0.06 0.00 -0.81 0.00 0.00 59.98 58.80 1oo6 h ARG 121 Cb 0.68 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 1oo6 h ARG 121 CO 0.05 1.02 0.10 0.87 -1.51 0.00 0.00 179.97 180.50 1oo6 h LYS 122 N 0.42 0.88 -0.06 0.20 1.57 -1.19 0.25 116.57 118.64 1oo6 h LYS 122 Ca 0.03 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1oo6 h LYS 122 Cb 0.95 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1oo6 h LYS 122 CO 0.08 0.81 -0.08 0.35 -0.57 0.00 0.00 179.45 180.04 1oo6 h PHE 123 N 0.83 -0.21 -0.42 -1.35 3.57 -0.95 0.41 116.94 118.83 1oo6 h PHE 123 Ca 0.18 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 1oo6 h PHE 123 Cb 0.36 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1oo6 h PHE 123 CO 0.02 -0.13 -0.07 0.74 -2.23 0.00 0.00 178.31 176.65 1oo6 h PHE 124 N -0.12 0.88 -0.31 0.41 -1.00 -1.12 -2.55 116.94 113.14 1oo6 h PHE 124 Ca 0.05 -0.18 -0.08 0.00 2.81 0.00 0.00 57.97 60.57 1oo6 h PHE 124 Cb 0.19 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.51 1oo6 h PHE 124 CO -0.18 0.89 -0.15 0.00 -1.61 0.00 0.00 178.31 177.27 1oo6 h ALA 125 N 0.87 1.18 -0.19 2.45 0.00 -0.13 -3.06 119.26 120.37 1oo6 h ALA 125 Ca 0.11 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1oo6 h ALA 125 Cb 0.58 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1oo6 h ALA 125 CO 0.03 0.52 -0.25 -0.44 0.00 0.00 0.00 179.25 179.12 1oo6 h ASP 126 N 0.49 0.55 -0.40 0.00 3.45 -0.13 -2.91 116.42 117.47 1oo6 h ASP 126 Ca 0.09 -0.50 0.09 0.00 0.43 0.00 0.00 57.03 57.13 1oo6 h ASP 126 Cb 0.54 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.14 1oo6 h ASP 126 CO 0.03 0.94 0.28 -0.03 -1.57 0.00 0.00 179.24 178.89 1oo6 h MET 127 N 0.17 0.12 0.22 3.56 4.05 -1.39 0.29 114.93 121.95 1oo6 h MET 127 Ca 0.02 -0.01 -0.31 0.00 -0.28 0.00 0.00 59.70 59.12 1oo6 h MET 127 Cb 0.81 -0.03 0.03 0.00 -0.80 0.00 0.00 31.60 31.61 1oo6 h MET 127 CO 0.06 0.08 -1.41 0.45 0.23 0.00 0.00 176.91 176.32 1oo6 h HIS 128 N 0.13 0.85 0.19 1.39 3.86 -1.50 -0.64 115.15 119.42 1oo6 h HIS 128 Ca 0.18 -0.62 -0.33 0.00 -1.16 0.00 0.00 60.37 58.44 1oo6 h HIS 128 Cb 0.57 -0.03 0.02 0.00 1.06 0.00 0.00 27.41 29.02 1oo6 h HIS 128 CO -0.00 1.54 -1.60 0.07 0.86 0.00 0.00 177.93 178.81 1oo6 h ARG 129 N 0.03 0.41 0.04 2.45 0.11 -1.27 0.77 114.38 116.92 1oo6 h ARG 129 Ca -0.26 -0.70 -0.17 0.00 0.10 0.00 0.00 59.98 58.95 1oo6 h ARG 129 Cb 2.05 0.26 -0.01 0.00 1.11 0.00 0.00 29.97 33.38 1oo6 h ARG 129 CO 0.23 1.31 -0.91 0.87 0.10 0.00 0.00 179.97 181.57 1oo6 h LYS 130 N 0.11 0.09 0.00 0.08 1.57 -0.62 -3.37 116.57 114.43 1oo6 h LYS 130 Ca -0.29 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.29 1oo6 h LYS 130 Cb 2.10 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.46 1oo6 h LYS 130 CO 0.21 1.07 -0.78 -0.25 -0.57 0.00 0.00 179.45 179.13 1oo6 n ASP 131 N -4.32 1.84 0.15 0.86 10.43 -1.12 -4.56 116.55 119.83 1oo6 n ASP 131 Ca -0.23 0.55 0.13 0.00 2.57 0.00 0.00 54.79 57.81 1oo6 n ASP 131 Cb 0.69 -0.87 0.37 0.00 1.84 0.00 0.00 41.12 43.15 1oo6 n ASP 131 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1oo6 h LEU 132 N -1.00 0.00 -1.60 0.64 3.38 -1.24 -3.48 115.31 112.01 1oo6 h LEU 132 Ca -0.08 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.40 1oo6 h LEU 132 Cb 0.75 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1oo6 h LEU 132 CO -0.05 0.00 -0.84 1.41 0.09 0.00 0.00 178.44 179.05 1oo6 n HIS 133 N -2.56 -1.85 -2.18 1.13 8.25 -0.09 -4.89 115.22 113.03 1oo6 n HIS 133 Ca 0.04 0.81 0.03 0.00 -0.26 0.00 0.00 57.72 58.34 1oo6 n HIS 133 Cb 0.42 -3.86 0.03 0.00 1.12 0.00 0.00 29.99 27.70 1oo6 n HIS 133 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1oo6 n ASP 134 N -2.93 0.70 -0.21 0.41 3.85 0.07 -4.89 116.55 113.54 1oo6 n ASP 134 Ca -0.19 -2.16 0.11 0.00 -0.71 0.00 0.00 54.79 51.84 1oo6 n ASP 134 Cb 0.63 -0.28 0.40 0.00 -1.35 0.00 0.00 41.12 40.52 1oo6 n ASP 134 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 1oo6 h ASP 135 N 0.55 0.59 -0.63 -1.12 3.04 -1.88 0.16 116.42 117.13 1oo6 h ASP 135 Ca -0.11 0.02 -0.04 0.00 -3.24 0.00 0.00 57.03 53.65 1oo6 h ASP 135 Cb 1.61 -0.10 -0.03 0.00 -1.04 0.00 0.00 39.33 39.77 1oo6 h ASP 135 CO 0.05 0.34 0.22 0.00 -2.04 0.00 0.00 179.24 177.80 1oo6 h ALA 136 N 1.61 0.82 0.01 4.15 0.00 -1.90 -0.88 119.26 123.08 1oo6 h ALA 136 Ca 0.38 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 1oo6 h ALA 136 Cb 0.57 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1oo6 h ALA 136 CO -0.15 0.47 -0.91 1.05 0.00 0.00 0.00 179.25 179.71 1oo6 h GLU 137 N 0.89 0.16 -0.53 0.00 9.09 -1.70 -2.00 114.58 120.48 1oo6 h GLU 137 Ca 0.21 -0.19 -0.11 0.00 0.05 0.00 0.00 59.36 59.31 1oo6 h GLU 137 Cb 0.26 0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.40 1oo6 h GLU 137 CO -0.01 0.96 -0.11 2.35 0.05 0.00 0.00 179.01 182.25 1oo6 h TRP 138 N 0.08 1.13 -0.02 2.06 7.01 -0.49 -1.67 115.95 124.06 1oo6 h TRP 138 Ca -0.04 -0.23 -0.16 0.00 2.11 0.00 0.00 58.89 60.56 1oo6 h TRP 138 Cb 1.56 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 28.33 1oo6 h TRP 138 CO 0.03 1.05 -0.74 0.52 -2.79 0.00 0.00 178.44 176.50 1oo6 h MET 139 N 0.90 0.13 -0.28 2.65 2.86 -1.16 -2.94 114.93 117.09 1oo6 h MET 139 Ca 0.14 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 1oo6 h MET 139 Cb 0.67 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1oo6 h MET 139 CO 0.05 0.81 -0.23 0.00 1.06 0.00 0.00 176.91 178.60 1oo6 h ALA 140 N 1.16 1.09 -0.64 6.32 0.00 -1.14 -2.41 119.26 123.64 1oo6 h ALA 140 Ca -0.02 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1oo6 h ALA 140 Cb 1.30 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1oo6 h ALA 140 CO 0.11 0.56 0.18 0.87 0.00 0.00 0.00 179.25 180.97 1oo6 h LYS 141 N 0.46 1.01 -0.71 0.00 1.57 -1.14 -1.35 116.57 116.41 1oo6 h LYS 141 Ca 0.07 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1oo6 h LYS 141 Cb 0.65 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1oo6 h LYS 141 CO 0.05 0.90 0.26 1.96 -0.57 0.00 0.00 179.45 182.05 1oo6 h GLN 142 N 0.94 1.06 -0.42 3.15 1.08 -1.32 -1.09 115.11 118.51 1oo6 h GLN 142 Ca 0.20 -0.19 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 1oo6 h GLN 142 Cb 0.32 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1oo6 h GLN 142 CO -0.00 0.88 -0.05 0.28 -0.95 0.00 0.00 178.83 178.98 1oo6 h VAL 143 N 1.03 1.24 -0.24 -0.54 2.07 -1.01 -1.90 116.25 116.90 1oo6 h VAL 143 Ca 0.24 -1.03 -0.13 0.00 0.82 0.00 0.00 66.70 66.59 1oo6 h VAL 143 Cb 0.23 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1oo6 h VAL 143 CO -0.02 0.35 -0.41 1.88 0.02 0.00 0.00 177.57 179.40 1oo6 h TYR 144 N 0.65 0.69 -0.88 1.57 -1.99 -0.66 -2.04 116.97 114.32 1oo6 h TYR 144 Ca 0.12 -0.20 -0.02 0.00 2.00 0.00 0.00 58.73 60.63 1oo6 h TYR 144 Cb 0.48 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 39.02 1oo6 h TYR 144 CO 0.02 0.89 0.48 1.25 -0.00 0.00 0.00 178.16 180.80 1oo6 h LEU 145 N 0.47 1.10 -1.06 3.88 6.46 -0.78 -0.53 115.31 124.86 1oo6 h LEU 145 Ca 0.04 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 1oo6 h LEU 145 Cb 0.91 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.53 1oo6 h LEU 145 CO 0.08 0.89 0.34 -1.13 -0.62 0.00 0.00 178.44 178.00 1oo6 h ASN 146 N 1.23 0.91 -0.44 1.25 -0.73 -0.91 -1.75 115.58 115.14 1oo6 h ASN 146 Ca 0.31 -0.10 -0.08 0.00 1.87 0.00 0.00 56.30 58.31 1oo6 h ASN 146 Cb 0.04 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.38 1oo6 h ASN 146 CO -0.05 0.77 -0.02 0.58 -0.37 0.00 0.00 177.43 178.34 1oo6 h VAL 147 N 1.00 1.26 -0.39 2.57 2.07 -0.45 -0.01 116.25 122.31 1oo6 h VAL 147 Ca 0.25 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1oo6 h VAL 147 Cb 0.10 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1oo6 h VAL 147 CO -0.03 0.37 0.23 1.23 0.02 0.00 0.00 177.57 179.39 1oo6 h GLY 148 N 0.63 0.54 1.00 2.17 0.00 -0.65 -0.49 103.07 106.27 1oo6 h GLY 148 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1oo6 h GLY 148 CO 0.03 0.15 0.28 -0.57 0.00 0.00 0.00 176.54 176.42 1oo6 h ASN 149 N 0.47 0.51 0.19 0.19 -1.24 -1.19 -3.03 115.58 111.47 1oo6 h ASN 149 Ca 0.15 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.13 1oo6 h ASN 149 Cb 0.00 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 1oo6 h ASN 149 CO -0.07 0.39 -0.14 0.15 -1.29 0.00 0.00 177.43 176.47 1oo6 h PHE 150 N 0.58 -0.35 -1.01 0.67 3.57 -0.50 -1.38 116.94 118.52 1oo6 h PHE 150 Ca 0.16 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.75 1oo6 h PHE 150 Cb -0.04 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 38.76 1oo6 h PHE 150 CO -0.04 -0.21 0.64 -0.07 -2.23 0.00 0.00 178.31 176.40 1oo6 h LEU 151 N -0.33 0.99 -0.19 0.59 3.38 -1.09 -0.53 115.31 118.13 1oo6 h LEU 151 Ca -0.01 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1oo6 h LEU 151 Cb 0.29 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1oo6 h LEU 151 CO 0.00 0.58 -0.21 0.25 0.09 0.00 0.00 178.44 179.15 1oo6 h LEU 152 N 1.10 0.51 -0.00 1.67 6.46 -1.40 -2.48 115.31 121.16 1oo6 h LEU 152 Ca 0.46 -0.49 0.03 0.00 -0.12 0.00 0.00 57.88 57.76 1oo6 h LEU 152 Cb 0.32 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.07 1oo6 h LEU 152 CO -0.22 0.90 -0.17 1.23 -0.62 0.00 0.00 178.44 179.56 1oo6 h GLY 153 N 0.14 -0.22 1.49 3.75 0.00 -0.47 0.19 103.07 107.94 1oo6 h GLY 153 Ca 0.03 0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.50 1oo6 h GLY 153 CO 0.05 -0.16 0.02 -0.39 0.00 0.00 0.00 176.54 176.06 1oo6 h VAL 154 N -0.28 1.21 -0.53 4.60 -1.51 -1.18 -1.17 116.25 117.39 1oo6 h VAL 154 Ca 0.05 -0.85 -0.02 0.00 -1.23 0.00 0.00 66.70 64.65 1oo6 h VAL 154 Cb 0.35 0.89 -0.02 0.00 -2.13 0.00 0.00 31.29 30.37 1oo6 h VAL 154 CO -0.16 0.30 0.24 0.00 -1.23 0.00 0.00 177.57 176.72 1oo6 h ALA 155 N 1.41 0.69 0.00 5.19 0.00 -0.96 0.38 119.26 125.98 1oo6 h ALA 155 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1oo6 h ALA 155 Cb 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1oo6 h ALA 155 CO 0.01 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.53 1oo6 h ALA 156 N 1.08 1.00 -0.00 0.00 0.00 -0.33 -0.64 119.26 120.37 1oo6 h ALA 156 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1oo6 h ALA 156 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1oo6 h ALA 156 CO -0.02 0.00 -0.11 1.28 0.00 0.00 0.00 179.25 180.40 1oo6 n LEU 157 N -3.01 0.41 0.00 0.00 4.77 -0.50 -4.89 117.00 113.78 1oo6 n LEU 157 Ca 0.00 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1oo6 n LEU 157 Cb 0.28 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1oo6 n LEU 157 CO 0.26 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1oo6 n GLY 158 N 1.29 0.61 3.73 -0.72 0.00 -0.25 -5.07 105.19 104.79 1oo6 n GLY 158 Ca 0.14 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 1oo6 n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oo6 s LEU 159 N 0.00 3.60 0.11 0.99 1.43 0.02 -5.01 118.68 119.82 1oo6 s LEU 159 Ca 0.00 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1oo6 s LEU 159 Cb 0.00 -2.29 -0.06 0.00 0.03 0.00 0.00 46.19 43.88 1oo6 s LEU 159 CO 0.00 0.15 0.37 -1.81 0.23 0.00 0.00 176.35 175.29 1oo6 s ASP 160 N -2.53 6.53 0.26 2.29 1.01 0.09 -3.78 116.67 120.55 1oo6 s ASP 160 Ca 0.28 0.65 -0.22 0.00 0.71 0.00 0.00 52.55 53.97 1oo6 s ASP 160 Cb -0.11 -2.12 0.03 0.00 1.01 0.00 0.00 42.92 41.73 1oo6 s ASP 160 CO 0.20 0.10 0.73 0.00 0.21 0.00 0.00 175.17 176.42 1oo6 s ALA 161 N -1.55 -1.29 -0.21 5.23 0.00 -1.26 -0.88 121.76 121.80 1oo6 s ALA 161 Ca 0.37 -0.21 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 1oo6 s ALA 161 Cb -0.13 0.83 0.07 0.00 0.00 0.00 0.00 23.12 23.90 1oo6 s ALA 161 CO 0.22 -1.02 0.50 0.54 0.00 0.00 0.00 175.76 176.00 1oo6 s VAL 162 N -3.85 -0.20 0.09 0.00 0.11 -1.10 -2.42 120.40 113.04 1oo6 s VAL 162 Ca 0.10 0.08 -0.27 0.00 -2.93 0.00 0.00 61.98 58.96 1oo6 s VAL 162 Cb -0.05 -0.75 -0.06 0.00 -1.53 0.00 0.00 36.38 33.99 1oo6 s VAL 162 CO 0.05 0.03 0.84 -2.16 -3.33 0.00 0.00 175.10 170.54 1oo6 s PRO 163 N 1.79 4.60 -0.14 1.54 0.04 -1.26 -3.41 135.00 138.15 1oo6 s PRO 163 Ca -0.08 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.21 1oo6 s PRO 163 Cb -0.08 -3.35 0.02 0.00 0.04 0.00 0.00 34.50 31.12 1oo6 s PRO 163 CO -0.15 0.31 -0.16 0.42 0.04 0.00 0.00 177.00 177.45 1oo6 s ILE 164 N -0.23 1.69 -0.36 0.56 1.01 0.12 -4.93 121.20 119.06 1oo6 s ILE 164 Ca 0.41 -0.73 0.15 0.00 0.00 0.00 0.00 60.65 60.48 1oo6 s ILE 164 Cb -0.22 -1.55 -0.20 0.00 0.01 0.00 0.00 42.46 40.50 1oo6 s ILE 164 CO 0.26 0.48 0.48 1.21 0.00 0.00 0.00 174.94 177.37 1oo6 n GLU 165 N 4.51 1.31 -1.91 2.79 2.13 -1.26 -2.31 120.64 125.89 1oo6 n GLU 165 Ca -0.18 -0.07 -0.42 0.00 0.66 0.00 0.00 57.16 57.15 1oo6 n GLU 165 Cb 0.51 -1.28 -0.01 0.00 0.27 0.00 0.00 31.44 30.93 1oo6 n GLU 165 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1oo6 n GLY 166 N 1.49 3.53 3.44 8.31 0.00 -1.26 -4.83 105.19 115.88 1oo6 n GLY 166 Ca 0.00 -1.47 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 1oo6 n GLY 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1oo6 s PHE 167 N 4.09 -0.54 -0.51 1.61 -0.71 -1.26 -4.87 117.98 115.79 1oo6 s PHE 167 Ca 0.51 0.65 -0.23 0.00 -1.04 0.00 0.00 56.93 56.82 1oo6 s PHE 167 Cb 0.11 0.43 0.04 0.00 -1.21 0.00 0.00 43.02 42.38 1oo6 s PHE 167 CO -0.01 -0.69 0.85 0.34 -1.34 0.00 0.00 175.22 174.37 1oo6 s ASP 168 N -1.94 6.35 0.46 1.98 -1.08 -0.56 -4.90 116.67 116.98 1oo6 s ASP 168 Ca -0.05 -0.33 0.20 0.00 -0.52 0.00 0.00 52.55 51.84 1oo6 s ASP 168 Cb -0.01 -2.40 1.13 0.00 -1.46 0.00 0.00 42.92 40.18 1oo6 s ASP 168 CO -0.01 -1.08 1.99 0.00 0.52 0.00 0.00 175.17 176.59 1oo6 h ALA 169 N 9.16 1.44 -0.34 3.66 0.00 -1.89 -2.26 119.26 129.02 1oo6 h ALA 169 Ca -0.26 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 1oo6 h ALA 169 Cb 1.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1oo6 h ALA 169 CO 1.03 0.25 -0.43 0.00 0.00 0.00 0.00 179.25 180.10 1oo6 h ALA 170 N 1.80 0.58 -0.13 0.00 0.00 -1.94 -0.60 119.26 118.98 1oo6 h ALA 170 Ca -0.00 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1oo6 h ALA 170 Cb 0.41 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1oo6 h ALA 170 CO 0.03 0.68 -0.17 0.82 0.00 0.00 0.00 179.25 180.60 1oo6 h ILE 171 N 0.70 1.37 -0.63 0.00 2.04 -1.86 -2.56 117.51 116.57 1oo6 h ILE 171 Ca 0.05 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1oo6 h ILE 171 Cb 1.02 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 39.05 1oo6 h ILE 171 CO 0.10 0.40 0.40 0.25 0.00 0.00 0.00 178.15 179.30 1oo6 h LEU 172 N -0.07 0.75 -0.57 1.44 6.46 -1.43 0.54 115.31 122.43 1oo6 h LEU 172 Ca 0.01 -0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.75 1oo6 h LEU 172 Cb 0.72 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 1oo6 h LEU 172 CO 0.04 0.56 0.35 0.44 -0.62 0.00 0.00 178.44 179.22 1oo6 h ASP 173 N 0.86 0.59 0.82 1.25 5.19 -1.11 -2.15 116.42 121.87 1oo6 h ASP 173 Ca 0.23 -0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.53 1oo6 h ASP 173 Cb -0.06 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 1oo6 h ASP 173 CO -0.05 0.41 -0.49 0.00 -3.12 0.00 0.00 179.24 175.99 1oo6 h ALA 174 N 1.24 0.94 -0.09 3.45 0.00 -1.10 0.23 119.26 123.92 1oo6 h ALA 174 Ca 0.22 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1oo6 h ALA 174 Cb -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1oo6 h ALA 174 CO -0.08 0.62 -0.50 1.49 0.00 0.00 0.00 179.25 180.78 1oo6 h GLU 175 N 0.00 0.24 -0.28 0.00 4.57 -0.30 -3.24 114.58 115.57 1oo6 h GLU 175 Ca -0.00 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 57.98 1oo6 h GLU 175 Cb 1.04 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.60 1oo6 h GLU 175 CO 0.06 0.69 -0.01 1.19 -1.18 0.00 0.00 179.01 179.76 1oo6 n PHE 176 N -3.96 0.95 -0.97 0.92 3.72 -0.87 -4.96 117.46 112.29 1oo6 n PHE 176 Ca -0.02 -1.12 0.00 0.00 -0.05 0.00 0.00 57.45 56.26 1oo6 n PHE 176 Cb 0.54 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1oo6 n PHE 176 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1oo6 n GLY 177 N -0.78 0.12 3.49 1.37 0.00 -0.99 -4.98 105.19 103.42 1oo6 n GLY 177 Ca 0.25 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 1oo6 n GLY 177 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oo6 s LEU 178 N 0.00 0.82 0.00 0.99 1.43 0.76 -3.17 118.68 119.52 1oo6 s LEU 178 Ca 0.00 1.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1oo6 s LEU 178 Cb 0.00 -3.41 0.00 0.00 0.03 0.00 0.00 46.19 42.81 1oo6 s LEU 178 CO 0.00 -4.21 0.00 1.17 0.23 0.00 0.00 176.35 173.54 1oo6 n LYS 179 N -4.92 0.00 0.07 1.70 4.81 0.47 -4.54 118.16 115.74 1oo6 n LYS 179 Ca 0.03 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.26 1oo6 n LYS 179 Cb 0.54 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.48 1oo6 n LYS 179 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1oo6 h GLU 180 N 0.00 0.66 0.00 1.64 3.07 -1.84 -3.10 114.58 115.01 1oo6 h GLU 180 Ca 0.00 -0.79 0.00 0.00 -0.50 0.00 0.00 59.36 58.07 1oo6 h GLU 180 Cb 0.00 0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 1oo6 h GLU 180 CO 0.00 1.35 0.00 1.63 -1.40 0.00 0.00 179.01 180.59 1oo6 n LYS 181 N -3.82 0.06 -0.25 2.33 5.02 -1.23 -4.91 118.16 115.35 1oo6 n LYS 181 Ca -0.12 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1oo6 n LYS 181 Cb 0.93 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 1oo6 n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oo6 n GLY 182 N 1.37 1.20 3.26 0.72 0.00 -1.17 -5.06 105.19 105.52 1oo6 n GLY 182 Ca 0.08 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1oo6 n GLY 182 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oo6 s TYR 183 N -2.00 1.30 -0.07 1.61 1.51 -1.26 -1.23 117.35 117.21 1oo6 s TYR 183 Ca 0.00 -0.96 -0.04 0.00 -1.01 0.00 0.00 57.07 55.06 1oo6 s TYR 183 Cb 0.00 -0.74 0.03 0.00 -0.11 0.00 0.00 41.96 41.15 1oo6 s TYR 183 CO 0.00 -0.13 0.17 0.95 -1.11 0.00 0.00 175.55 175.43 1oo6 s THR 184 N -3.55 -0.04 0.35 -0.71 -4.23 -0.46 -0.40 115.64 106.59 1oo6 s THR 184 Ca 0.24 0.13 -0.28 0.00 -1.18 0.00 0.00 61.69 60.60 1oo6 s THR 184 Cb 0.05 -0.26 -0.10 0.00 1.34 0.00 0.00 72.50 73.53 1oo6 s THR 184 CO 0.05 0.05 1.27 -0.94 -0.54 0.00 0.00 174.62 174.51 1oo6 s SER 185 N 0.94 6.72 0.02 3.99 1.04 -1.26 -1.32 113.70 123.83 1oo6 s SER 185 Ca -0.07 2.61 0.00 0.00 0.48 0.00 0.00 55.95 58.97 1oo6 s SER 185 Cb -0.09 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1oo6 s SER 185 CO -0.05 -0.56 0.00 0.18 0.98 0.00 0.00 173.24 173.79 1oo6 n LEU 186 N 0.65 0.17 -4.02 2.42 4.77 0.23 -4.88 117.00 116.34 1oo6 n LEU 186 Ca 0.01 0.03 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 1oo6 n LEU 186 Cb 0.43 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 1oo6 n LEU 186 CO 0.57 -0.16 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.37 1oo6 s VAL 187 N -2.00 0.58 -0.14 4.08 1.01 -1.14 -4.82 120.40 117.98 1oo6 s VAL 187 Ca 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 1oo6 s VAL 187 Cb 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.83 1oo6 s VAL 187 CO 0.00 -0.03 -0.13 -0.69 0.00 0.00 0.00 175.10 174.25 1oo6 s VAL 188 N -0.58 2.99 -0.33 2.92 1.01 -0.98 0.28 120.40 125.71 1oo6 s VAL 188 Ca -0.01 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 1oo6 s VAL 188 Cb -0.05 -2.26 0.11 0.00 0.00 0.00 0.00 36.38 34.17 1oo6 s VAL 188 CO 0.00 0.52 0.12 -0.69 0.00 0.00 0.00 175.10 175.05 1oo6 s VAL 189 N 0.52 0.98 0.22 2.92 1.01 0.27 0.16 120.40 126.47 1oo6 s VAL 189 Ca -0.09 -1.61 -0.30 0.00 0.00 0.00 0.00 61.98 59.98 1oo6 s VAL 189 Cb -0.16 -1.73 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 1oo6 s VAL 189 CO 0.04 -0.72 1.08 -2.84 0.00 0.00 0.00 175.10 172.67 1oo6 s PRO 190 N 1.39 4.63 0.01 2.72 0.02 -1.22 -1.22 135.00 141.32 1oo6 s PRO 190 Ca 0.11 1.73 0.07 0.00 0.02 0.00 0.00 61.00 62.93 1oo6 s PRO 190 Cb -0.19 -3.25 -0.02 0.00 0.02 0.00 0.00 34.50 31.07 1oo6 s PRO 190 CO -0.20 0.16 -0.21 0.08 -0.33 0.00 0.00 177.00 176.50 1oo6 s VAL 191 N -0.64 1.71 0.00 3.83 1.01 0.38 -2.70 120.40 123.98 1oo6 s VAL 191 Ca 0.47 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1oo6 s VAL 191 Cb -0.30 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1oo6 s VAL 191 CO 0.37 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.46 1oo6 n GLY 192 N 2.29 -0.65 3.14 4.51 0.00 -0.06 -1.46 105.19 112.96 1oo6 n GLY 192 Ca -0.16 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1oo6 n GLY 192 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oo6 s HIS 193 N -2.66 1.33 0.54 1.61 3.76 -1.26 -0.73 115.29 117.88 1oo6 s HIS 193 Ca 0.00 -0.30 -0.16 0.00 -0.15 0.00 0.00 55.06 54.45 1oo6 s HIS 193 Cb 0.00 -0.82 -0.06 0.00 1.11 0.00 0.00 32.58 32.80 1oo6 s HIS 193 CO 0.00 0.01 1.02 -3.38 -0.85 0.00 0.00 174.74 171.54 1oo6 s HIS 194 N -0.58 3.25 0.40 1.40 -3.43 -1.26 -1.04 115.29 114.03 1oo6 s HIS 194 Ca 0.04 1.49 0.06 0.00 -0.80 0.00 0.00 55.06 55.86 1oo6 s HIS 194 Cb -0.07 -2.89 0.00 0.00 -1.43 0.00 0.00 32.58 28.20 1oo6 s HIS 194 CO 0.00 -0.68 0.56 -1.54 -2.00 0.00 0.00 174.74 171.08 1oo6 s SER 195 N -2.89 5.74 0.31 7.38 1.04 -0.59 -4.46 113.70 120.23 1oo6 s SER 195 Ca 0.61 -0.26 0.23 0.00 0.48 0.00 0.00 55.95 57.01 1oo6 s SER 195 Cb -0.13 -0.93 1.13 0.00 0.10 0.00 0.00 66.02 66.20 1oo6 s SER 195 CO 0.33 -0.68 1.69 1.33 0.98 0.00 0.00 173.24 176.89 1oo6 n VAL 196 N -1.84 0.95 -0.28 5.02 0.24 -1.26 -2.21 118.33 118.95 1oo6 n VAL 196 Ca 0.05 0.56 -0.13 0.00 -2.04 0.00 0.00 64.34 62.78 1oo6 n VAL 196 Cb 0.59 -1.54 0.11 0.00 -1.47 0.00 0.00 33.84 31.52 1oo6 n VAL 196 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1oo6 n GLU 197 N -2.28 1.76 -3.68 7.34 4.71 -1.26 -4.80 120.64 122.44 1oo6 n GLU 197 Ca -0.00 -1.74 -0.39 0.00 -0.01 0.00 0.00 57.16 55.02 1oo6 n GLU 197 Cb 0.10 -1.69 -0.11 0.00 -1.01 0.00 0.00 31.44 28.74 1oo6 n GLU 197 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1oo6 s ASP 198 N -0.33 5.47 0.22 1.62 3.68 -0.94 -4.74 116.67 121.64 1oo6 s ASP 198 Ca 0.33 -1.43 0.07 0.00 2.13 0.00 0.00 52.55 53.65 1oo6 s ASP 198 Cb 0.28 -1.92 0.16 0.00 -1.45 0.00 0.00 42.92 39.99 1oo6 s ASP 198 CO 0.06 -0.46 1.49 -0.26 0.13 0.00 0.00 175.17 176.14 1oo6 h PHE 199 N 8.29 0.14 0.00 -5.34 -1.00 -1.90 -3.16 116.94 113.96 1oo6 h PHE 199 Ca -0.22 -0.07 0.00 0.00 2.81 0.00 0.00 57.97 60.50 1oo6 h PHE 199 Cb 1.08 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.62 1oo6 h PHE 199 CO 0.60 0.80 0.00 -0.97 -1.61 0.00 0.00 178.31 177.12 1oo6 h ASN 200 N 0.06 0.00 1.18 2.17 -0.73 -1.93 -2.40 115.58 113.94 1oo6 h ASN 200 Ca -0.02 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.04 1oo6 h ASN 200 Cb 1.30 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.87 1oo6 h ASN 200 CO 0.10 0.00 -0.54 0.00 -0.37 0.00 0.00 177.43 176.62 1oo6 h ALA 201 N 2.16 0.74 0.00 1.57 0.00 -1.87 -3.26 119.26 118.60 1oo6 h ALA 201 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1oo6 h ALA 201 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1oo6 h ALA 201 CO 0.00 0.67 -1.98 0.25 0.00 0.00 0.00 179.25 178.20 1oo6 n THR 202 N -3.36 0.26 -2.25 0.00 -2.24 -1.03 -4.98 114.28 100.69 1oo6 n THR 202 Ca 0.01 -0.56 -0.38 0.00 -2.27 0.00 0.00 64.05 60.85 1oo6 n THR 202 Cb 0.69 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 1oo6 n THR 202 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1oo6 s LEU 203 N -4.74 4.20 0.68 3.22 1.02 -0.93 -5.03 118.68 117.10 1oo6 s LEU 203 Ca -0.08 2.41 -0.13 0.00 0.02 0.00 0.00 54.13 56.35 1oo6 s LEU 203 Cb 0.12 -3.99 0.01 0.00 0.02 0.00 0.00 46.19 42.35 1oo6 s LEU 203 CO 0.89 -0.70 1.08 -2.84 0.02 0.00 0.00 176.35 174.79 1oo6 s PRO 204 N -2.27 2.85 0.30 1.29 0.02 -1.26 -4.97 135.00 130.96 1oo6 s PRO 204 Ca 0.57 1.16 -0.23 0.00 0.02 0.00 0.00 61.00 62.52 1oo6 s PRO 204 Cb -0.32 -1.97 -0.09 0.00 0.02 0.00 0.00 34.50 32.13 1oo6 s PRO 204 CO 0.41 -1.18 0.87 0.21 -0.33 0.00 0.00 177.00 176.97 1oo6 s LYS 205 N -4.56 4.44 -0.09 5.54 2.20 -1.26 -5.07 119.74 120.94 1oo6 s LYS 205 Ca 0.62 1.15 -0.01 0.00 -0.36 0.00 0.00 55.97 57.37 1oo6 s LYS 205 Cb -0.17 -2.78 0.03 0.00 -1.51 0.00 0.00 37.83 33.40 1oo6 s LYS 205 CO 0.48 0.30 -0.03 0.45 -0.36 0.00 0.00 175.35 176.18 1oo6 s SER 206 N -1.68 1.83 0.01 1.43 0.15 -1.26 -5.13 113.70 109.06 1oo6 s SER 206 Ca 0.49 -0.18 -0.02 0.00 0.70 0.00 0.00 55.95 56.94 1oo6 s SER 206 Cb -0.17 -0.60 -0.01 0.00 -1.71 0.00 0.00 66.02 63.52 1oo6 s SER 206 CO 0.22 -0.17 0.02 -0.13 1.20 0.00 0.00 173.24 174.38 1oo6 s ARG 207 N 1.87 0.35 0.66 5.44 1.81 -1.26 -5.15 118.95 122.67 1oo6 s ARG 207 Ca 0.05 -0.53 -0.17 0.00 -1.72 0.00 0.00 55.73 53.36 1oo6 s ARG 207 Cb -0.12 0.13 -0.00 0.00 -0.45 0.00 0.00 34.95 34.51 1oo6 s ARG 207 CO -0.06 -0.07 1.24 -0.51 -0.68 0.00 0.00 175.30 175.22 1oo6 s LEU 208 N -1.39 3.52 0.65 2.53 1.43 -1.26 -4.97 118.68 119.19 1oo6 s LEU 208 Ca -0.15 2.46 -0.16 0.00 -1.03 0.00 0.00 54.13 55.25 1oo6 s LEU 208 Cb -0.09 -4.60 -0.01 0.00 0.03 0.00 0.00 46.19 41.52 1oo6 s LEU 208 CO -0.00 -1.96 1.14 -2.84 0.23 0.00 0.00 176.35 172.92 1oo6 s PRO 209 N -3.54 2.78 0.50 1.29 0.02 -1.26 -4.89 135.00 129.89 1oo6 s PRO 209 Ca 0.78 1.56 0.26 0.00 0.02 0.00 0.00 61.00 63.62 1oo6 s PRO 209 Cb -0.32 -1.93 1.34 0.00 0.02 0.00 0.00 34.50 33.60 1oo6 s PRO 209 CO 0.39 -1.30 2.03 1.96 -0.33 0.00 0.00 177.00 179.76 1oo6 h GLN 210 N 0.27 0.00 0.00 5.54 4.20 -1.94 -2.38 115.11 120.80 1oo6 h GLN 210 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1oo6 h GLN 210 Cb 1.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1oo6 h GLN 210 CO 0.54 0.15 0.00 -2.95 -0.67 0.00 0.00 178.83 175.89 1oo6 h ASN 211 N 0.00 0.00 0.00 1.46 7.08 -1.91 0.16 115.58 122.37 1oo6 h ASN 211 Ca -0.00 0.00 -0.44 0.00 -3.08 0.00 0.00 56.30 52.78 1oo6 h ASN 211 Cb 0.39 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 36.56 1oo6 h ASN 211 CO 0.02 0.00 -2.48 -0.38 -2.08 0.00 0.00 177.43 172.51 1oo6 n ILE 212 N -2.52 1.46 0.67 6.14 5.41 -0.91 -4.67 119.36 124.94 1oo6 n ILE 212 Ca -0.01 -0.40 0.12 0.00 1.00 0.00 0.00 62.75 63.47 1oo6 n ILE 212 Cb 0.12 -1.80 0.22 0.00 -0.71 0.00 0.00 39.64 37.46 1oo6 n ILE 212 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1oo6 n THR 213 N -4.06 0.28 -4.94 1.39 -2.24 -1.14 -4.91 114.28 98.65 1oo6 n THR 213 Ca -0.51 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 60.79 1oo6 n THR 213 Cb 0.89 -0.09 -0.16 0.00 -2.10 0.00 0.00 70.33 68.87 1oo6 n THR 213 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1oo6 s LEU 214 N -3.95 1.99 -0.06 3.22 0.20 0.56 -5.06 118.68 115.57 1oo6 s LEU 214 Ca 0.08 -0.37 0.03 0.00 0.69 0.00 0.00 54.13 54.56 1oo6 s LEU 214 Cb 0.14 -1.04 0.00 0.00 -0.43 0.00 0.00 46.19 44.87 1oo6 s LEU 214 CO 0.70 0.20 -0.16 -0.89 -0.29 0.00 0.00 176.35 175.91 1oo6 s THR 215 N -0.20 1.43 -0.12 3.68 2.01 -1.26 -4.61 115.64 116.56 1oo6 s THR 215 Ca 0.01 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 1oo6 s THR 215 Cb -0.10 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.13 1oo6 s THR 215 CO 0.01 0.42 -0.10 -1.61 -0.69 0.00 0.00 174.62 172.65 1oo6 s GLU 216 N 0.36 3.31 0.00 4.92 2.02 -1.26 -5.24 118.70 122.81 1oo6 s GLU 216 Ca -0.11 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.26 1oo6 s GLU 216 Cb -0.15 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.40 1oo6 s GLU 216 CO 0.04 0.32 0.20 1.33 0.02 0.00 0.00 175.26 177.17