#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oo5 s ASP 2 N 0.00 6.14 0.40 7.83 2.15 -1.26 -5.00 116.67 126.93 1oo5 s ASP 2 Ca 0.00 0.14 0.09 0.00 0.43 0.00 0.00 52.55 53.21 1oo5 s ASP 2 Cb 0.00 -2.15 0.87 0.00 -0.30 0.00 0.00 42.92 41.34 1oo5 s ASP 2 CO 0.00 -0.07 2.00 -0.29 -0.17 0.00 0.00 175.17 176.63 1oo5 h ILE 3 N 5.29 1.01 -0.40 4.11 6.09 -2.02 -2.76 117.51 128.83 1oo5 h ILE 3 Ca -0.35 -0.20 -0.04 0.00 -1.37 0.00 0.00 64.86 62.91 1oo5 h ILE 3 Cb 1.18 0.38 -0.02 0.00 0.47 0.00 0.00 36.82 38.83 1oo5 h ILE 3 CO 0.61 0.11 0.10 0.40 -3.07 0.00 0.00 178.15 176.29 1oo5 h ILE 4 N 0.58 1.23 -0.33 2.19 1.08 -1.98 -0.79 117.51 119.48 1oo5 h ILE 4 Ca 0.25 -0.77 0.05 0.00 -0.39 0.00 0.00 64.86 64.00 1oo5 h ILE 4 Cb 0.25 0.98 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 1oo5 h ILE 4 CO -0.07 0.27 0.04 0.28 -0.69 0.00 0.00 178.15 177.98 1oo5 h SER 5 N 0.50 -0.03 0.21 1.72 0.02 -1.92 0.19 113.55 114.23 1oo5 h SER 5 Ca 0.12 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1oo5 h SER 5 Cb 0.30 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1oo5 h SER 5 CO 0.00 0.02 -0.18 1.62 -1.14 0.00 0.00 176.83 177.14 1oo5 h VAL 6 N 0.15 1.07 -0.05 2.27 3.04 -1.34 0.34 116.25 121.73 1oo5 h VAL 6 Ca 0.16 -0.65 -0.17 0.00 -1.01 0.00 0.00 66.70 65.03 1oo5 h VAL 6 Cb 0.19 1.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 1oo5 h VAL 6 CO -0.22 0.18 -0.73 0.00 -1.01 0.00 0.00 177.57 175.79 1oo5 h ALA 7 N 1.82 0.67 0.00 3.17 0.00 0.60 -0.91 119.26 124.61 1oo5 h ALA 7 Ca -0.00 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 54.21 1oo5 h ALA 7 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1oo5 h ALA 7 CO 0.02 0.80 -0.96 -0.07 0.00 0.00 0.00 179.25 179.04 1oo5 h LEU 8 N 0.19 0.00 0.04 0.00 3.38 -0.09 -3.37 115.31 115.45 1oo5 h LEU 8 Ca -0.03 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.63 1oo5 h LEU 8 Cb 1.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 1oo5 h LEU 8 CO 0.12 0.31 -1.79 0.29 0.09 0.00 0.00 178.44 177.46 1oo5 n LYS 9 N -2.90 0.67 -1.80 1.13 5.02 0.11 -4.88 118.16 115.51 1oo5 n LYS 9 Ca -0.03 0.29 -0.37 0.00 -2.02 0.00 0.00 58.31 56.18 1oo5 n LYS 9 Cb 0.69 -1.77 0.06 0.00 -0.02 0.00 0.00 35.03 33.99 1oo5 n LYS 9 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1oo5 s ARG 10 N -2.59 2.64 0.25 1.97 1.70 -0.35 -5.04 118.95 117.53 1oo5 s ARG 10 Ca -0.10 2.01 -0.09 0.00 -0.47 0.00 0.00 55.73 57.08 1oo5 s ARG 10 Cb 0.08 -1.86 -0.01 0.00 -0.57 0.00 0.00 34.95 32.58 1oo5 s ARG 10 CO 0.81 -1.52 0.41 -3.38 -1.08 0.00 0.00 175.30 170.55 1oo5 s HIS 11 N -1.45 0.62 -0.60 5.89 -3.43 -1.26 -5.00 115.29 110.05 1oo5 s HIS 11 Ca 0.81 -0.94 -0.21 0.00 -0.80 0.00 0.00 55.06 53.93 1oo5 s HIS 11 Cb -0.36 0.01 0.08 0.00 -1.43 0.00 0.00 32.58 30.88 1oo5 s HIS 11 CO 0.38 -0.95 0.81 -1.12 -2.00 0.00 0.00 174.74 171.87 1oo5 s SER 12 N -3.08 6.20 0.20 7.38 0.01 -1.26 -4.43 113.70 118.72 1oo5 s SER 12 Ca 0.27 -1.09 -0.32 0.00 1.31 0.00 0.00 55.95 56.11 1oo5 s SER 12 Cb 0.01 -2.36 -0.12 0.00 0.21 0.00 0.00 66.02 63.76 1oo5 s SER 12 CO 0.11 -1.22 1.74 0.41 0.41 0.00 0.00 173.24 174.69 1oo5 n THR 13 N 5.76 0.05 0.92 1.44 -1.04 -1.10 -4.82 114.28 115.48 1oo5 n THR 13 Ca -0.06 -0.01 0.10 0.00 -2.04 0.00 0.00 64.05 62.04 1oo5 n THR 13 Cb 0.44 -1.99 0.01 0.00 -1.82 0.00 0.00 70.33 66.97 1oo5 n THR 13 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1oo5 n LYS 14 N 4.19 1.47 -3.65 -2.82 4.76 -1.26 -4.70 118.16 116.15 1oo5 n LYS 14 Ca 0.16 -1.10 -0.03 0.00 -2.87 0.00 0.00 58.31 54.48 1oo5 n LYS 14 Cb 0.35 -1.42 -0.05 0.00 -1.84 0.00 0.00 35.03 32.07 1oo5 n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1oo5 s ALA 15 N -2.23 -1.89 0.02 7.82 0.00 -1.26 -4.81 121.76 119.40 1oo5 s ALA 15 Ca 0.18 2.23 -0.04 0.00 0.00 0.00 0.00 51.96 54.33 1oo5 s ALA 15 Cb 0.17 -1.66 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 1oo5 s ALA 15 CO 0.48 -0.83 0.25 -0.06 0.00 0.00 0.00 175.76 175.59 1oo5 s PHE 16 N 2.69 3.55 -0.72 0.00 0.08 -1.26 -1.87 117.98 120.45 1oo5 s PHE 16 Ca -0.06 0.47 -0.24 0.00 0.12 0.00 0.00 56.93 57.22 1oo5 s PHE 16 Cb -0.11 -1.92 0.06 0.00 -0.57 0.00 0.00 43.02 40.48 1oo5 s PHE 16 CO -0.18 0.60 1.11 0.34 -0.10 0.00 0.00 175.22 176.99 1oo5 s ASP 17 N -1.93 6.20 0.60 1.36 -1.08 -0.41 -4.64 116.67 116.78 1oo5 s ASP 17 Ca 0.29 -0.87 0.28 0.00 -0.52 0.00 0.00 52.55 51.74 1oo5 s ASP 17 Cb -0.13 -2.47 1.30 0.00 -1.46 0.00 0.00 42.92 40.15 1oo5 s ASP 17 CO 0.19 -1.57 1.69 0.00 0.52 0.00 0.00 175.17 176.00 1oo5 h ALA 18 N 9.71 2.42 0.16 3.66 0.00 -1.87 -2.29 119.26 131.05 1oo5 h ALA 18 Ca -0.24 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.34 1oo5 h ALA 18 Cb 1.06 0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.93 1oo5 h ALA 18 CO 1.23 -1.06 -1.31 1.03 0.00 0.00 0.00 179.25 179.13 1oo5 h SER 19 N 0.00 0.87 -3.11 0.00 0.87 -1.90 -3.45 113.55 106.83 1oo5 h SER 19 Ca 0.30 -0.83 -0.56 0.00 -1.23 0.00 0.00 61.79 59.46 1oo5 h SER 19 Cb 1.77 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 63.41 1oo5 h SER 19 CO -0.00 1.64 0.72 -0.54 -0.53 0.00 0.00 176.83 178.11 1oo5 s LYS 20 N -2.88 4.33 0.46 2.24 1.02 -0.86 -5.04 119.74 119.01 1oo5 s LYS 20 Ca -0.09 1.49 0.06 0.00 0.02 0.00 0.00 55.97 57.46 1oo5 s LYS 20 Cb 0.05 -3.61 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 1oo5 s LYS 20 CO 0.94 -0.50 0.25 0.15 -0.92 0.00 0.00 175.35 175.27 1oo5 s LYS 21 N 2.64 2.27 0.09 1.68 3.01 -1.26 -4.51 119.74 123.66 1oo5 s LYS 21 Ca 0.50 -1.89 -0.22 0.00 -1.01 0.00 0.00 55.97 53.34 1oo5 s LYS 21 Cb -0.19 -2.03 -0.07 0.00 -1.01 0.00 0.00 37.83 34.53 1oo5 s LYS 21 CO 0.15 -0.28 0.67 -0.51 0.51 0.00 0.00 175.35 175.89 1oo5 s LEU 22 N -4.03 4.53 0.80 3.17 1.43 -1.26 -4.98 118.68 118.34 1oo5 s LEU 22 Ca 0.37 1.41 -0.13 0.00 -1.03 0.00 0.00 54.13 54.75 1oo5 s LEU 22 Cb 0.01 -3.08 0.08 0.00 0.03 0.00 0.00 46.19 43.23 1oo5 s LEU 22 CO 0.21 0.20 1.19 -0.89 0.23 0.00 0.00 176.35 177.29 1oo5 s THR 23 N -0.89 2.24 -0.27 5.49 2.01 -1.26 -4.75 115.64 118.20 1oo5 s THR 23 Ca 0.33 0.10 0.27 0.00 0.31 0.00 0.00 61.69 62.70 1oo5 s THR 23 Cb -0.21 -2.50 0.29 0.00 0.01 0.00 0.00 72.50 70.09 1oo5 s THR 23 CO 0.22 -0.08 1.80 1.55 -0.69 0.00 0.00 174.62 177.42 1oo5 h PRO 24 N -0.88 0.00 0.01 4.92 0.13 -1.98 -0.09 132.00 134.11 1oo5 h PRO 24 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1oo5 h PRO 24 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1oo5 h PRO 24 CO 0.47 0.00 -0.00 1.49 -0.23 0.00 0.00 178.00 179.73 1oo5 h GLU 25 N 0.00 -0.01 0.00 0.86 4.81 -1.99 -2.85 114.58 115.40 1oo5 h GLU 25 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1oo5 h GLU 25 Cb 0.35 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1oo5 h GLU 25 CO 0.00 0.82 -0.11 1.96 -0.73 0.00 0.00 179.01 180.96 1oo5 h GLN 26 N -0.93 0.00 -0.16 1.92 4.20 -1.81 0.19 115.11 118.52 1oo5 h GLN 26 Ca -0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1oo5 h GLN 26 Cb 0.84 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1oo5 h GLN 26 CO 0.00 0.11 -0.34 0.00 -0.67 0.00 0.00 178.83 177.92 1oo5 h ALA 27 N 1.89 1.13 0.18 3.87 0.00 -1.06 -1.65 119.26 123.63 1oo5 h ALA 27 Ca -0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 54.91 54.23 1oo5 h ALA 27 Cb 0.19 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1oo5 h ALA 27 CO 0.01 0.56 -1.34 1.49 0.00 0.00 0.00 179.25 179.97 1oo5 h GLU 28 N 0.28 0.41 -0.21 0.00 4.57 -0.80 -3.26 114.58 115.57 1oo5 h GLU 28 Ca 0.03 -0.68 -0.03 0.00 -1.18 0.00 0.00 59.36 57.50 1oo5 h GLU 28 Cb 0.74 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 1oo5 h GLU 28 CO 0.06 1.32 -0.00 1.96 -1.18 0.00 0.00 179.01 181.17 1oo5 h GLN 29 N 0.12 0.30 -0.47 1.92 4.20 -0.40 -1.96 115.11 118.82 1oo5 h GLN 29 Ca -0.19 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.40 1oo5 h GLN 29 Cb 2.05 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.76 1oo5 h GLN 29 CO 0.24 0.33 -0.00 0.82 -0.67 0.00 0.00 178.83 179.54 1oo5 h ILE 30 N 0.29 1.26 -0.07 2.54 1.08 -1.35 -2.35 117.51 118.92 1oo5 h ILE 30 Ca 0.07 -1.06 -0.15 0.00 -0.39 0.00 0.00 64.86 63.33 1oo5 h ILE 30 Cb 0.20 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 1oo5 h ILE 30 CO 0.00 0.37 -0.63 0.11 -0.69 0.00 0.00 178.15 177.32 1oo5 h LYS 31 N 0.68 0.25 -0.62 2.37 1.57 -1.50 -2.96 116.57 116.35 1oo5 h LYS 31 Ca 0.13 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1oo5 h LYS 31 Cb 0.50 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1oo5 h LYS 31 CO 0.02 0.80 0.12 1.15 -0.57 0.00 0.00 179.45 180.97 1oo5 h THR 32 N 0.19 1.26 -0.64 -0.16 2.02 -1.20 -1.95 112.91 112.42 1oo5 h THR 32 Ca -0.01 -0.98 -0.08 0.00 0.77 0.00 0.00 66.41 66.11 1oo5 h THR 32 Cb 1.14 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1oo5 h THR 32 CO 0.10 0.37 0.09 -0.07 0.37 0.00 0.00 175.52 176.38 1oo5 h LEU 33 N 0.94 1.01 -0.24 2.58 3.38 -1.40 -1.10 115.31 120.48 1oo5 h LEU 33 Ca 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1oo5 h LEU 33 Cb 0.41 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1oo5 h LEU 33 CO 0.01 1.01 0.03 -0.07 0.09 0.00 0.00 178.44 179.51 1oo5 h LEU 34 N 0.99 0.39 -0.12 1.67 3.38 -1.35 -3.24 115.31 117.02 1oo5 h LEU 34 Ca 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1oo5 h LEU 34 Cb 0.44 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1oo5 h LEU 34 CO 0.01 0.57 0.03 -0.61 0.09 0.00 0.00 178.44 178.53 1oo5 h GLN 35 N 0.20 0.20 -0.36 1.13 4.15 -1.20 -3.28 115.11 115.95 1oo5 h GLN 35 Ca 0.07 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1oo5 h GLN 35 Cb 0.35 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1oo5 h GLN 35 CO 0.01 0.37 0.00 0.66 -1.93 0.00 0.00 178.83 177.93 1oo5 n TYR 36 N -4.85 0.00 -2.47 3.99 4.02 -0.43 -4.90 117.16 112.52 1oo5 n TYR 36 Ca -0.05 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.47 1oo5 n TYR 36 Cb 0.16 -0.04 -0.03 0.00 -0.02 0.00 0.00 39.34 39.41 1oo5 n TYR 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1oo5 s SER 37 N -0.67 6.53 0.98 7.72 0.15 -1.22 -5.02 113.70 122.16 1oo5 s SER 37 Ca 0.00 2.08 -0.14 0.00 0.70 0.00 0.00 55.95 58.59 1oo5 s SER 37 Cb 0.00 -2.58 0.18 0.00 -1.71 0.00 0.00 66.02 61.90 1oo5 s SER 37 CO 0.00 -0.65 1.15 -2.16 1.20 0.00 0.00 173.24 172.78 1oo5 s PRO 38 N -2.68 0.57 -0.07 5.44 0.04 -1.26 -5.02 135.00 132.02 1oo5 s PRO 38 Ca 0.61 0.17 -0.29 0.00 0.04 0.00 0.00 61.00 61.52 1oo5 s PRO 38 Cb -0.23 -1.78 0.11 0.00 0.04 0.00 0.00 34.50 32.64 1oo5 s PRO 38 CO 0.28 -2.56 0.91 -1.54 0.04 0.00 0.00 177.00 174.13 1oo5 s SER 39 N -4.04 -0.39 0.04 6.66 1.04 -1.26 -4.74 113.70 111.01 1oo5 s SER 39 Ca 0.66 0.22 -0.30 0.00 0.48 0.00 0.00 55.95 57.01 1oo5 s SER 39 Cb -0.13 0.37 -0.09 0.00 0.10 0.00 0.00 66.02 66.27 1oo5 s SER 39 CO 0.54 -0.52 1.97 -0.55 0.98 0.00 0.00 173.24 175.66 1oo5 s SER 40 N -1.85 6.44 -1.94 7.02 0.15 -1.26 -0.62 113.70 121.64 1oo5 s SER 40 Ca 0.01 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.34 1oo5 s SER 40 Cb -0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1oo5 s SER 40 CO -0.03 -1.06 0.00 0.35 1.20 0.00 0.00 173.24 173.70 1oo5 n THR 41 N 5.53 0.00 -3.43 6.45 -2.24 -1.26 -1.40 114.28 117.93 1oo5 n THR 41 Ca 0.20 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.73 1oo5 n THR 41 Cb 0.41 -1.87 0.03 0.00 -2.10 0.00 0.00 70.33 66.81 1oo5 n THR 41 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1oo5 n ASN 42 N -1.32 -5.33 0.22 3.42 4.05 0.21 -4.86 115.26 111.65 1oo5 n ASN 42 Ca -0.18 -0.48 0.06 0.00 0.45 0.00 0.00 54.58 54.43 1oo5 n ASN 42 Cb 0.66 -4.28 0.52 0.00 1.23 0.00 0.00 39.78 37.90 1oo5 n ASN 42 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1oo5 h SER 43 N -1.72 0.00 -6.88 1.20 4.64 -1.42 -3.47 113.55 105.89 1oo5 h SER 43 Ca -0.53 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.21 1oo5 h SER 43 Cb 1.35 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.36 1oo5 h SER 43 CO 0.59 0.21 -0.98 0.00 -0.87 0.00 0.00 176.83 175.78 1oo5 n GLN 44 N -4.15 -0.92 -1.04 4.77 6.02 -1.26 -4.80 117.38 116.00 1oo5 n GLN 44 Ca -0.02 0.15 -0.16 0.00 -0.01 0.00 0.00 57.00 56.96 1oo5 n GLN 44 Cb 0.27 -3.26 -0.15 0.00 1.02 0.00 0.00 30.24 28.12 1oo5 n GLN 44 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1oo5 n PRO 45 N -4.75 2.25 -4.24 -1.09 -0.04 -1.26 -4.86 135.00 121.01 1oo5 n PRO 45 Ca -0.21 -1.18 -0.22 0.00 -0.04 0.00 0.00 63.50 61.85 1oo5 n PRO 45 Cb 0.63 -2.12 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1oo5 n PRO 45 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1oo5 n TRP 46 N 2.68 -0.20 -3.63 0.54 2.14 -1.26 -1.01 117.44 116.70 1oo5 n TRP 46 Ca 0.48 -2.58 -0.13 0.00 2.07 0.00 0.00 57.50 57.35 1oo5 n TRP 46 Cb 0.80 0.10 -0.07 0.00 -0.81 0.00 0.00 31.31 31.33 1oo5 n TRP 46 CO 0.00 0.00 0.00 -1.58 2.07 0.00 0.00 177.69 178.18 1oo5 s HIS 47 N -3.13 -0.81 0.08 -2.67 2.46 -0.30 -4.85 115.29 106.08 1oo5 s HIS 47 Ca 0.27 1.93 0.08 0.00 0.47 0.00 0.00 55.06 57.80 1oo5 s HIS 47 Cb 0.01 0.31 -0.03 0.00 -0.13 0.00 0.00 32.58 32.74 1oo5 s HIS 47 CO 0.19 -0.39 -0.20 -0.06 -2.47 0.00 0.00 174.74 171.81 1oo5 s PHE 48 N 0.53 1.70 -0.14 3.88 0.08 -1.26 -0.56 117.98 122.20 1oo5 s PHE 48 Ca -0.01 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.64 1oo5 s PHE 48 Cb -0.05 -0.96 0.02 0.00 -0.57 0.00 0.00 43.02 41.46 1oo5 s PHE 48 CO -0.02 0.16 -0.15 0.42 -0.10 0.00 0.00 175.22 175.54 1oo5 s ILE 49 N -1.08 1.56 -0.55 0.64 1.01 -1.22 -5.00 121.20 116.56 1oo5 s ILE 49 Ca 0.05 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 1oo5 s ILE 49 Cb -0.10 -1.45 0.14 0.00 0.01 0.00 0.00 42.46 41.06 1oo5 s ILE 49 CO 0.03 0.46 0.35 -0.69 0.00 0.00 0.00 174.94 175.09 1oo5 s VAL 50 N 1.33 3.46 0.07 2.92 1.01 -1.26 -1.84 120.40 126.08 1oo5 s VAL 50 Ca 0.01 -2.76 -0.31 0.00 0.00 0.00 0.00 61.98 58.93 1oo5 s VAL 50 Cb -0.13 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 1oo5 s VAL 50 CO -0.08 -0.82 1.50 0.00 0.00 0.00 0.00 175.10 175.70 1oo5 s ALA 51 N 0.23 3.64 0.00 5.51 0.00 0.11 -4.83 121.76 126.42 1oo5 s ALA 51 Ca 0.15 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1oo5 s ALA 51 Cb -0.21 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1oo5 s ALA 51 CO -0.03 -0.89 0.00 -1.13 0.00 0.00 0.00 175.76 173.70 1oo5 n SER 52 N 4.96 3.51 -4.92 0.00 3.41 -1.26 -1.00 113.62 118.31 1oo5 n SER 52 Ca 0.14 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.48 1oo5 n SER 52 Cb 0.42 0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 64.94 1oo5 n SER 52 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1oo5 s THR 53 N -1.48 5.25 0.41 6.66 -4.23 -1.26 -4.91 115.64 116.08 1oo5 s THR 53 Ca 0.00 -0.66 0.08 0.00 -1.18 0.00 0.00 61.69 59.92 1oo5 s THR 53 Cb 0.00 -3.67 0.26 0.00 1.34 0.00 0.00 72.50 70.43 1oo5 s THR 53 CO 0.00 -0.04 2.05 -0.33 -0.54 0.00 0.00 174.62 175.76 1oo5 h GLU 54 N 2.38 0.49 -0.26 3.99 4.39 -1.96 0.19 114.58 123.79 1oo5 h GLU 54 Ca -0.48 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.11 1oo5 h GLU 54 Cb 1.19 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1oo5 h GLU 54 CO 0.70 0.34 -0.19 0.93 -1.16 0.00 0.00 179.01 179.63 1oo5 h GLU 55 N 0.50 0.47 -0.00 2.33 3.07 -1.99 -1.85 114.58 117.11 1oo5 h GLU 55 Ca 0.13 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1oo5 h GLU 55 Cb -0.02 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.85 1oo5 h GLU 55 CO -0.03 0.64 -0.00 0.78 -1.40 0.00 0.00 179.01 179.01 1oo5 h GLY 56 N 0.97 0.00 1.74 -3.84 0.00 -1.14 -2.54 103.07 98.25 1oo5 h GLY 56 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1oo5 h GLY 56 CO 0.04 0.00 0.17 0.50 0.00 0.00 0.00 176.54 177.25 1oo5 h LYS 57 N -0.74 0.35 -0.33 4.80 1.57 -0.83 -0.69 116.57 120.70 1oo5 h LYS 57 Ca -0.00 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 1oo5 h LYS 57 Cb 0.74 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1oo5 h LYS 57 CO 0.00 0.24 -0.33 0.00 -0.57 0.00 0.00 179.45 178.79 1oo5 h ALA 58 N 1.83 0.79 -0.27 3.86 0.00 -1.37 0.40 119.26 124.50 1oo5 h ALA 58 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1oo5 h ALA 58 Cb -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1oo5 h ALA 58 CO -0.02 0.65 0.17 0.00 0.00 0.00 0.00 179.25 180.05 1oo5 h ARG 59 N 0.62 0.34 0.67 0.00 2.47 -0.71 -0.73 114.38 117.04 1oo5 h ARG 59 Ca 0.07 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.73 1oo5 h ARG 59 Cb 0.86 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 29.11 1oo5 h ARG 59 CO 0.07 0.23 -0.32 0.28 0.56 0.00 0.00 179.97 180.79 1oo5 h VAL 60 N 0.35 0.00 -0.75 2.04 2.07 -1.08 -3.10 116.25 115.78 1oo5 h VAL 60 Ca 0.10 -0.27 0.22 0.00 0.82 0.00 0.00 66.70 67.56 1oo5 h VAL 60 Cb -0.03 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.71 1oo5 h VAL 60 CO -0.03 0.00 0.79 0.00 0.02 0.00 0.00 177.57 178.36 1oo5 h ALA 61 N -1.31 2.56 0.00 1.67 0.00 -0.16 0.21 119.26 122.22 1oo5 h ALA 61 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1oo5 h ALA 61 Cb 0.69 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1oo5 h ALA 61 CO 0.15 -1.18 0.15 0.87 0.00 0.00 0.00 179.25 179.24 1oo5 h LYS 62 N 0.00 0.00 -0.01 0.00 1.57 -1.04 0.28 116.57 117.36 1oo5 h LYS 62 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1oo5 h LYS 62 Cb 1.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.25 1oo5 h LYS 62 CO -0.00 0.00 -0.16 -1.13 -0.57 0.00 0.00 179.45 177.59 1oo5 n SER 63 N -2.60 1.33 -0.58 0.86 3.41 0.72 -3.85 113.62 112.92 1oo5 n SER 63 Ca -0.02 -1.20 0.08 0.00 -0.26 0.00 0.00 58.87 57.47 1oo5 n SER 63 Cb 0.20 0.09 0.05 0.00 -0.26 0.00 0.00 64.21 64.29 1oo5 n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1oo5 n ALA 64 N -0.22 2.65 0.31 7.33 0.00 0.97 -1.56 120.51 129.99 1oo5 n ALA 64 Ca 0.15 -0.60 0.18 0.00 0.00 0.00 0.00 53.44 53.17 1oo5 n ALA 64 Cb 0.37 -0.55 0.96 0.00 0.00 0.00 0.00 19.45 20.22 1oo5 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oo5 h ALA 65 N 3.08 1.32 -3.00 0.00 0.00 -1.66 -2.99 119.26 116.01 1oo5 h ALA 65 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1oo5 h ALA 65 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1oo5 h ALA 65 CO 0.00 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.43 1oo5 n GLY 66 N -1.21 -1.57 0.97 0.00 0.00 -1.26 -4.69 105.19 97.43 1oo5 n GLY 66 Ca -0.02 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.72 1oo5 n GLY 66 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1oo5 n ASN 67 N 0.00 2.63 -1.28 1.61 2.04 -1.26 -3.83 115.26 115.17 1oo5 n ASN 67 Ca 0.00 -2.31 -0.08 0.00 -0.44 0.00 0.00 54.58 51.75 1oo5 n ASN 67 Cb 0.00 -0.54 0.12 0.00 -2.53 0.00 0.00 39.78 36.83 1oo5 n ASN 67 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 1oo5 n TYR 68 N 0.23 1.30 -0.22 -2.53 4.02 -1.23 -4.84 117.16 113.90 1oo5 n TYR 68 Ca 0.10 -1.84 0.06 0.00 -0.01 0.00 0.00 57.90 56.21 1oo5 n TYR 68 Cb 0.57 -0.29 0.32 0.00 -0.02 0.00 0.00 39.34 39.91 1oo5 n TYR 68 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1oo5 h VAL 69 N 1.58 1.03 -0.00 -0.72 2.07 -1.62 -1.50 116.25 117.09 1oo5 h VAL 69 Ca 0.17 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1oo5 h VAL 69 Cb 1.26 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1oo5 h VAL 69 CO 0.36 0.15 0.00 2.19 0.02 0.00 0.00 177.57 180.29 1oo5 h PHE 70 N 0.83 0.00 0.06 1.57 -5.15 -1.88 -1.55 116.94 110.82 1oo5 h PHE 70 Ca 0.34 0.00 -0.24 0.00 -0.20 0.00 0.00 57.97 57.87 1oo5 h PHE 70 Cb 0.25 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.41 1oo5 h PHE 70 CO -0.00 0.00 -1.09 -0.91 -2.00 0.00 0.00 178.31 174.31 1oo5 h ASN 71 N 0.00 0.23 -0.82 -0.68 2.35 -1.61 -3.37 115.58 111.68 1oo5 h ASN 71 Ca 0.00 -0.24 0.15 0.00 -0.55 0.00 0.00 56.30 55.67 1oo5 h ASN 71 Cb 0.01 -0.07 -0.15 0.00 0.05 0.00 0.00 38.32 38.15 1oo5 h ASN 71 CO -0.00 1.16 -0.28 -0.33 -1.65 0.00 0.00 177.43 176.33 1oo5 h GLU 72 N 0.05 -0.04 -0.62 0.81 5.08 -1.25 -2.20 114.58 116.40 1oo5 h GLU 72 Ca -0.07 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1oo5 h GLU 72 Cb 1.82 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 31.02 1oo5 h GLU 72 CO 0.16 -0.03 0.27 0.00 -1.00 0.00 0.00 179.01 178.42 1oo5 h ARG 73 N -0.04 0.48 -0.73 2.33 2.47 -1.72 -2.43 114.38 114.73 1oo5 h ARG 73 Ca 0.35 -0.03 0.10 0.00 -1.26 0.00 0.00 59.98 59.14 1oo5 h ARG 73 Cb 0.60 -0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 28.74 1oo5 h ARG 73 CO -0.85 0.31 0.37 0.87 0.56 0.00 0.00 179.97 181.23 1oo5 h LYS 74 N 0.49 0.59 0.80 0.04 1.57 -1.63 -1.05 116.57 117.38 1oo5 h LYS 74 Ca 0.31 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1oo5 h LYS 74 Cb 0.33 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1oo5 h LYS 74 CO -0.27 0.39 -0.38 0.52 -0.57 0.00 0.00 179.45 179.14 1oo5 h MET 75 N 0.61 -1.04 -0.64 3.15 2.86 -1.42 -2.71 114.93 115.75 1oo5 h MET 75 Ca 0.36 0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 58.03 1oo5 h MET 75 Cb 0.40 0.24 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 1oo5 h MET 75 CO -0.28 -0.68 0.23 -0.07 1.06 0.00 0.00 176.91 177.16 1oo5 h LEU 76 N -1.11 0.90 -0.61 1.22 3.38 -1.34 -3.25 115.31 114.50 1oo5 h LEU 76 Ca -0.11 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 1oo5 h LEU 76 Cb 0.83 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1oo5 h LEU 76 CO 0.18 0.85 -0.50 0.44 0.09 0.00 0.00 178.44 179.50 1oo5 h ASP 77 N 0.91 0.00 -3.99 -0.43 3.45 -1.27 -3.46 116.42 111.62 1oo5 h ASP 77 Ca 0.21 0.00 -0.49 0.00 0.43 0.00 0.00 57.03 57.18 1oo5 h ASP 77 Cb 0.25 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.05 1oo5 h ASP 77 CO -0.01 0.50 0.42 0.00 -1.57 0.00 0.00 179.24 178.58 1oo5 s ALA 78 N -3.37 3.03 0.03 3.45 0.00 -1.02 -3.40 121.76 120.47 1oo5 s ALA 78 Ca 0.01 0.74 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 1oo5 s ALA 78 Cb 0.10 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1oo5 s ALA 78 CO 0.72 -0.33 1.18 1.03 0.00 0.00 0.00 175.76 178.36 1oo5 h SER 79 N 2.24 -0.51 -3.96 0.00 0.87 -1.53 -3.44 113.55 107.23 1oo5 h SER 79 Ca -0.49 0.05 -0.69 0.00 -1.23 0.00 0.00 61.79 59.44 1oo5 h SER 79 Cb 1.22 0.19 -0.22 0.00 -0.44 0.00 0.00 62.40 63.15 1oo5 h SER 79 CO 0.61 -0.18 -0.85 -1.00 -0.53 0.00 0.00 176.83 174.88 1oo5 s HIS 80 N -3.89 2.37 -0.13 2.24 3.76 -0.82 -4.62 115.29 114.20 1oo5 s HIS 80 Ca -0.05 -0.36 -0.01 0.00 -0.15 0.00 0.00 55.06 54.49 1oo5 s HIS 80 Cb 0.02 -1.31 0.04 0.00 1.11 0.00 0.00 32.58 32.43 1oo5 s HIS 80 CO 0.19 0.30 -0.03 0.08 -0.85 0.00 0.00 174.74 174.44 1oo5 s VAL 81 N -1.01 0.77 -0.15 -0.90 1.01 -0.17 0.13 120.40 120.08 1oo5 s VAL 81 Ca 0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 1oo5 s VAL 81 Cb -0.10 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 1oo5 s VAL 81 CO 0.06 0.16 -0.07 0.54 0.00 0.00 0.00 175.10 175.79 1oo5 s VAL 82 N 1.79 3.61 -0.38 2.92 0.11 -0.90 0.03 120.40 127.59 1oo5 s VAL 82 Ca 0.03 -0.46 -0.07 0.00 -2.93 0.00 0.00 61.98 58.55 1oo5 s VAL 82 Cb -0.14 -2.57 0.06 0.00 -1.53 0.00 0.00 36.38 32.20 1oo5 s VAL 82 CO -0.07 0.50 0.17 0.54 -3.33 0.00 0.00 175.10 172.91 1oo5 s VAL 83 N 0.38 3.88 0.14 2.04 0.11 -0.77 0.33 120.40 126.51 1oo5 s VAL 83 Ca -0.06 -1.34 -0.31 0.00 -2.93 0.00 0.00 61.98 57.34 1oo5 s VAL 83 Cb -0.15 -3.31 -0.08 0.00 -1.53 0.00 0.00 36.38 31.31 1oo5 s VAL 83 CO 0.04 -0.36 1.38 -0.36 -3.33 0.00 0.00 175.10 172.47 1oo5 s PHE 84 N 1.38 3.24 0.06 1.54 0.40 0.46 -3.41 117.98 121.64 1oo5 s PHE 84 Ca 0.01 1.01 0.08 0.00 -0.60 0.00 0.00 56.93 57.43 1oo5 s PHE 84 Cb -0.21 -3.67 -0.03 0.00 0.51 0.00 0.00 43.02 39.62 1oo5 s PHE 84 CO 0.02 -2.30 -0.23 0.00 0.70 0.00 0.00 175.22 173.41 1oo5 s ALA 86 N -0.86 2.56 0.57 0.00 0.00 -0.69 -1.15 121.76 122.19 1oo5 s ALA 86 Ca 0.09 -1.34 -0.19 0.00 0.00 0.00 0.00 51.96 50.52 1oo5 s ALA 86 Cb -0.09 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 1oo5 s ALA 86 CO 0.02 0.57 1.18 0.15 0.00 0.00 0.00 175.76 177.69 1oo5 s LYS 87 N -1.90 3.14 0.11 0.00 1.02 -0.18 -1.99 119.74 119.95 1oo5 s LYS 87 Ca 0.16 1.75 0.06 0.00 0.02 0.00 0.00 55.97 57.97 1oo5 s LYS 87 Cb -0.10 -1.98 -0.22 0.00 -0.52 0.00 0.00 37.83 35.01 1oo5 s LYS 87 CO 0.07 -1.05 1.25 1.79 -0.92 0.00 0.00 175.35 176.50 1oo5 h THR 88 N 1.04 1.68 -2.31 2.17 1.35 -1.41 -3.45 112.91 112.00 1oo5 h THR 88 Ca -0.50 -3.39 -0.07 0.00 -0.55 0.00 0.00 66.41 61.90 1oo5 h THR 88 Cb 1.28 2.84 -0.22 0.00 -1.73 0.00 0.00 68.15 70.33 1oo5 h THR 88 CO 0.56 0.96 -0.01 0.00 -0.25 0.00 0.00 175.52 176.78 1oo5 s ALA 89 N -2.70 -1.47 -0.61 6.62 0.00 -1.26 -4.42 121.76 117.92 1oo5 s ALA 89 Ca 0.01 1.58 -0.27 0.00 0.00 0.00 0.00 51.96 53.28 1oo5 s ALA 89 Cb 0.10 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 22.41 1oo5 s ALA 89 CO 0.82 -0.29 1.16 1.41 0.00 0.00 0.00 175.76 178.86 1oo5 s MET 90 N 0.10 3.40 0.40 0.00 1.75 -1.26 -5.01 119.30 118.68 1oo5 s MET 90 Ca -0.02 0.02 -0.00 0.00 -1.25 0.00 0.00 55.69 54.44 1oo5 s MET 90 Cb -0.04 -4.06 -0.02 0.00 2.84 0.00 0.00 34.83 33.55 1oo5 s MET 90 CO 0.02 -1.74 0.62 0.16 -0.65 0.00 0.00 175.02 173.43 1oo5 s ASP 91 N 3.12 6.09 0.46 1.11 3.84 -1.26 -5.01 116.67 125.02 1oo5 s ASP 91 Ca 0.38 0.42 0.19 0.00 -0.00 0.00 0.00 52.55 53.54 1oo5 s ASP 91 Cb -0.09 -1.83 1.12 0.00 -1.38 0.00 0.00 42.92 40.75 1oo5 s ASP 91 CO 0.22 -0.50 1.99 0.44 -0.00 0.00 0.00 175.17 177.32 1oo5 h ASP 92 N 0.55 0.00 0.34 2.11 3.45 -1.99 -2.99 116.42 117.88 1oo5 h ASP 92 Ca -0.48 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 56.96 1oo5 h ASP 92 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 1oo5 h ASP 92 CO 0.59 0.19 -0.16 0.58 -1.57 0.00 0.00 179.24 178.87 1oo5 h VAL 93 N 0.00 0.64 -0.67 -1.35 2.07 -1.99 -0.56 116.25 114.39 1oo5 h VAL 93 Ca -0.00 -0.56 0.11 0.00 0.82 0.00 0.00 66.70 67.07 1oo5 h VAL 93 Cb 0.38 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1oo5 h VAL 93 CO 0.02 0.10 0.45 -0.25 0.02 0.00 0.00 177.57 177.91 1oo5 h TRP 94 N -0.78 0.51 -0.25 1.57 2.91 -1.96 0.24 115.95 118.19 1oo5 h TRP 94 Ca -0.05 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 59.90 1oo5 h TRP 94 Cb 0.51 -0.17 -0.00 0.00 -0.51 0.00 0.00 29.16 28.99 1oo5 h TRP 94 CO 0.02 0.23 -0.20 -0.07 -1.03 0.00 0.00 178.44 177.39 1oo5 h LEU 95 N 0.47 0.61 -0.88 0.65 4.07 -1.42 -1.15 115.31 117.68 1oo5 h LEU 95 Ca 0.31 -0.45 -0.09 0.00 0.08 0.00 0.00 57.88 57.72 1oo5 h LEU 95 Cb 0.59 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 1oo5 h LEU 95 CO -0.10 0.94 -0.18 0.50 -1.08 0.00 0.00 178.44 178.52 1oo5 h LYS 96 N 0.29 0.64 -0.29 1.13 1.63 0.19 -2.73 116.57 117.44 1oo5 h LYS 96 Ca 0.05 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 1oo5 h LYS 96 Cb 0.75 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 1oo5 h LYS 96 CO 0.05 0.78 0.13 1.25 -3.45 0.00 0.00 179.45 178.21 1oo5 h LEU 97 N 0.57 0.38 0.00 5.20 6.46 -0.39 -0.02 115.31 127.51 1oo5 h LEU 97 Ca 0.09 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1oo5 h LEU 97 Cb 0.62 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1oo5 h LEU 97 CO 0.04 0.41 -0.00 0.58 -0.62 0.00 0.00 178.44 178.85 1oo5 h VAL 98 N 0.33 1.04 -0.21 1.05 2.07 -1.09 -1.37 116.25 118.07 1oo5 h VAL 98 Ca 0.10 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1oo5 h VAL 98 Cb 0.14 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1oo5 h VAL 98 CO -0.01 0.03 -0.20 1.62 0.02 0.00 0.00 177.57 179.04 1oo5 h VAL 99 N -0.06 1.23 -0.08 2.57 3.04 -1.43 -0.49 116.25 121.04 1oo5 h VAL 99 Ca -0.00 -1.07 -0.09 0.00 -1.01 0.00 0.00 66.70 64.52 1oo5 h VAL 99 Cb 0.06 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 1oo5 h VAL 99 CO 0.00 0.34 -0.37 0.44 -1.01 0.00 0.00 177.57 176.96 1oo5 h ASP 100 N 0.34 0.18 -0.01 3.17 3.32 -0.78 -1.60 116.42 121.03 1oo5 h ASP 100 Ca 0.06 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1oo5 h ASP 100 Cb 0.54 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1oo5 h ASP 100 CO 0.04 0.54 -0.06 -0.61 -1.72 0.00 0.00 179.24 177.43 1oo5 h GLN 101 N 0.15 0.05 -0.49 3.56 5.75 -0.54 -0.63 115.11 122.96 1oo5 h GLN 101 Ca 0.02 -0.05 0.09 0.00 -0.15 0.00 0.00 58.65 58.56 1oo5 h GLN 101 Cb 0.73 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.27 1oo5 h GLN 101 CO 0.06 0.73 0.33 0.93 -2.65 0.00 0.00 178.83 178.23 1oo5 h GLU 102 N -0.61 0.25 -0.00 1.69 5.08 -1.01 -0.40 114.58 119.59 1oo5 h GLU 102 Ca -0.00 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 1oo5 h GLU 102 Cb 0.74 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1oo5 h GLU 102 CO 0.01 0.17 -0.70 0.22 -1.00 0.00 0.00 179.01 177.71 1oo5 h ASP 103 N 0.26 0.62 -0.56 1.42 3.58 -1.24 -1.33 116.42 119.17 1oo5 h ASP 103 Ca 0.23 -0.76 0.06 0.00 0.42 0.00 0.00 57.03 56.98 1oo5 h ASP 103 Cb 0.55 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.38 1oo5 h ASP 103 CO -0.05 1.29 0.37 0.00 -2.88 0.00 0.00 179.24 177.98 1oo5 h ALA 104 N 0.34 1.84 -0.00 -0.78 0.00 0.44 0.21 119.26 121.30 1oo5 h ALA 104 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1oo5 h ALA 104 Cb 1.40 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1oo5 h ALA 104 CO 0.14 0.07 -0.01 -0.25 0.00 0.00 0.00 179.25 179.20 1oo5 n ASP 105 N -4.47 0.44 0.00 0.00 10.43 -0.34 -4.93 116.55 117.68 1oo5 n ASP 105 Ca 0.08 -1.08 0.00 0.00 2.57 0.00 0.00 54.79 56.36 1oo5 n ASP 105 Cb 0.23 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.18 1oo5 n ASP 105 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1oo5 n GLY 106 N 1.08 0.56 0.08 0.44 0.00 0.06 -4.98 105.19 102.43 1oo5 n GLY 106 Ca 0.22 -0.80 0.15 0.00 0.00 0.00 0.00 46.02 45.58 1oo5 n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oo5 n ARG 107 N -1.28 0.92 -5.05 1.61 1.74 -0.51 -4.78 116.66 109.31 1oo5 n ARG 107 Ca 0.00 -0.16 -0.30 0.00 -0.77 0.00 0.00 57.85 56.62 1oo5 n ARG 107 Cb 0.37 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 30.15 1oo5 n ARG 107 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1oo5 s PHE 108 N -2.19 2.19 -0.11 -1.55 0.40 -1.26 -5.01 117.98 110.45 1oo5 s PHE 108 Ca 0.40 -0.79 -0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1oo5 s PHE 108 Cb 0.21 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 42.24 1oo5 s PHE 108 CO 0.40 -0.31 0.03 0.00 0.70 0.00 0.00 175.22 176.04 1oo5 h ALA 109 N 6.54 0.00 -2.22 5.36 0.00 -1.96 -3.48 119.26 123.51 1oo5 h ALA 109 Ca -0.26 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.02 1oo5 h ALA 109 Cb 1.21 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 1oo5 h ALA 109 CO 0.47 0.06 -0.59 0.95 0.00 0.00 0.00 179.25 180.15 1oo5 s THR 110 N -1.67 3.96 0.23 0.00 -4.23 -1.26 -5.00 115.64 107.68 1oo5 s THR 110 Ca -0.03 -1.64 0.36 0.00 -1.18 0.00 0.00 61.69 59.20 1oo5 s THR 110 Cb 0.00 -3.13 0.38 0.00 1.34 0.00 0.00 72.50 71.10 1oo5 s THR 110 CO 0.07 -0.36 2.08 1.55 -0.54 0.00 0.00 174.62 177.43 1oo5 h PRO 111 N 1.71 0.00 -0.07 3.99 0.13 -2.01 -1.83 132.00 133.93 1oo5 h PRO 111 Ca -0.46 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 1oo5 h PRO 111 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1oo5 h PRO 111 CO 0.61 0.00 -0.60 0.93 -0.23 0.00 0.00 178.00 178.70 1oo5 h GLU 112 N 0.00 0.23 -0.45 0.86 3.07 -1.99 -2.25 114.58 114.05 1oo5 h GLU 112 Ca 0.00 -0.16 -0.10 0.00 -0.50 0.00 0.00 59.36 58.60 1oo5 h GLU 112 Cb 0.26 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1oo5 h GLU 112 CO 0.00 0.76 -0.11 0.00 -1.40 0.00 0.00 179.01 178.26 1oo5 h ALA 113 N 1.21 0.61 -0.58 3.43 0.00 -1.73 -1.23 119.26 120.97 1oo5 h ALA 113 Ca -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1oo5 h ALA 113 Cb 1.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1oo5 h ALA 113 CO 0.09 0.51 0.35 -0.22 0.00 0.00 0.00 179.25 179.98 1oo5 h LYS 114 N 0.70 0.78 -0.36 0.00 3.64 -1.44 -1.35 116.57 118.54 1oo5 h LYS 114 Ca 0.11 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1oo5 h LYS 114 Cb 0.65 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1oo5 h LYS 114 CO 0.04 0.57 0.05 0.00 -2.27 0.00 0.00 179.45 177.84 1oo5 h ALA 115 N 1.17 0.48 -0.06 5.00 0.00 -1.24 -2.23 119.26 122.39 1oo5 h ALA 115 Ca 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1oo5 h ALA 115 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1oo5 h ALA 115 CO -0.04 0.20 -0.10 0.00 0.00 0.00 0.00 179.25 179.31 1oo5 h ALA 116 N 0.90 1.74 -0.01 0.00 0.00 -0.94 -0.33 119.26 120.62 1oo5 h ALA 116 Ca 0.11 -0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 1oo5 h ALA 116 Cb 0.37 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.14 1oo5 h ALA 116 CO 0.01 0.20 -1.00 -0.97 0.00 0.00 0.00 179.25 177.48 1oo5 h ASN 117 N 0.08 0.83 -0.44 0.00 -0.73 -1.04 -2.63 115.58 111.65 1oo5 h ASN 117 Ca 0.02 -0.66 -0.13 0.00 1.87 0.00 0.00 56.30 57.40 1oo5 h ASN 117 Cb 0.23 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.55 1oo5 h ASN 117 CO 0.01 1.46 -0.22 -0.78 -0.37 0.00 0.00 177.43 177.53 1oo5 h ASP 118 N 0.37 0.98 0.03 1.15 3.58 -0.83 -0.67 116.42 121.01 1oo5 h ASP 118 Ca -0.11 -0.37 -0.10 0.00 0.42 0.00 0.00 57.03 56.86 1oo5 h ASP 118 Cb 1.65 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 42.42 1oo5 h ASP 118 CO 0.19 1.15 -0.32 0.50 -2.88 0.00 0.00 179.24 177.88 1oo5 h LYS 119 N 0.82 0.43 -0.16 0.28 1.63 -1.14 -0.27 116.57 118.16 1oo5 h LYS 119 Ca 0.11 -0.18 -0.19 0.00 -0.85 0.00 0.00 60.65 59.54 1oo5 h LYS 119 Cb 0.79 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1oo5 h LYS 119 CO 0.07 0.70 -0.67 0.78 -3.45 0.00 0.00 179.45 176.88 1oo5 h GLY 120 N 1.07 0.69 1.09 5.01 0.00 -1.22 -0.98 103.07 108.73 1oo5 h GLY 120 Ca 0.05 -0.90 -0.13 0.00 0.00 0.00 0.00 47.33 46.35 1oo5 h GLY 120 CO 0.06 0.80 -0.21 -0.09 0.00 0.00 0.00 176.54 177.10 1oo5 h ARG 121 N 0.45 0.97 0.00 4.80 2.43 -0.90 -2.78 114.38 119.35 1oo5 h ARG 121 Ca -0.02 -0.42 -0.07 0.00 -0.81 0.00 0.00 59.98 58.67 1oo5 h ARG 121 Cb 1.25 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1oo5 h ARG 121 CO 0.13 1.09 -0.31 0.87 -1.51 0.00 0.00 179.97 180.23 1oo5 h LYS 122 N 0.82 0.00 0.10 0.20 1.57 -0.99 -1.36 116.57 116.90 1oo5 h LYS 122 Ca 0.11 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1oo5 h LYS 122 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1oo5 h LYS 122 CO 0.07 0.31 -0.05 0.35 -0.57 0.00 0.00 179.45 179.56 1oo5 h PHE 123 N 0.00 -0.12 -0.18 -1.35 3.57 -0.89 -0.12 116.94 117.85 1oo5 h PHE 123 Ca -0.00 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 1oo5 h PHE 123 Cb 0.83 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1oo5 h PHE 123 CO 0.00 0.05 -0.09 0.74 -2.23 0.00 0.00 178.31 176.78 1oo5 h PHE 124 N -0.27 0.43 -0.71 0.41 -1.00 -1.46 -2.23 116.94 112.11 1oo5 h PHE 124 Ca -0.01 -0.11 0.06 0.00 2.81 0.00 0.00 57.97 60.72 1oo5 h PHE 124 Cb 0.22 -0.10 -0.04 0.00 3.61 0.00 0.00 35.95 39.64 1oo5 h PHE 124 CO -0.03 0.68 0.47 0.00 -1.61 0.00 0.00 178.31 177.83 1oo5 h ALA 125 N 0.68 1.69 -0.01 2.45 0.00 -1.22 -2.65 119.26 120.19 1oo5 h ALA 125 Ca 0.04 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1oo5 h ALA 125 Cb 0.57 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1oo5 h ALA 125 CO 0.03 0.21 -0.76 -0.44 0.00 0.00 0.00 179.25 178.28 1oo5 h ASP 126 N 0.77 0.69 0.05 0.00 3.45 -0.96 -2.14 116.42 118.28 1oo5 h ASP 126 Ca 0.30 -0.74 0.00 0.00 0.43 0.00 0.00 57.03 57.02 1oo5 h ASP 126 Cb 0.22 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 1oo5 h ASP 126 CO -0.10 1.34 0.00 1.15 -1.57 0.00 0.00 179.24 180.06 1oo5 n MET 127 N -4.08 0.07 -0.13 3.56 0.00 -0.85 -0.10 117.12 115.59 1oo5 n MET 127 Ca -0.10 0.54 -0.27 0.00 0.00 0.00 0.00 57.70 57.87 1oo5 n MET 127 Cb 0.75 -1.71 -0.10 0.00 0.00 0.00 0.00 33.22 32.16 1oo5 n MET 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1oo5 n HIS 128 N -1.84 0.19 0.21 3.17 8.25 -1.07 -1.39 115.22 122.74 1oo5 n HIS 128 Ca -0.00 0.08 0.12 0.00 -0.26 0.00 0.00 57.72 57.66 1oo5 n HIS 128 Cb 0.03 -0.98 0.12 0.00 1.12 0.00 0.00 29.99 30.29 1oo5 n HIS 128 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1oo5 h ARG 129 N -1.00 0.00 0.00 -0.41 0.11 -1.13 0.40 114.38 112.35 1oo5 h ARG 129 Ca -0.59 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.31 1oo5 h ARG 129 Cb 1.51 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.55 1oo5 h ARG 129 CO -0.36 0.00 -1.67 1.63 0.10 0.00 0.00 179.97 179.67 1oo5 n LYS 130 N -2.89 0.28 -0.04 0.08 5.02 0.86 -4.45 118.16 117.02 1oo5 n LYS 130 Ca 0.03 0.08 -0.01 0.00 -2.02 0.00 0.00 58.31 56.39 1oo5 n LYS 130 Cb 0.53 -1.14 -0.00 0.00 -0.02 0.00 0.00 35.03 34.40 1oo5 n LYS 130 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1oo5 h ASP 131 N -0.14 0.00 0.34 4.39 3.45 -1.57 -3.40 116.42 119.48 1oo5 h ASP 131 Ca -0.28 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.18 1oo5 h ASP 131 Cb 1.36 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.13 1oo5 h ASP 131 CO -0.09 0.42 -0.38 0.18 -1.57 0.00 0.00 179.24 177.80 1oo5 n LEU 132 N -4.03 0.82 -3.85 1.55 4.77 -0.49 -4.99 117.00 110.79 1oo5 n LEU 132 Ca -0.02 -0.17 -0.34 0.00 -0.03 0.00 0.00 56.01 55.46 1oo5 n LEU 132 Cb 0.06 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1oo5 n LEU 132 CO 0.02 0.17 -0.14 1.41 -1.33 0.00 0.00 177.39 177.52 1oo5 n HIS 133 N -1.01 -1.71 -1.48 -1.77 8.25 0.65 -4.88 115.22 113.26 1oo5 n HIS 133 Ca 0.09 0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 1oo5 n HIS 133 Cb 0.34 -3.31 0.00 0.00 1.12 0.00 0.00 29.99 28.14 1oo5 n HIS 133 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1oo5 n ASP 134 N -2.61 0.00 -0.12 0.41 3.85 0.11 -4.89 116.55 113.29 1oo5 n ASP 134 Ca -0.14 -1.36 0.27 0.00 -0.71 0.00 0.00 54.79 52.85 1oo5 n ASP 134 Cb 0.60 -0.07 0.72 0.00 -1.35 0.00 0.00 41.12 41.02 1oo5 n ASP 134 CO 0.00 0.00 0.00 -2.24 -1.01 0.00 0.00 177.20 173.95 1oo5 h ASP 135 N 0.00 0.00 -0.38 -1.12 -0.00 -1.87 0.41 116.42 113.46 1oo5 h ASP 135 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.03 56.87 1oo5 h ASP 135 Cb 1.14 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.47 1oo5 h ASP 135 CO 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 179.24 178.87 1oo5 h ALA 136 N 1.49 0.60 0.00 4.15 0.00 -1.89 -1.75 119.26 121.85 1oo5 h ALA 136 Ca 0.38 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1oo5 h ALA 136 Cb 1.64 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 1oo5 h ALA 136 CO -0.00 0.68 -0.95 1.05 0.00 0.00 0.00 179.25 180.02 1oo5 h GLU 137 N 0.76 0.00 -0.49 0.00 9.09 -1.37 -2.13 114.58 120.44 1oo5 h GLU 137 Ca 0.06 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.36 1oo5 h GLU 137 Cb 0.97 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.05 1oo5 h GLU 137 CO 0.09 0.68 -0.13 2.35 0.05 0.00 0.00 179.01 182.06 1oo5 h TRP 138 N 0.00 1.08 -0.36 2.06 7.01 -1.03 -0.26 115.95 124.45 1oo5 h TRP 138 Ca -0.06 -0.23 -0.15 0.00 2.11 0.00 0.00 58.89 60.56 1oo5 h TRP 138 Cb 1.64 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 28.43 1oo5 h TRP 138 CO 0.00 1.03 -0.34 0.52 -2.79 0.00 0.00 178.44 176.86 1oo5 h MET 139 N 0.81 0.87 -0.17 2.65 2.86 -1.34 -2.82 114.93 117.79 1oo5 h MET 139 Ca 0.12 -0.45 -0.04 0.00 -2.06 0.00 0.00 59.70 57.27 1oo5 h MET 139 Cb 0.69 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1oo5 h MET 139 CO 0.05 1.10 -0.08 0.00 1.06 0.00 0.00 176.91 179.04 1oo5 h ALA 140 N 0.76 1.57 -0.67 6.32 0.00 -1.10 -2.40 119.26 123.74 1oo5 h ALA 140 Ca 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1oo5 h ALA 140 Cb 0.93 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1oo5 h ALA 140 CO 0.09 0.31 0.27 0.87 0.00 0.00 0.00 179.25 180.79 1oo5 h LYS 141 N 0.24 1.00 -0.28 0.00 1.57 -0.80 -2.58 116.57 115.72 1oo5 h LYS 141 Ca 0.05 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 1oo5 h LYS 141 Cb 0.30 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1oo5 h LYS 141 CO 0.01 0.83 -0.11 1.96 -0.57 0.00 0.00 179.45 181.58 1oo5 h GLN 142 N 0.95 0.47 -0.48 3.15 1.08 -1.30 -2.01 115.11 116.97 1oo5 h GLN 142 Ca 0.22 -0.13 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 1oo5 h GLN 142 Cb 0.21 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1oo5 h GLN 142 CO -0.02 0.59 0.02 0.28 -0.95 0.00 0.00 178.83 178.75 1oo5 h VAL 143 N 0.44 1.24 -0.25 -0.54 2.07 -1.27 -1.04 116.25 116.90 1oo5 h VAL 143 Ca 0.08 -0.97 -0.11 0.00 0.82 0.00 0.00 66.70 66.53 1oo5 h VAL 143 Cb 0.47 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1oo5 h VAL 143 CO 0.03 0.34 -0.30 1.88 0.02 0.00 0.00 177.57 179.54 1oo5 h TYR 144 N 0.73 0.59 -0.58 1.57 -1.99 -1.01 -1.29 116.97 114.98 1oo5 h TYR 144 Ca 0.15 -0.14 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 1oo5 h TYR 144 Cb 0.42 -0.14 -0.03 0.00 2.00 0.00 0.00 36.73 38.99 1oo5 h TYR 144 CO 0.02 0.76 0.23 1.25 -0.00 0.00 0.00 178.16 180.43 1oo5 h LEU 145 N 0.44 0.80 -1.51 3.88 6.46 -0.84 -0.28 115.31 124.27 1oo5 h LEU 145 Ca 0.06 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.63 1oo5 h LEU 145 Cb 0.75 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 1oo5 h LEU 145 CO 0.06 0.75 0.11 -1.13 -0.62 0.00 0.00 178.44 177.61 1oo5 h ASN 146 N 0.81 0.39 -0.21 1.25 -0.73 -0.55 -1.52 115.58 115.02 1oo5 h ASN 146 Ca 0.19 -0.04 -0.15 0.00 1.87 0.00 0.00 56.30 58.18 1oo5 h ASN 146 Cb 0.20 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.69 1oo5 h ASN 146 CO -0.02 0.37 -0.45 0.58 -0.37 0.00 0.00 177.43 177.55 1oo5 h VAL 147 N 0.43 1.32 -0.40 2.57 2.07 -0.08 -0.41 116.25 121.75 1oo5 h VAL 147 Ca 0.11 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 65.93 1oo5 h VAL 147 Cb 0.12 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1oo5 h VAL 147 CO -0.01 0.52 0.13 1.23 0.02 0.00 0.00 177.57 179.46 1oo5 h GLY 148 N 0.37 0.62 0.70 2.17 0.00 -0.62 0.10 103.07 106.41 1oo5 h GLY 148 Ca 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1oo5 h GLY 148 CO 0.10 0.29 -0.06 -0.57 0.00 0.00 0.00 176.54 176.30 1oo5 h ASN 149 N 0.57 -0.14 -0.05 0.19 -1.24 -1.14 -3.09 115.58 110.68 1oo5 h ASN 149 Ca 0.14 -0.25 0.03 0.00 0.71 0.00 0.00 56.30 56.93 1oo5 h ASN 149 Cb 0.17 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.22 1oo5 h ASN 149 CO -0.01 0.18 -0.13 0.15 -1.29 0.00 0.00 177.43 176.33 1oo5 h PHE 150 N -0.47 -0.33 -0.95 0.67 3.57 -0.24 0.10 116.94 119.30 1oo5 h PHE 150 Ca -0.02 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1oo5 h PHE 150 Cb 0.38 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 39.19 1oo5 h PHE 150 CO 0.02 -0.19 0.58 -0.07 -2.23 0.00 0.00 178.31 176.42 1oo5 h LEU 151 N -0.19 0.85 0.03 0.59 3.38 -0.90 0.14 115.31 119.20 1oo5 h LEU 151 Ca 0.06 0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.86 1oo5 h LEU 151 Cb 0.28 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 40.93 1oo5 h LEU 151 CO -0.17 0.47 -0.88 0.25 0.09 0.00 0.00 178.44 178.20 1oo5 h LEU 152 N 0.94 0.73 -0.62 1.67 6.46 -1.44 -2.85 115.31 120.21 1oo5 h LEU 152 Ca 0.46 -0.77 0.01 0.00 -0.12 0.00 0.00 57.88 57.46 1oo5 h LEU 152 Cb 0.43 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 1oo5 h LEU 152 CO -0.25 1.41 0.40 1.23 -0.62 0.00 0.00 178.44 180.61 1oo5 h GLY 153 N 0.13 0.88 1.52 3.75 0.00 -0.23 0.06 103.07 109.18 1oo5 h GLY 153 Ca -0.12 -0.31 -0.17 0.00 0.00 0.00 0.00 47.33 46.73 1oo5 h GLY 153 CO 0.17 0.29 -0.64 -0.39 0.00 0.00 0.00 176.54 175.97 1oo5 h VAL 154 N 0.81 1.35 -0.47 4.60 -1.51 -0.86 -2.79 116.25 117.38 1oo5 h VAL 154 Ca 0.24 -1.96 -0.02 0.00 -1.23 0.00 0.00 66.70 63.72 1oo5 h VAL 154 Cb -0.06 1.94 -0.02 0.00 -2.13 0.00 0.00 31.29 31.03 1oo5 h VAL 154 CO -0.07 0.60 0.19 0.00 -1.23 0.00 0.00 177.57 177.07 1oo5 h ALA 155 N 0.95 1.46 0.00 5.19 0.00 -1.20 0.84 119.26 126.49 1oo5 h ALA 155 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1oo5 h ALA 155 Cb 1.20 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1oo5 h ALA 155 CO 0.12 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1oo5 n ALA 156 N -2.46 2.16 1.16 0.00 0.00 -0.03 -2.01 120.51 119.32 1oo5 n ALA 156 Ca 0.04 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.50 1oo5 n ALA 156 Cb 0.15 -1.39 0.23 0.00 0.00 0.00 0.00 19.45 18.43 1oo5 n ALA 156 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1oo5 n LEU 157 N -1.41 1.51 -0.10 0.00 4.77 0.24 -4.93 117.00 117.08 1oo5 n LEU 157 Ca 0.08 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1oo5 n LEU 157 Cb 0.25 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1oo5 n LEU 157 CO 0.21 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1oo5 n GLY 158 N 1.36 0.63 3.47 -0.72 0.00 -0.85 -5.06 105.19 104.02 1oo5 n GLY 158 Ca 0.11 -0.76 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 1oo5 n GLY 158 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oo5 s LEU 159 N -0.20 2.61 0.12 0.99 1.43 -0.91 -5.00 118.68 117.72 1oo5 s LEU 159 Ca 0.00 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1oo5 s LEU 159 Cb 0.00 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 1oo5 s LEU 159 CO 0.00 0.10 0.26 -1.81 0.23 0.00 0.00 176.35 175.13 1oo5 s ASP 160 N -2.88 6.35 0.19 2.29 1.01 0.23 -4.01 116.67 119.84 1oo5 s ASP 160 Ca 0.24 0.22 -0.24 0.00 0.71 0.00 0.00 52.55 53.48 1oo5 s ASP 160 Cb -0.08 -1.93 0.05 0.00 1.01 0.00 0.00 42.92 41.97 1oo5 s ASP 160 CO 0.12 0.09 0.79 0.00 0.21 0.00 0.00 175.17 176.38 1oo5 s ALA 161 N -1.67 -1.49 -0.22 5.23 0.00 -1.26 -1.31 121.76 121.04 1oo5 s ALA 161 Ca 0.35 0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 1oo5 s ALA 161 Cb -0.12 0.74 0.08 0.00 0.00 0.00 0.00 23.12 23.82 1oo5 s ALA 161 CO 0.28 -0.95 0.52 0.54 0.00 0.00 0.00 175.76 176.15 1oo5 s VAL 162 N -3.60 -0.20 -0.30 0.00 0.11 -1.16 -2.72 120.40 112.52 1oo5 s VAL 162 Ca 0.09 0.07 -0.28 0.00 -2.93 0.00 0.00 61.98 58.92 1oo5 s VAL 162 Cb -0.03 -0.78 0.01 0.00 -1.53 0.00 0.00 36.38 34.05 1oo5 s VAL 162 CO 0.00 0.03 1.04 -2.16 -3.33 0.00 0.00 175.10 170.68 1oo5 s PRO 163 N 1.80 4.09 -0.28 1.54 0.05 -1.26 -3.59 135.00 137.34 1oo5 s PRO 163 Ca -0.08 1.07 -0.10 0.00 0.05 0.00 0.00 61.00 61.94 1oo5 s PRO 163 Cb -0.08 -3.72 -0.04 0.00 0.05 0.00 0.00 34.50 30.71 1oo5 s PRO 163 CO -0.16 -0.84 0.16 0.42 0.05 0.00 0.00 177.00 176.63 1oo5 s ILE 164 N 3.52 4.98 -0.63 0.56 1.09 0.24 -4.88 121.20 126.09 1oo5 s ILE 164 Ca 0.44 -0.02 0.09 0.00 -1.10 0.00 0.00 60.65 60.07 1oo5 s ILE 164 Cb -0.13 -3.40 -0.06 0.00 -1.06 0.00 0.00 42.46 37.81 1oo5 s ILE 164 CO 0.14 0.23 0.49 1.21 -0.10 0.00 0.00 174.94 176.90 1oo5 n GLU 165 N 5.02 3.18 -3.11 2.79 2.13 -1.26 -1.14 120.64 128.26 1oo5 n GLU 165 Ca -0.14 -0.25 -0.45 0.00 0.66 0.00 0.00 57.16 56.97 1oo5 n GLU 165 Cb 0.51 -0.99 -0.02 0.00 0.27 0.00 0.00 31.44 31.22 1oo5 n GLU 165 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1oo5 s GLY 166 N -1.64 2.43 -0.06 8.31 0.00 -1.26 -4.93 107.32 110.17 1oo5 s GLY 166 Ca 0.05 -3.21 -0.29 0.00 0.00 0.00 0.00 44.72 41.27 1oo5 s GLY 166 CO 0.32 1.71 0.89 -0.11 0.00 0.00 0.00 173.10 175.91 1oo5 s PHE 167 N 1.16 -0.40 -0.71 1.90 -0.71 -1.26 -4.87 117.98 113.08 1oo5 s PHE 167 Ca 0.30 0.50 -0.24 0.00 -1.04 0.00 0.00 56.93 56.45 1oo5 s PHE 167 Cb -0.07 0.49 0.05 0.00 -1.21 0.00 0.00 43.02 42.29 1oo5 s PHE 167 CO -0.07 -0.49 1.11 0.34 -1.34 0.00 0.00 175.22 174.78 1oo5 s ASP 168 N -1.79 6.19 0.40 1.98 -1.08 -0.60 -4.87 116.67 116.89 1oo5 s ASP 168 Ca 0.00 -0.80 0.09 0.00 -0.52 0.00 0.00 52.55 51.32 1oo5 s ASP 168 Cb -0.01 -2.48 0.88 0.00 -1.46 0.00 0.00 42.92 39.85 1oo5 s ASP 168 CO -0.03 -1.60 1.97 0.00 0.52 0.00 0.00 175.17 176.03 1oo5 h ALA 169 N 9.75 1.84 -0.67 3.66 0.00 -1.90 -1.00 119.26 130.94 1oo5 h ALA 169 Ca -0.26 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1oo5 h ALA 169 Cb 1.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1oo5 h ALA 169 CO 1.23 0.04 0.33 0.00 0.00 0.00 0.00 179.25 180.85 1oo5 h ALA 170 N 1.66 0.86 -0.24 0.00 0.00 -1.95 0.32 119.26 119.90 1oo5 h ALA 170 Ca 0.29 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.88 1oo5 h ALA 170 Cb 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1oo5 h ALA 170 CO -0.09 0.42 -0.57 0.82 0.00 0.00 0.00 179.25 179.83 1oo5 h ILE 171 N 0.93 1.29 -0.44 0.00 5.03 -1.68 -2.91 117.51 119.73 1oo5 h ILE 171 Ca 0.23 -1.77 -0.10 0.00 -0.12 0.00 0.00 64.86 63.10 1oo5 h ILE 171 Cb 0.11 1.77 -0.02 0.00 -3.03 0.00 0.00 36.82 35.65 1oo5 h ILE 171 CO -0.03 0.57 -0.14 0.25 -0.68 0.00 0.00 178.15 178.12 1oo5 h LEU 172 N 0.55 0.80 0.20 1.44 6.46 -0.93 -0.96 115.31 122.88 1oo5 h LEU 172 Ca -0.00 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.49 1oo5 h LEU 172 Cb 1.18 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 1oo5 h LEU 172 CO 0.12 0.95 -0.10 0.44 -0.62 0.00 0.00 178.44 179.24 1oo5 h ASP 173 N 0.72 -0.23 -0.50 1.25 3.32 -0.39 -2.87 116.42 117.73 1oo5 h ASP 173 Ca 0.12 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1oo5 h ASP 173 Cb 0.64 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1oo5 h ASP 173 CO 0.04 -0.11 0.33 0.00 -1.72 0.00 0.00 179.24 177.78 1oo5 h ALA 174 N 0.45 0.63 -0.07 3.45 0.00 -1.44 0.03 119.26 122.32 1oo5 h ALA 174 Ca -0.03 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1oo5 h ALA 174 Cb 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1oo5 h ALA 174 CO 0.05 0.08 0.07 1.49 0.00 0.00 0.00 179.25 180.94 1oo5 h GLU 175 N 0.67 0.00 -0.01 0.00 4.57 -1.07 -2.98 114.58 115.76 1oo5 h GLU 175 Ca 0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1oo5 h GLU 175 Cb -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 1oo5 h GLU 175 CO -0.04 0.00 -0.04 1.19 -1.18 0.00 0.00 179.01 178.95 1oo5 n PHE 176 N -3.95 0.00 -0.81 0.92 3.72 -1.08 -4.99 117.46 111.27 1oo5 n PHE 176 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1oo5 n PHE 176 Cb 0.17 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 1oo5 n PHE 176 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1oo5 n GLY 177 N 0.55 0.52 3.73 1.37 0.00 -0.81 -5.05 105.19 105.50 1oo5 n GLY 177 Ca 0.05 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 1oo5 n GLY 177 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oo5 s LEU 178 N 0.00 1.63 0.00 0.99 1.43 -0.07 -3.35 118.68 119.31 1oo5 s LEU 178 Ca 0.00 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1oo5 s LEU 178 Cb 0.00 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.32 1oo5 s LEU 178 CO 0.00 -3.16 0.00 1.17 0.23 0.00 0.00 176.35 174.59 1oo5 n LYS 179 N -4.15 0.00 0.09 1.70 4.81 -0.78 -4.45 118.16 115.40 1oo5 n LYS 179 Ca 0.09 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.36 1oo5 n LYS 179 Cb 0.59 -0.70 -0.14 0.00 0.02 0.00 0.00 35.03 34.79 1oo5 n LYS 179 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1oo5 h GLU 180 N 0.06 0.30 -0.07 1.64 3.07 -1.86 -3.18 114.58 114.55 1oo5 h GLU 180 Ca 0.00 -0.51 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 1oo5 h GLU 180 Cb 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1oo5 h GLU 180 CO 0.00 1.21 0.00 1.63 -1.40 0.00 0.00 179.01 180.45 1oo5 n LYS 181 N -3.53 2.01 -1.63 2.33 5.02 -1.24 -4.96 118.16 116.17 1oo5 n LYS 181 Ca -0.13 -1.47 0.00 0.00 -2.02 0.00 0.00 58.31 54.69 1oo5 n LYS 181 Cb 1.04 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 1oo5 n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oo5 n GLY 182 N 1.27 0.54 3.33 0.72 0.00 -1.20 -4.98 105.19 104.87 1oo5 n GLY 182 Ca 0.17 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 1oo5 n GLY 182 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oo5 s TYR 183 N -2.60 1.16 0.04 1.61 1.51 -1.26 -1.04 117.35 116.76 1oo5 s TYR 183 Ca 0.00 -1.33 -0.21 0.00 -1.01 0.00 0.00 57.07 54.52 1oo5 s TYR 183 Cb 0.00 -0.39 0.05 0.00 -0.11 0.00 0.00 41.96 41.50 1oo5 s TYR 183 CO 0.00 -0.84 0.48 0.99 -1.11 0.00 0.00 175.55 175.08 1oo5 s THR 184 N -3.78 0.04 0.32 -0.71 2.01 -0.84 -1.86 115.64 110.82 1oo5 s THR 184 Ca 0.35 -0.31 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 1oo5 s THR 184 Cb 0.03 -0.95 -0.07 0.00 0.01 0.00 0.00 72.50 71.52 1oo5 s THR 184 CO 0.17 -0.17 0.68 -0.44 -0.69 0.00 0.00 174.62 174.16 1oo5 s SER 185 N -1.89 6.63 0.00 3.53 0.01 -1.26 -1.71 113.70 119.01 1oo5 s SER 185 Ca -0.06 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.28 1oo5 s SER 185 Cb -0.01 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1oo5 s SER 185 CO -0.01 -0.23 0.00 0.18 0.41 0.00 0.00 173.24 173.60 1oo5 n LEU 186 N -0.63 0.24 -3.86 2.44 4.77 -0.88 -4.90 117.00 114.17 1oo5 n LEU 186 Ca 0.02 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 1oo5 n LEU 186 Cb 0.53 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.50 1oo5 n LEU 186 CO 0.45 -0.15 -0.26 -0.69 -1.33 0.00 0.00 177.39 175.40 1oo5 s VAL 187 N -1.53 0.03 -0.12 4.08 1.01 -1.23 -4.75 120.40 117.88 1oo5 s VAL 187 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1oo5 s VAL 187 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.18 1oo5 s VAL 187 CO 0.00 -0.12 -0.17 -0.69 0.00 0.00 0.00 175.10 174.11 1oo5 s VAL 188 N -0.36 2.64 -0.38 2.92 1.01 -0.29 -0.40 120.40 125.54 1oo5 s VAL 188 Ca -0.04 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1oo5 s VAL 188 Cb -0.03 -2.08 0.12 0.00 0.00 0.00 0.00 36.38 34.39 1oo5 s VAL 188 CO 0.00 0.54 0.16 -0.69 0.00 0.00 0.00 175.10 175.10 1oo5 s VAL 189 N 0.39 1.49 0.13 2.92 1.01 0.15 0.82 120.40 127.31 1oo5 s VAL 189 Ca -0.13 -2.18 -0.30 0.00 0.00 0.00 0.00 61.98 59.36 1oo5 s VAL 189 Cb -0.17 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 34.07 1oo5 s VAL 189 CO 0.06 -0.76 1.18 -2.84 0.00 0.00 0.00 175.10 172.75 1oo5 s PRO 190 N 0.84 4.48 0.05 2.72 0.02 -1.24 -2.12 135.00 139.76 1oo5 s PRO 190 Ca 0.14 1.80 0.07 0.00 0.02 0.00 0.00 61.00 63.03 1oo5 s PRO 190 Cb -0.21 -3.29 -0.03 0.00 0.02 0.00 0.00 34.50 30.99 1oo5 s PRO 190 CO -0.10 -0.14 -0.21 0.08 -0.33 0.00 0.00 177.00 176.30 1oo5 s VAL 191 N 0.43 1.67 -3.32 3.83 1.01 0.12 -3.00 120.40 121.15 1oo5 s VAL 191 Ca 0.55 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1oo5 s VAL 191 Cb -0.31 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1oo5 s VAL 191 CO 0.33 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1oo5 n GLY 192 N 1.77 -0.54 3.49 4.51 0.00 -0.43 -1.61 105.19 112.38 1oo5 n GLY 192 Ca -0.17 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 1oo5 n GLY 192 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oo5 s HIS 193 N -4.00 2.61 0.47 1.61 3.76 -1.26 0.76 115.29 119.24 1oo5 s HIS 193 Ca 0.00 -0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 54.58 1oo5 s HIS 193 Cb 0.00 -1.45 -0.06 0.00 1.11 0.00 0.00 32.58 32.18 1oo5 s HIS 193 CO 0.00 0.32 0.85 -3.38 -0.85 0.00 0.00 174.74 171.68 1oo5 s HIS 194 N -1.02 3.50 0.41 1.40 -0.00 -1.26 -1.29 115.29 117.03 1oo5 s HIS 194 Ca 0.16 1.13 0.07 0.00 -0.00 0.00 0.00 55.06 56.43 1oo5 s HIS 194 Cb -0.11 -2.53 -0.04 0.00 -0.00 0.00 0.00 32.58 29.90 1oo5 s HIS 194 CO 0.08 -0.27 0.25 -1.54 -0.00 0.00 0.00 174.74 173.25 1oo5 s SER 195 N -3.43 4.66 0.10 7.38 1.04 -0.78 -4.46 113.70 118.20 1oo5 s SER 195 Ca 0.53 -0.94 0.12 0.00 0.48 0.00 0.00 55.95 56.13 1oo5 s SER 195 Cb -0.10 -0.53 0.54 0.00 0.10 0.00 0.00 66.02 66.02 1oo5 s SER 195 CO 0.37 -0.56 1.36 1.33 0.98 0.00 0.00 173.24 176.71 1oo5 n VAL 196 N -1.34 1.37 1.36 5.02 0.24 -1.26 -1.67 118.33 122.05 1oo5 n VAL 196 Ca 0.00 0.43 0.15 0.00 -2.04 0.00 0.00 64.34 62.88 1oo5 n VAL 196 Cb 0.63 -1.35 0.73 0.00 -1.47 0.00 0.00 33.84 32.39 1oo5 n VAL 196 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1oo5 n GLU 197 N -1.75 0.38 -2.78 7.34 4.71 -1.26 -4.62 120.64 122.66 1oo5 n GLU 197 Ca 0.01 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.74 1oo5 n GLU 197 Cb 0.09 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 28.98 1oo5 n GLU 197 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1oo5 s ASP 198 N -2.62 6.28 0.22 1.62 3.68 -0.67 -4.72 116.67 120.46 1oo5 s ASP 198 Ca 0.27 -0.50 0.01 0.00 2.13 0.00 0.00 52.55 54.45 1oo5 s ASP 198 Cb 0.20 -2.46 0.22 0.00 -1.45 0.00 0.00 42.92 39.43 1oo5 s ASP 198 CO 0.46 -1.39 1.56 2.19 0.13 0.00 0.00 175.17 178.12 1oo5 h PHE 199 N 9.50 0.49 0.00 -5.34 -5.15 -1.88 -3.27 116.94 111.30 1oo5 h PHE 199 Ca -0.27 -0.17 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 1oo5 h PHE 199 Cb 1.07 -0.09 0.00 0.00 0.22 0.00 0.00 35.95 37.14 1oo5 h PHE 199 CO 0.97 0.85 0.00 -1.71 -2.00 0.00 0.00 178.31 176.41 1oo5 n ASN 200 N -3.94 0.00 0.07 -0.68 5.15 -1.26 -2.36 115.26 112.24 1oo5 n ASN 200 Ca -0.03 0.07 -0.01 0.00 -0.60 0.00 0.00 54.58 54.01 1oo5 n ASN 200 Cb 0.58 -0.16 -0.05 0.00 -0.53 0.00 0.00 39.78 39.62 1oo5 n ASN 200 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1oo5 h ALA 201 N 2.23 0.62 0.00 5.20 0.00 -1.91 -3.35 119.26 122.05 1oo5 h ALA 201 Ca 0.00 -0.76 -0.28 0.00 0.00 0.00 0.00 54.91 53.87 1oo5 h ALA 201 Cb 0.02 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1oo5 h ALA 201 CO 0.00 0.92 -2.00 2.41 0.00 0.00 0.00 179.25 180.58 1oo5 n THR 202 N -3.11 1.29 -2.17 0.00 -1.04 -1.00 -4.96 114.28 103.29 1oo5 n THR 202 Ca -0.04 -0.78 -0.40 0.00 -2.04 0.00 0.00 64.05 60.79 1oo5 n THR 202 Cb 0.84 -0.62 -0.02 0.00 -1.82 0.00 0.00 70.33 68.70 1oo5 n THR 202 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1oo5 s LEU 203 N -5.62 4.34 0.67 -4.42 1.02 -1.19 -5.01 118.68 108.48 1oo5 s LEU 203 Ca -0.07 2.57 -0.14 0.00 0.02 0.00 0.00 54.13 56.51 1oo5 s LEU 203 Cb 0.08 -3.78 0.01 0.00 0.02 0.00 0.00 46.19 42.51 1oo5 s LEU 203 CO 0.83 -0.60 1.10 -2.16 0.02 0.00 0.00 176.35 175.55 1oo5 s PRO 204 N -1.96 2.74 0.23 1.29 0.04 -1.26 -4.97 135.00 131.11 1oo5 s PRO 204 Ca 0.52 1.34 -0.28 0.00 0.04 0.00 0.00 61.00 62.63 1oo5 s PRO 204 Cb -0.37 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 1oo5 s PRO 204 CO 0.48 -1.29 0.88 0.21 0.04 0.00 0.00 177.00 177.32 1oo5 s LYS 205 N -4.23 4.70 -0.00 4.56 2.20 -1.26 -5.07 119.74 120.64 1oo5 s LYS 205 Ca 0.66 1.34 0.03 0.00 -0.36 0.00 0.00 55.97 57.64 1oo5 s LYS 205 Cb -0.20 -3.18 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1oo5 s LYS 205 CO 0.44 0.49 -0.10 0.45 -0.36 0.00 0.00 175.35 176.27 1oo5 s SER 206 N -1.26 1.12 0.04 1.43 0.15 -1.26 -5.14 113.70 108.78 1oo5 s SER 206 Ca 0.41 -0.19 -0.18 0.00 0.70 0.00 0.00 55.95 56.69 1oo5 s SER 206 Cb -0.24 -0.12 0.04 0.00 -1.71 0.00 0.00 66.02 63.99 1oo5 s SER 206 CO 0.29 0.10 0.41 -0.13 1.20 0.00 0.00 173.24 175.11 1oo5 s ARG 207 N -0.30 0.91 0.49 5.44 1.81 -1.26 -5.16 118.95 120.88 1oo5 s ARG 207 Ca 0.03 -0.35 -0.21 0.00 -1.72 0.00 0.00 55.73 53.48 1oo5 s ARG 207 Cb -0.04 0.41 -0.07 0.00 -0.45 0.00 0.00 34.95 34.80 1oo5 s ARG 207 CO -0.00 -0.31 1.14 -0.51 -0.68 0.00 0.00 175.30 174.94 1oo5 s LEU 208 N -1.95 3.90 0.62 2.53 1.43 -1.26 -4.97 118.68 118.97 1oo5 s LEU 208 Ca -0.06 2.21 -0.19 0.00 -1.03 0.00 0.00 54.13 55.07 1oo5 s LEU 208 Cb -0.01 -4.40 -0.03 0.00 0.03 0.00 0.00 46.19 41.78 1oo5 s LEU 208 CO -0.02 -1.01 1.19 -0.81 0.23 0.00 0.00 176.35 175.93 1oo5 n PRO 209 N -0.82 1.12 0.32 1.29 -0.04 -1.26 -4.87 135.00 130.74 1oo5 n PRO 209 Ca 0.09 0.43 0.20 0.00 -0.04 0.00 0.00 63.50 64.18 1oo5 n PRO 209 Cb 0.50 -2.41 1.06 0.00 -0.04 0.00 0.00 33.50 32.61 1oo5 n PRO 209 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1oo5 h GLN 210 N 0.65 0.00 0.00 0.54 4.20 -1.95 -1.92 115.11 116.63 1oo5 h GLN 210 Ca -0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1oo5 h GLN 210 Cb 1.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.12 1oo5 h GLN 210 CO 0.53 0.01 0.00 0.27 -0.67 0.00 0.00 178.83 178.97 1oo5 n ASN 211 N -3.26 0.00 -0.06 1.46 0.23 -1.26 -1.27 115.26 111.10 1oo5 n ASN 211 Ca -0.02 -0.14 -0.08 0.00 -0.53 0.00 0.00 54.58 53.80 1oo5 n ASN 211 Cb 0.12 -0.24 -0.06 0.00 -2.08 0.00 0.00 39.78 37.52 1oo5 n ASN 211 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1oo5 n ILE 212 N -1.24 0.71 0.89 1.53 5.41 -0.73 -4.72 119.36 121.21 1oo5 n ILE 212 Ca 0.12 -0.29 0.10 0.00 1.00 0.00 0.00 62.75 63.68 1oo5 n ILE 212 Cb 0.16 -0.91 -0.06 0.00 -0.71 0.00 0.00 39.64 38.11 1oo5 n ILE 212 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1oo5 n THR 213 N -2.80 0.01 -4.62 1.39 -2.24 -1.19 -4.97 114.28 99.87 1oo5 n THR 213 Ca -0.21 -0.06 -0.23 0.00 -2.27 0.00 0.00 64.05 61.28 1oo5 n THR 213 Cb 0.74 0.77 -0.16 0.00 -2.10 0.00 0.00 70.33 69.58 1oo5 n THR 213 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1oo5 s LEU 214 N -3.18 1.86 -0.11 3.22 0.20 -0.40 -5.07 118.68 115.20 1oo5 s LEU 214 Ca 0.07 -0.27 0.03 0.00 0.69 0.00 0.00 54.13 54.65 1oo5 s LEU 214 Cb 0.16 -0.76 0.01 0.00 -0.43 0.00 0.00 46.19 45.17 1oo5 s LEU 214 CO 0.85 0.11 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.94 1oo5 s THR 215 N 0.09 1.77 -0.21 3.68 2.01 -1.26 -4.64 115.64 117.07 1oo5 s THR 215 Ca -0.03 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.08 1oo5 s THR 215 Cb -0.10 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 1oo5 s THR 215 CO 0.01 0.49 0.04 -1.61 -0.69 0.00 0.00 174.62 172.87 1oo5 s GLU 216 N 0.68 3.74 0.00 4.92 2.02 -1.26 -5.24 118.70 123.56 1oo5 s GLU 216 Ca -0.12 -0.45 0.00 0.00 0.02 0.00 0.00 54.97 54.41 1oo5 s GLU 216 Cb -0.16 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.87 1oo5 s GLU 216 CO 0.03 0.03 0.20 1.33 0.02 0.00 0.00 175.26 176.87