#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oo5 n ASP 2 N 0.00 0.00 0.25 7.83 2.03 -1.26 -3.81 116.55 121.60 1oo5 n ASP 2 Ca 0.00 0.14 0.13 0.00 0.52 0.00 0.00 54.79 55.57 1oo5 n ASP 2 Cb 0.00 -0.20 0.66 0.00 -0.72 0.00 0.00 41.12 40.86 1oo5 n ASP 2 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1oo5 h ILE 3 N 0.00 0.50 -0.31 5.18 -0.00 -2.02 -2.82 117.51 118.03 1oo5 h ILE 3 Ca 0.00 -0.69 -0.03 0.00 -0.00 0.00 0.00 64.86 64.14 1oo5 h ILE 3 Cb 0.00 1.47 -0.01 0.00 -0.00 0.00 0.00 36.82 38.28 1oo5 h ILE 3 CO 0.00 0.14 0.09 0.40 -0.00 0.00 0.00 178.15 178.78 1oo5 h ILE 4 N 0.00 1.21 -0.61 0.16 1.08 -1.99 0.69 117.51 118.05 1oo5 h ILE 4 Ca -0.00 -0.68 -0.01 0.00 -0.39 0.00 0.00 64.86 63.78 1oo5 h ILE 4 Cb 0.46 1.06 -0.03 0.00 -3.07 0.00 0.00 36.82 35.24 1oo5 h ILE 4 CO 0.02 0.23 0.35 0.77 -0.69 0.00 0.00 178.15 178.82 1oo5 h SER 5 N 0.35 0.76 -0.09 1.72 4.64 -1.60 0.24 113.55 119.56 1oo5 h SER 5 Ca 0.10 -0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1oo5 h SER 5 Cb 0.26 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.14 1oo5 h SER 5 CO -0.00 0.62 -0.01 0.58 -0.87 0.00 0.00 176.83 177.14 1oo5 h VAL 6 N 0.83 0.92 -0.67 0.95 2.07 -1.25 0.70 116.25 119.81 1oo5 h VAL 6 Ca 0.22 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 1oo5 h VAL 6 Cb 0.02 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1oo5 h VAL 6 CO -0.04 0.00 0.38 0.00 0.02 0.00 0.00 177.57 177.93 1oo5 h ALA 7 N 1.08 1.40 0.00 1.67 0.00 0.93 -0.56 119.26 123.78 1oo5 h ALA 7 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1oo5 h ALA 7 Cb 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1oo5 h ALA 7 CO -0.08 0.50 -0.47 -0.07 0.00 0.00 0.00 179.25 179.13 1oo5 h LEU 8 N 0.93 0.00 0.00 0.00 3.38 -0.55 -3.35 115.31 115.72 1oo5 h LEU 8 Ca 0.24 -0.07 -0.27 0.00 0.09 0.00 0.00 57.88 57.87 1oo5 h LEU 8 Cb 0.01 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1oo5 h LEU 8 CO -0.04 0.04 -2.05 0.29 0.09 0.00 0.00 178.44 176.76 1oo5 n LYS 9 N -2.51 0.66 -1.56 1.13 4.76 0.20 -4.91 118.16 115.93 1oo5 n LYS 9 Ca 0.03 0.06 -0.36 0.00 -2.87 0.00 0.00 58.31 55.17 1oo5 n LYS 9 Cb 0.49 -1.62 0.08 0.00 -1.84 0.00 0.00 35.03 32.14 1oo5 n LYS 9 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1oo5 s ARG 10 N -2.72 2.30 0.17 1.97 1.70 -0.25 -5.03 118.95 117.08 1oo5 s ARG 10 Ca -0.08 1.92 -0.17 0.00 -0.47 0.00 0.00 55.73 56.93 1oo5 s ARG 10 Cb 0.08 -1.83 0.03 0.00 -0.57 0.00 0.00 34.95 32.66 1oo5 s ARG 10 CO 0.84 -1.75 0.47 -3.38 -1.08 0.00 0.00 175.30 170.40 1oo5 s HIS 11 N -1.69 -0.14 -0.93 5.89 -3.43 -1.26 -5.01 115.29 108.71 1oo5 s HIS 11 Ca 0.78 -0.18 -0.23 0.00 -0.80 0.00 0.00 55.06 54.63 1oo5 s HIS 11 Cb -0.33 0.33 0.06 0.00 -1.43 0.00 0.00 32.58 31.21 1oo5 s HIS 11 CO 0.43 -0.83 1.34 -1.12 -2.00 0.00 0.00 174.74 172.56 1oo5 s SER 12 N -2.85 6.43 0.28 7.38 0.01 -1.26 -4.48 113.70 119.20 1oo5 s SER 12 Ca 0.07 -1.29 -0.30 0.00 1.31 0.00 0.00 55.95 55.74 1oo5 s SER 12 Cb 0.00 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.58 1oo5 s SER 12 CO -0.06 -1.52 1.63 0.42 0.41 0.00 0.00 173.24 174.12 1oo5 s THR 13 N 4.78 2.03 -0.61 1.44 -4.23 -1.22 -4.84 115.64 112.98 1oo5 s THR 13 Ca 0.40 0.02 0.20 0.00 -1.18 0.00 0.00 61.69 61.13 1oo5 s THR 13 Cb -0.03 -3.01 -0.25 0.00 1.34 0.00 0.00 72.50 70.54 1oo5 s THR 13 CO -0.03 0.00 0.70 0.29 -0.54 0.00 0.00 174.62 175.04 1oo5 n LYS 14 N 2.59 0.55 -3.74 3.99 4.76 -1.26 -4.57 118.16 120.48 1oo5 n LYS 14 Ca 0.10 -0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.34 1oo5 n LYS 14 Cb 0.37 -1.45 -0.14 0.00 -1.84 0.00 0.00 35.03 31.97 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 -3.05 -0.26 0.14 7.82 0.00 -1.26 -4.77 121.76 120.38 1oo5 s ALA 15 Ca 0.02 0.68 0.05 0.00 0.00 0.00 0.00 51.96 52.71 1oo5 s ALA 15 Cb 0.14 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1oo5 s ALA 15 CO 0.82 -0.19 0.09 -0.06 0.00 0.00 0.00 175.76 176.42 1oo5 s PHE 16 N 1.28 3.11 -0.58 0.00 0.08 -1.26 -1.56 117.98 119.04 1oo5 s PHE 16 Ca -0.08 -0.01 -0.18 0.00 0.12 0.00 0.00 56.93 56.78 1oo5 s PHE 16 Cb -0.12 -1.52 0.11 0.00 -0.57 0.00 0.00 43.02 40.92 1oo5 s PHE 16 CO -0.06 0.52 0.64 0.34 -0.10 0.00 0.00 175.22 176.56 1oo5 s ASP 17 N -2.84 6.18 0.35 1.36 3.68 0.45 -4.56 116.67 121.29 1oo5 s ASP 17 Ca 0.30 -1.54 0.13 0.00 2.13 0.00 0.00 52.55 53.56 1oo5 s ASP 17 Cb -0.11 -2.27 0.97 0.00 -1.45 0.00 0.00 42.92 40.06 1oo5 s ASP 17 CO 0.22 -1.04 1.75 0.00 0.13 0.00 0.00 175.17 176.23 1oo5 h ALA 18 N 9.10 1.96 0.00 3.66 0.00 -1.86 -1.44 119.26 130.68 1oo5 h ALA 18 Ca -0.30 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1oo5 h ALA 18 Cb 1.09 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1oo5 h ALA 18 CO 1.08 -0.41 -0.47 0.66 0.00 0.00 0.00 179.25 180.12 1oo5 h SER 19 N 0.52 0.00 -2.51 0.00 4.64 -1.93 -3.41 113.55 110.86 1oo5 h SER 19 Ca 0.63 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.41 1oo5 h SER 19 Cb 1.33 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.36 1oo5 h SER 19 CO -0.40 0.47 1.13 -0.54 -0.87 0.00 0.00 176.83 176.62 1oo5 s LYS 20 N -3.89 3.14 0.47 4.77 3.01 -0.54 -4.99 119.74 121.70 1oo5 s LYS 20 Ca -0.02 0.22 0.08 0.00 -1.01 0.00 0.00 55.97 55.25 1oo5 s LYS 20 Cb 0.13 -4.19 0.03 0.00 -1.01 0.00 0.00 37.83 32.79 1oo5 s LYS 20 CO 0.73 -2.16 0.62 0.15 0.51 0.00 0.00 175.35 175.20 1oo5 s LYS 21 N 5.86 2.64 0.22 1.68 -0.14 -1.26 -4.37 119.74 124.37 1oo5 s LYS 21 Ca 0.48 -1.40 -0.20 0.00 -1.36 0.00 0.00 55.97 53.49 1oo5 s LYS 21 Cb -0.10 -2.68 -0.08 0.00 -1.68 0.00 0.00 37.83 33.29 1oo5 s LYS 21 CO 0.21 -0.44 0.73 -0.51 -0.76 0.00 0.00 175.35 174.57 1oo5 s LEU 22 N -4.42 4.36 0.57 3.17 1.43 -1.26 -4.98 118.68 117.54 1oo5 s LEU 22 Ca 0.56 1.45 -0.17 0.00 -1.03 0.00 0.00 54.13 54.94 1oo5 s LEU 22 Cb -0.08 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 1oo5 s LEU 22 CO 0.34 0.05 1.06 0.28 0.23 0.00 0.00 176.35 178.31 1oo5 s THR 23 N -1.49 3.71 0.33 5.49 -1.32 -1.26 -4.82 115.64 116.28 1oo5 s THR 23 Ca 0.42 0.89 0.11 0.00 -1.21 0.00 0.00 61.69 61.90 1oo5 s THR 23 Cb -0.17 -3.37 0.33 0.00 -1.51 0.00 0.00 72.50 67.78 1oo5 s THR 23 CO 0.21 -0.40 1.65 -0.65 -2.21 0.00 0.00 174.62 173.22 1oo5 h PRO 24 N 0.73 0.25 -0.21 7.08 0.11 -2.00 -0.44 132.00 137.53 1oo5 h PRO 24 Ca -0.48 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.41 1oo5 h PRO 24 Cb 1.23 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.28 1oo5 h PRO 24 CO 0.57 0.17 -0.68 0.93 -0.21 0.00 0.00 178.00 178.78 1oo5 h GLU 25 N 0.26 0.82 -0.34 1.05 4.39 -2.01 -3.12 114.58 115.63 1oo5 h GLU 25 Ca 0.69 -0.61 0.02 0.00 0.34 0.00 0.00 59.36 59.80 1oo5 h GLU 25 Cb 1.55 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 30.29 1oo5 h GLU 25 CO -0.64 1.22 0.23 1.96 -1.16 0.00 0.00 179.01 180.62 1oo5 h GLN 26 N 0.59 0.39 -0.50 2.33 4.20 -1.46 -0.97 115.11 119.69 1oo5 h GLN 26 Ca -0.03 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 1oo5 h GLN 26 Cb 1.30 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 1oo5 h GLN 26 CO 0.14 0.26 -0.11 0.00 -0.67 0.00 0.00 178.83 178.45 1oo5 h ALA 27 N 1.80 0.87 -0.09 3.87 0.00 -1.33 -2.15 119.26 122.21 1oo5 h ALA 27 Ca 0.13 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 1oo5 h ALA 27 Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1oo5 h ALA 27 CO -0.03 0.65 -0.76 0.93 0.00 0.00 0.00 179.25 180.03 1oo5 h GLU 28 N 0.83 0.52 -0.64 0.00 4.39 -1.27 -3.21 114.58 115.20 1oo5 h GLU 28 Ca 0.13 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 1oo5 h GLU 28 Cb 0.64 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.35 1oo5 h GLU 28 CO 0.04 1.07 0.37 1.96 -1.16 0.00 0.00 179.01 181.29 1oo5 h GLN 29 N 0.35 0.88 0.00 2.33 4.20 -0.99 -1.20 115.11 120.68 1oo5 h GLN 29 Ca -0.04 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1oo5 h GLN 29 Cb 1.36 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 1oo5 h GLN 29 CO 0.14 0.65 -0.30 -0.84 -0.67 0.00 0.00 178.83 177.81 1oo5 h ILE 30 N 0.87 1.11 -0.20 2.54 3.07 -1.46 -1.24 117.51 122.20 1oo5 h ILE 30 Ca 0.23 -1.08 -0.14 0.00 1.55 0.00 0.00 64.86 65.42 1oo5 h ILE 30 Cb 0.01 1.60 0.00 0.00 -0.27 0.00 0.00 36.82 38.16 1oo5 h ILE 30 CO -0.04 0.30 -0.43 0.11 -1.05 0.00 0.00 178.15 177.03 1oo5 h LYS 31 N 0.00 0.64 -0.62 0.16 1.57 -1.43 -2.12 116.57 114.77 1oo5 h LYS 31 Ca -0.00 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1oo5 h LYS 31 Cb 0.57 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1oo5 h LYS 31 CO 0.04 1.05 0.40 1.15 -0.57 0.00 0.00 179.45 181.52 1oo5 h THR 32 N 0.33 1.17 -0.73 -0.16 2.02 -0.83 -1.54 112.91 113.17 1oo5 h THR 32 Ca 0.00 -0.33 0.08 0.00 0.77 0.00 0.00 66.41 66.93 1oo5 h THR 32 Cb 1.04 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 67.66 1oo5 h THR 32 CO 0.10 0.17 0.39 0.25 0.37 0.00 0.00 175.52 176.79 1oo5 h LEU 33 N 0.85 0.53 -0.88 2.58 5.85 -1.09 -0.29 115.31 122.87 1oo5 h LEU 33 Ca 0.23 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.91 1oo5 h LEU 33 Cb -0.07 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1oo5 h LEU 33 CO -0.05 0.32 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.18 1oo5 h LEU 34 N 0.67 0.69 0.11 2.25 3.38 -0.68 -3.31 115.31 118.42 1oo5 h LEU 34 Ca 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1oo5 h LEU 34 Cb 0.32 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1oo5 h LEU 34 CO -0.24 0.83 -0.05 -0.61 0.09 0.00 0.00 178.44 178.46 1oo5 h GLN 35 N 0.64 -0.14 -0.82 1.13 4.15 -0.25 -3.35 115.11 116.47 1oo5 h GLN 35 Ca 0.11 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.54 1oo5 h GLN 35 Cb 0.57 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1oo5 h GLN 35 CO 0.04 0.34 0.00 0.66 -1.93 0.00 0.00 178.83 177.93 1oo5 n TYR 36 N -4.90 0.31 -2.42 3.99 4.02 -0.24 -4.91 117.16 113.01 1oo5 n TYR 36 Ca -0.08 -0.11 -0.35 0.00 -0.01 0.00 0.00 57.90 57.34 1oo5 n TYR 36 Cb 0.27 -0.14 -0.02 0.00 -0.02 0.00 0.00 39.34 39.43 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 -0.25 6.25 0.94 7.72 0.15 -1.24 -5.02 113.70 122.25 1oo5 s SER 37 Ca 0.09 2.08 -0.15 0.00 0.70 0.00 0.00 55.95 58.67 1oo5 s SER 37 Cb 0.06 -2.58 0.17 0.00 -1.71 0.00 0.00 66.02 61.96 1oo5 s SER 37 CO 0.03 -0.85 1.25 -2.16 1.20 0.00 0.00 173.24 172.71 1oo5 s PRO 38 N -2.98 0.88 -0.24 5.44 0.04 -1.26 -5.02 135.00 131.86 1oo5 s PRO 38 Ca 0.66 -0.18 -0.29 0.00 0.04 0.00 0.00 61.00 61.23 1oo5 s PRO 38 Cb -0.22 -1.85 0.16 0.00 0.04 0.00 0.00 34.50 32.63 1oo5 s PRO 38 CO 0.26 -2.29 1.20 -1.54 0.04 0.00 0.00 177.00 174.67 1oo5 s SER 39 N -4.65 -0.21 -0.28 6.66 1.04 -1.26 -4.74 113.70 110.26 1oo5 s SER 39 Ca 0.70 0.28 -0.40 0.00 0.48 0.00 0.00 55.95 57.00 1oo5 s SER 39 Cb -0.07 0.24 -0.16 0.00 0.10 0.00 0.00 66.02 66.13 1oo5 s SER 39 CO 0.52 -0.16 1.73 -0.24 0.98 0.00 0.00 173.24 176.07 1oo5 n SER 40 N 0.92 2.31 -0.66 7.02 2.88 -1.26 0.02 113.62 124.86 1oo5 n SER 40 Ca -0.07 1.08 -0.09 0.00 -1.33 0.00 0.00 58.87 58.47 1oo5 n SER 40 Cb 0.58 -1.13 -0.04 0.00 -0.75 0.00 0.00 64.21 62.87 1oo5 n SER 40 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1oo5 n THR 41 N 4.51 0.00 -2.22 2.46 -2.24 -1.26 -2.39 114.28 113.13 1oo5 n THR 41 Ca 0.26 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.85 1oo5 n THR 41 Cb 0.12 -1.36 -0.02 0.00 -2.10 0.00 0.00 70.33 66.97 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 -1.03 -5.55 0.27 3.42 4.05 0.10 -4.89 115.26 111.63 1oo5 n ASN 42 Ca -0.09 0.08 0.14 0.00 0.45 0.00 0.00 54.58 55.16 1oo5 n ASN 42 Cb 0.54 -4.62 0.75 0.00 1.23 0.00 0.00 39.78 37.68 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 0.00 0.00 -6.95 1.20 4.64 -1.65 -3.47 113.55 107.32 1oo5 h SER 43 Ca -0.45 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.27 1oo5 h SER 43 Cb 1.33 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.33 1oo5 h SER 43 CO 0.55 0.11 -0.99 0.00 -0.87 0.00 0.00 176.83 175.63 1oo5 n GLN 44 N -3.55 -0.75 -1.00 4.77 6.02 -1.26 -4.75 117.38 116.85 1oo5 n GLN 44 Ca -0.02 0.11 -0.29 0.00 -0.01 0.00 0.00 57.00 56.80 1oo5 n GLN 44 Cb 0.24 -3.13 -0.03 0.00 1.02 0.00 0.00 30.24 28.34 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 -4.80 2.81 -4.00 -1.09 -0.04 -1.26 -4.82 135.00 121.79 1oo5 n PRO 45 Ca -0.21 -1.76 -0.09 0.00 -0.04 0.00 0.00 63.50 61.40 1oo5 n PRO 45 Cb 0.63 -2.58 -0.08 0.00 -0.04 0.00 0.00 33.50 31.42 1oo5 n PRO 45 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1oo5 s TRP 46 N 2.74 0.47 -0.02 0.54 -2.14 -1.26 -1.62 118.94 117.66 1oo5 s TRP 46 Ca 0.54 -0.89 -0.06 0.00 2.66 0.00 0.00 56.10 58.36 1oo5 s TRP 46 Cb 0.14 -0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.30 1oo5 s TRP 46 CO -0.04 -0.57 0.12 -1.58 -2.66 0.00 0.00 176.95 172.22 1oo5 s HIS 47 N -3.95 -0.02 0.08 1.66 2.46 0.61 -4.93 115.29 111.19 1oo5 s HIS 47 Ca 0.14 0.04 0.06 0.00 0.47 0.00 0.00 55.06 55.77 1oo5 s HIS 47 Cb 0.06 -0.02 -0.03 0.00 -0.13 0.00 0.00 32.58 32.45 1oo5 s HIS 47 CO -0.04 -0.19 -0.17 -0.06 -2.47 0.00 0.00 174.74 171.81 1oo5 s PHE 48 N -0.81 1.42 -0.12 3.88 0.08 -1.26 -0.66 117.98 120.51 1oo5 s PHE 48 Ca -0.09 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 56.52 1oo5 s PHE 48 Cb -0.05 -0.79 0.02 0.00 -0.57 0.00 0.00 43.02 41.63 1oo5 s PHE 48 CO 0.01 0.11 -0.11 0.42 -0.10 0.00 0.00 175.22 175.54 1oo5 s ILE 49 N -1.20 1.27 -0.27 0.64 1.01 -1.06 -4.97 121.20 116.60 1oo5 s ILE 49 Ca 0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 1oo5 s ILE 49 Cb -0.10 -1.22 0.03 0.00 0.01 0.00 0.00 42.46 41.18 1oo5 s ILE 49 CO 0.03 0.41 -0.01 -0.69 0.00 0.00 0.00 174.94 174.67 1oo5 s VAL 50 N 1.49 3.11 -0.33 2.92 1.01 -1.26 -0.59 120.40 126.75 1oo5 s VAL 50 Ca 0.02 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 60.78 1oo5 s VAL 50 Cb -0.13 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1oo5 s VAL 50 CO -0.08 0.07 0.30 0.00 0.00 0.00 0.00 175.10 175.39 1oo5 s ALA 51 N 1.33 3.51 -0.01 5.51 0.00 -0.06 -4.89 121.76 127.15 1oo5 s ALA 51 Ca -0.01 -1.21 0.04 0.00 0.00 0.00 0.00 51.96 50.77 1oo5 s ALA 51 Cb -0.18 -2.71 -0.06 0.00 0.00 0.00 0.00 23.12 20.18 1oo5 s ALA 51 CO -0.02 -0.92 0.07 -1.13 0.00 0.00 0.00 175.76 173.76 1oo5 n SER 52 N 5.24 4.11 -4.75 0.00 3.41 -1.26 -1.02 113.62 119.35 1oo5 n SER 52 Ca -0.11 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.23 1oo5 n SER 52 Cb 0.50 1.07 0.10 0.00 -0.26 0.00 0.00 64.21 65.61 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 -2.24 2.16 0.09 6.66 -4.23 -1.26 -4.87 115.64 111.95 1oo5 s THR 53 Ca -0.01 -0.20 0.10 0.00 -1.18 0.00 0.00 61.69 60.39 1oo5 s THR 53 Cb 0.02 -2.95 -0.10 0.00 1.34 0.00 0.00 72.50 70.81 1oo5 s THR 53 CO 0.16 0.00 1.40 -0.33 -0.54 0.00 0.00 174.62 175.31 1oo5 h GLU 54 N -0.87 0.00 -0.05 3.99 4.39 -1.97 -2.81 114.58 117.26 1oo5 h GLU 54 Ca -0.44 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.20 1oo5 h GLU 54 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1oo5 h GLU 54 CO 0.55 0.78 -0.21 0.93 -1.16 0.00 0.00 179.01 179.91 1oo5 h GLU 55 N 0.00 0.23 -0.26 2.33 3.07 -2.00 -2.94 114.58 115.00 1oo5 h GLU 55 Ca -0.01 -0.18 0.01 0.00 -0.50 0.00 0.00 59.36 58.68 1oo5 h GLU 55 Cb 1.51 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.44 1oo5 h GLU 55 CO 0.10 0.82 0.15 0.78 -1.40 0.00 0.00 179.01 179.47 1oo5 h GLY 56 N -0.31 0.36 1.57 -3.84 0.00 -1.95 -2.46 103.07 96.43 1oo5 h GLY 56 Ca -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1oo5 h GLY 56 CO 0.04 0.11 0.09 0.50 0.00 0.00 0.00 176.54 177.28 1oo5 h LYS 57 N 0.32 0.55 -0.33 4.80 1.57 -1.59 -2.46 116.57 119.44 1oo5 h LYS 57 Ca 0.10 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1oo5 h LYS 57 Cb -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1oo5 h LYS 57 CO -0.05 0.51 -0.34 0.00 -0.57 0.00 0.00 179.45 179.00 1oo5 h ALA 58 N 1.56 0.78 -0.47 3.86 0.00 -1.31 -0.19 119.26 123.49 1oo5 h ALA 58 Ca 0.13 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1oo5 h ALA 58 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1oo5 h ALA 58 CO -0.00 0.65 0.08 0.00 0.00 0.00 0.00 179.25 179.98 1oo5 h ARG 59 N 0.61 0.73 0.04 0.00 3.08 -1.01 -1.98 114.38 115.86 1oo5 h ARG 59 Ca 0.06 -0.15 -0.26 0.00 0.07 0.00 0.00 59.98 59.70 1oo5 h ARG 59 Cb 0.87 -0.11 0.02 0.00 0.08 0.00 0.00 29.97 30.83 1oo5 h ARG 59 CO 0.08 0.69 -1.08 0.28 -1.07 0.00 0.00 179.97 178.86 1oo5 h VAL 60 N 0.70 1.33 0.00 2.04 2.07 -1.24 -3.14 116.25 118.01 1oo5 h VAL 60 Ca 0.15 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.25 1oo5 h VAL 60 Cb 0.31 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1oo5 h VAL 60 CO 0.00 0.73 0.00 0.00 0.02 0.00 0.00 177.57 178.33 1oo5 h ALA 61 N 0.49 1.00 -0.13 1.67 0.00 -0.52 -1.88 119.26 119.89 1oo5 h ALA 61 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1oo5 h ALA 61 Cb 1.74 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1oo5 h ALA 61 CO 0.20 0.00 0.12 0.87 0.00 0.00 0.00 179.25 180.44 1oo5 h LYS 62 N 0.00 0.00 0.00 0.00 1.57 -1.32 0.29 116.57 117.11 1oo5 h LYS 62 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1oo5 h LYS 62 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1oo5 h LYS 62 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 1oo5 n SER 63 N -4.07 0.00 -3.49 0.86 3.41 -0.70 -4.03 113.62 105.60 1oo5 n SER 63 Ca 0.00 -0.39 -0.41 0.00 -0.26 0.00 0.00 58.87 57.81 1oo5 n SER 63 Cb 0.23 -0.20 0.02 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.20 6.20 -4.01 7.33 0.00 0.10 -0.17 120.51 128.77 1oo5 n ALA 64 Ca 0.17 -4.48 -0.22 0.00 0.00 0.00 0.00 53.44 48.91 1oo5 n ALA 64 Cb 0.20 -2.18 -0.01 0.00 0.00 0.00 0.00 19.45 17.45 1oo5 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1oo5 n ALA 65 N -0.05 0.55 -0.92 0.00 0.00 -1.26 -4.10 120.51 114.73 1oo5 n ALA 65 Ca 0.49 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 52.26 1oo5 n ALA 65 Cb 0.26 0.76 0.00 0.00 0.00 0.00 0.00 19.45 20.46 1oo5 n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oo5 n GLY 66 N 0.14 3.88 0.32 0.00 0.00 -1.26 -1.20 105.19 107.08 1oo5 n GLY 66 Ca -0.06 0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 6.52 0.95 -1.62 1.61 6.94 -1.26 -3.81 115.26 124.59 1oo5 n ASN 67 Ca 0.00 -1.88 -0.13 0.00 -0.02 0.00 0.00 54.58 52.55 1oo5 n ASN 67 Cb 0.00 -0.10 0.18 0.00 -2.36 0.00 0.00 39.78 37.50 1oo5 n ASN 67 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1oo5 n TYR 68 N -0.03 1.92 -0.18 -2.53 0.53 -0.34 -4.67 117.16 111.87 1oo5 n TYR 68 Ca 0.09 -1.77 -0.09 0.00 -1.02 0.00 0.00 57.90 55.11 1oo5 n TYR 68 Cb 0.17 -0.69 0.04 0.00 -1.03 0.00 0.00 39.34 37.83 1oo5 n TYR 68 CO 0.00 0.00 0.00 -0.39 -1.02 0.00 0.00 176.86 175.45 1oo5 h VAL 69 N 1.03 1.27 0.00 -0.72 -1.51 -1.71 -3.03 116.25 111.58 1oo5 h VAL 69 Ca 0.39 -1.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.64 1oo5 h VAL 69 Cb 2.07 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 32.16 1oo5 h VAL 69 CO 0.70 0.43 0.05 2.22 -1.23 0.00 0.00 177.57 179.75 1oo5 n PHE 70 N -4.16 0.00 0.52 5.19 1.16 -1.26 -1.21 117.46 117.70 1oo5 n PHE 70 Ca 0.02 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.65 1oo5 n PHE 70 Cb 0.38 -0.30 -0.03 0.00 -1.61 0.00 0.00 39.48 37.92 1oo5 n PHE 70 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1oo5 n ASN 71 N -1.28 0.93 -0.24 5.98 3.02 -1.14 -4.62 115.26 117.90 1oo5 n ASN 71 Ca 0.00 -0.97 -0.06 0.00 -0.03 0.00 0.00 54.58 53.52 1oo5 n ASN 71 Cb 0.05 0.73 0.05 0.00 -0.61 0.00 0.00 39.78 40.00 1oo5 n ASN 71 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1oo5 h GLU 72 N 0.66 0.95 0.15 3.52 4.81 -1.28 -2.96 114.58 120.44 1oo5 h GLU 72 Ca 0.00 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1oo5 h GLU 72 Cb 0.33 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1oo5 h GLU 72 CO 0.00 0.73 -0.39 0.00 -0.73 0.00 0.00 179.01 178.62 1oo5 h ARG 73 N 0.93 -0.62 -0.26 1.92 2.47 -1.82 -2.31 114.38 114.70 1oo5 h ARG 73 Ca 0.24 0.04 0.06 0.00 -1.26 0.00 0.00 59.98 59.06 1oo5 h ARG 73 Cb 0.06 0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 1oo5 h ARG 73 CO -0.04 -0.41 0.18 1.57 0.56 0.00 0.00 179.97 181.83 1oo5 h LYS 74 N -0.65 0.06 0.00 0.04 2.10 -1.85 0.30 116.57 116.58 1oo5 h LYS 74 Ca 0.02 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1oo5 h LYS 74 Cb 0.66 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1oo5 h LYS 74 CO -0.21 0.04 0.00 0.52 -2.00 0.00 0.00 179.45 177.80 1oo5 h MET 75 N 0.07 0.00 0.00 0.07 2.86 -1.26 -2.83 114.93 113.84 1oo5 h MET 75 Ca 0.12 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.43 1oo5 h MET 75 Cb 0.39 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.99 1oo5 h MET 75 CO -0.01 0.00 -2.25 1.28 1.06 0.00 0.00 176.91 176.99 1oo5 n LEU 76 N -3.10 2.88 0.18 1.22 4.77 -0.52 -4.58 117.00 117.85 1oo5 n LEU 76 Ca 0.03 -0.09 0.04 0.00 -0.03 0.00 0.00 56.01 55.96 1oo5 n LEU 76 Cb 0.45 -0.76 0.32 0.00 -2.33 0.00 0.00 43.42 41.10 1oo5 n LEU 76 CO 0.32 0.84 0.65 0.44 -1.33 0.00 0.00 177.39 178.31 1oo5 h ASP 77 N -0.07 0.00 -3.91 -1.43 3.32 -0.57 -3.46 116.42 110.31 1oo5 h ASP 77 Ca -0.50 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.05 1oo5 h ASP 77 Cb 1.74 0.00 0.04 0.00 0.22 0.00 0.00 39.33 41.33 1oo5 h ASP 77 CO -0.10 0.42 0.49 0.00 -1.72 0.00 0.00 179.24 178.33 1oo5 s ALA 78 N -3.68 3.22 0.13 3.45 0.00 -1.07 -3.25 121.76 120.57 1oo5 s ALA 78 Ca -0.01 0.93 -0.25 0.00 0.00 0.00 0.00 51.96 52.63 1oo5 s ALA 78 Cb 0.12 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 1oo5 s ALA 78 CO 0.70 -0.40 1.63 1.03 0.00 0.00 0.00 175.76 178.72 1oo5 h SER 79 N 2.93 -0.83 -4.30 0.00 0.87 -1.69 -3.44 113.55 107.10 1oo5 h SER 79 Ca -0.48 0.12 -0.40 0.00 -1.23 0.00 0.00 61.79 59.80 1oo5 h SER 79 Cb 1.23 0.36 -0.20 0.00 -0.44 0.00 0.00 62.40 63.34 1oo5 h SER 79 CO 0.64 -0.32 -0.76 -1.00 -0.53 0.00 0.00 176.83 174.85 1oo5 s HIS 80 N -6.05 1.27 -0.09 2.24 3.76 -0.55 -4.57 115.29 111.30 1oo5 s HIS 80 Ca -0.15 -0.53 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 1oo5 s HIS 80 Cb 0.10 -0.69 0.02 0.00 1.11 0.00 0.00 32.58 33.13 1oo5 s HIS 80 CO 0.66 0.08 -0.07 0.08 -0.85 0.00 0.00 174.74 174.65 1oo5 s VAL 81 N -1.78 0.87 -0.20 -0.90 1.01 -0.19 0.41 120.40 119.62 1oo5 s VAL 81 Ca 0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 1oo5 s VAL 81 Cb -0.07 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1oo5 s VAL 81 CO 0.02 0.33 0.04 -0.69 0.00 0.00 0.00 175.10 174.79 1oo5 s VAL 82 N 1.42 4.33 -0.35 2.92 1.01 -0.60 -0.88 120.40 128.25 1oo5 s VAL 82 Ca -0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 1oo5 s VAL 82 Cb -0.13 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1oo5 s VAL 82 CO -0.04 0.42 0.23 -0.69 0.00 0.00 0.00 175.10 175.02 1oo5 s VAL 83 N 0.85 5.09 -0.19 2.92 1.01 0.24 0.37 120.40 130.69 1oo5 s VAL 83 Ca 0.02 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.40 1oo5 s VAL 83 Cb -0.14 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1oo5 s VAL 83 CO 0.02 -0.06 0.73 -0.36 0.00 0.00 0.00 175.10 175.43 1oo5 s PHE 84 N 1.68 3.38 0.04 5.22 0.40 0.13 -2.58 117.98 126.25 1oo5 s PHE 84 Ca 0.05 1.08 0.07 0.00 -0.60 0.00 0.00 56.93 57.53 1oo5 s PHE 84 Cb -0.18 -2.91 -0.02 0.00 0.51 0.00 0.00 43.02 40.42 1oo5 s PHE 84 CO 0.09 -0.23 -0.19 0.00 0.70 0.00 0.00 175.22 175.59 1oo5 s ALA 86 N -0.77 3.04 0.54 0.00 0.00 -0.77 -0.28 121.76 123.53 1oo5 s ALA 86 Ca 0.06 -1.67 -0.19 0.00 0.00 0.00 0.00 51.96 50.17 1oo5 s ALA 86 Cb -0.08 -0.66 -0.06 0.00 0.00 0.00 0.00 23.12 22.32 1oo5 s ALA 86 CO 0.01 0.30 1.08 0.15 0.00 0.00 0.00 175.76 177.31 1oo5 s LYS 87 N -3.50 3.44 0.21 0.00 1.02 -0.64 -2.04 119.74 118.23 1oo5 s LYS 87 Ca 0.30 1.43 0.23 0.00 0.02 0.00 0.00 55.97 57.95 1oo5 s LYS 87 Cb -0.07 -2.03 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 1oo5 s LYS 87 CO 0.18 -0.74 1.07 1.79 -0.92 0.00 0.00 175.35 176.73 1oo5 h THR 88 N 1.07 0.00 -2.07 2.17 1.35 -0.58 -3.45 112.91 111.39 1oo5 h THR 88 Ca -0.49 -0.98 0.03 0.00 -0.55 0.00 0.00 66.41 64.42 1oo5 h THR 88 Cb 1.24 1.49 -0.21 0.00 -1.73 0.00 0.00 68.15 68.94 1oo5 h THR 88 CO 0.57 0.00 -0.08 0.00 -0.25 0.00 0.00 175.52 175.77 1oo5 s ALA 89 N -3.35 -1.84 -0.47 6.62 0.00 -1.26 -4.61 121.76 116.84 1oo5 s ALA 89 Ca -0.00 2.29 -0.29 0.00 0.00 0.00 0.00 51.96 53.96 1oo5 s ALA 89 Cb 0.10 -1.52 0.03 0.00 0.00 0.00 0.00 23.12 21.73 1oo5 s ALA 89 CO 0.78 -0.59 1.18 1.41 0.00 0.00 0.00 175.76 178.54 1oo5 s MET 90 N 2.14 3.71 0.15 0.00 1.75 -1.26 -5.02 119.30 120.75 1oo5 s MET 90 Ca -0.08 0.63 0.07 0.00 -1.25 0.00 0.00 55.69 55.06 1oo5 s MET 90 Cb -0.08 -3.92 -0.04 0.00 2.84 0.00 0.00 34.83 33.62 1oo5 s MET 90 CO -0.19 -1.41 -0.02 0.16 -0.65 0.00 0.00 175.02 172.91 1oo5 s ASP 91 N 2.68 4.72 0.45 1.11 3.84 -1.26 -5.03 116.67 123.18 1oo5 s ASP 91 Ca 0.50 -0.37 0.21 0.00 -0.00 0.00 0.00 52.55 52.90 1oo5 s ASP 91 Cb -0.08 -1.00 1.19 0.00 -1.38 0.00 0.00 42.92 41.65 1oo5 s ASP 91 CO 0.32 0.12 1.87 0.44 -0.00 0.00 0.00 175.17 177.92 1oo5 h ASP 92 N 3.01 0.29 -0.02 2.11 3.32 -1.99 -1.20 116.42 121.93 1oo5 h ASP 92 Ca -0.47 0.03 0.01 0.00 0.02 0.00 0.00 57.03 56.61 1oo5 h ASP 92 Cb 1.19 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1oo5 h ASP 92 CO 0.57 0.11 0.02 -0.37 -1.72 0.00 0.00 179.24 177.86 1oo5 h VAL 93 N 0.29 0.63 0.05 -1.35 -1.51 -1.99 -0.89 116.25 111.48 1oo5 h VAL 93 Ca 0.45 0.00 -0.30 0.00 -1.23 0.00 0.00 66.70 65.62 1oo5 h VAL 93 Cb 1.28 0.98 -0.03 0.00 -2.13 0.00 0.00 31.29 31.39 1oo5 h VAL 93 CO -0.13 0.00 -1.65 -0.25 -1.23 0.00 0.00 177.57 174.31 1oo5 h TRP 94 N 0.00 0.20 0.00 5.19 7.01 -1.64 -2.97 115.95 123.74 1oo5 h TRP 94 Ca 0.01 -0.14 -0.04 0.00 2.11 0.00 0.00 58.89 60.82 1oo5 h TRP 94 Cb 0.06 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 1oo5 h TRP 94 CO 0.00 1.24 -0.21 -0.07 -2.79 0.00 0.00 178.44 176.61 1oo5 h LEU 95 N 0.03 0.00 -0.24 0.65 3.38 -1.23 -0.62 115.31 117.28 1oo5 h LEU 95 Ca -0.27 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.51 1oo5 h LEU 95 Cb 1.99 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.72 1oo5 h LEU 95 CO 0.11 0.21 -0.89 0.50 0.09 0.00 0.00 178.44 178.46 1oo5 h LYS 96 N 0.00 0.03 -0.35 1.13 3.64 -1.24 -2.77 116.57 117.01 1oo5 h LYS 96 Ca -0.00 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1oo5 h LYS 96 Cb 0.44 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1oo5 h LYS 96 CO 0.03 0.89 -0.16 1.25 -2.27 0.00 0.00 179.45 179.19 1oo5 h LEU 97 N 0.01 0.74 0.52 5.20 7.12 -0.98 -2.37 115.31 125.57 1oo5 h LEU 97 Ca -0.02 -0.40 -0.03 0.00 0.13 0.00 0.00 57.88 57.57 1oo5 h LEU 97 Cb 1.56 -0.21 0.01 0.00 -0.53 0.00 0.00 40.66 41.49 1oo5 h LEU 97 CO 0.12 0.98 -0.25 0.58 -0.13 0.00 0.00 178.44 179.74 1oo5 h VAL 98 N 0.51 0.43 -0.36 1.05 2.07 -1.32 -2.74 116.25 115.89 1oo5 h VAL 98 Ca 0.08 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1oo5 h VAL 98 Cb 0.70 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1oo5 h VAL 98 CO 0.05 0.04 0.24 -0.37 0.02 0.00 0.00 177.57 177.55 1oo5 h VAL 99 N -0.88 0.97 -0.13 2.57 -1.51 -1.55 -1.59 116.25 114.13 1oo5 h VAL 99 Ca -0.07 -0.10 -0.14 0.00 -1.23 0.00 0.00 66.70 65.16 1oo5 h VAL 99 Cb 0.61 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 1oo5 h VAL 99 CO 0.12 0.05 -0.53 0.44 -1.23 0.00 0.00 177.57 176.42 1oo5 h ASP 100 N 0.28 0.41 1.75 4.19 3.32 -1.38 -1.21 116.42 123.78 1oo5 h ASP 100 Ca 0.15 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1oo5 h ASP 100 Cb 0.26 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1oo5 h ASP 100 CO -0.03 0.86 -0.24 -0.61 -1.72 0.00 0.00 179.24 177.50 1oo5 h GLN 101 N 0.29 0.00 0.19 3.56 5.75 -1.02 -1.05 115.11 122.83 1oo5 h GLN 101 Ca 0.01 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.19 1oo5 h GLN 101 Cb 1.03 0.00 0.03 0.00 1.07 0.00 0.00 27.48 29.62 1oo5 h GLN 101 CO 0.09 0.24 -1.35 0.93 -2.65 0.00 0.00 178.83 176.09 1oo5 h GLU 102 N 0.00 0.59 -0.38 1.69 5.08 -1.16 -1.41 114.58 118.99 1oo5 h GLU 102 Ca -0.00 -0.88 -0.07 0.00 -1.00 0.00 0.00 59.36 57.40 1oo5 h GLU 102 Cb 1.18 0.31 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 1oo5 h GLU 102 CO 0.03 1.41 -0.04 0.22 -1.00 0.00 0.00 179.01 179.63 1oo5 h ASP 103 N 0.20 0.70 0.30 1.42 1.82 -1.19 -2.63 116.42 117.04 1oo5 h ASP 103 Ca -0.22 -0.34 -0.09 0.00 -0.39 0.00 0.00 57.03 55.99 1oo5 h ASP 103 Cb 2.04 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 41.84 1oo5 h ASP 103 CO 0.26 0.87 -0.39 0.00 -1.61 0.00 0.00 179.24 178.36 1oo5 h ALA 104 N 0.86 1.23 0.00 -0.78 0.00 -1.23 -2.51 119.26 116.82 1oo5 h ALA 104 Ca 0.10 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1oo5 h ALA 104 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1oo5 h ALA 104 CO 0.03 0.54 0.00 -0.25 0.00 0.00 0.00 179.25 179.57 1oo5 n ASP 105 N -4.05 0.00 -0.95 0.00 10.43 -0.53 -4.93 116.55 116.52 1oo5 n ASP 105 Ca -0.02 -0.21 -0.01 0.00 2.57 0.00 0.00 54.79 57.13 1oo5 n ASP 105 Cb 0.45 -0.26 0.00 0.00 1.84 0.00 0.00 41.12 43.15 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 1.18 0.56 0.08 0.44 0.00 -0.95 -5.00 105.19 101.51 1oo5 n GLY 106 Ca 0.15 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.99 0.68 -3.25 1.61 1.74 -1.00 -4.89 116.66 110.55 1oo5 n ARG 107 Ca -0.01 -0.03 -0.40 0.00 -0.77 0.00 0.00 57.85 56.64 1oo5 n ARG 107 Cb 0.51 -1.54 -0.08 0.00 -1.02 0.00 0.00 32.46 30.33 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 -2.70 3.26 0.04 -1.55 0.08 -1.26 -4.94 117.98 110.91 1oo5 s PHE 108 Ca -0.09 0.58 -0.01 0.00 0.12 0.00 0.00 56.93 57.53 1oo5 s PHE 108 Cb 0.08 -2.72 -0.27 0.00 -0.57 0.00 0.00 43.02 39.54 1oo5 s PHE 108 CO 0.84 -0.29 1.00 0.00 -0.10 0.00 0.00 175.22 176.67 1oo5 h ALA 109 N 8.07 0.26 -4.08 5.36 0.00 -1.96 -3.46 119.26 123.44 1oo5 h ALA 109 Ca -0.29 -1.03 -0.43 0.00 0.00 0.00 0.00 54.91 53.16 1oo5 h ALA 109 Cb 1.14 0.14 -0.29 0.00 0.00 0.00 0.00 17.79 18.78 1oo5 h ALA 109 CO 0.71 1.13 -0.79 -0.08 0.00 0.00 0.00 179.25 180.22 1oo5 s THR 110 N -2.64 0.89 0.47 0.00 -1.32 -1.26 -5.02 115.64 106.75 1oo5 s THR 110 Ca -0.05 -0.47 0.26 0.00 -1.21 0.00 0.00 61.69 60.21 1oo5 s THR 110 Cb 0.07 -0.74 0.26 0.00 -1.51 0.00 0.00 72.50 70.58 1oo5 s THR 110 CO 0.86 0.25 1.78 -0.65 -2.21 0.00 0.00 174.62 174.65 1oo5 h PRO 111 N 5.91 0.00 -0.11 7.08 0.11 -2.01 0.40 132.00 143.38 1oo5 h PRO 111 Ca -0.32 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.55 1oo5 h PRO 111 Cb 1.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1oo5 h PRO 111 CO 0.49 0.00 -0.85 0.93 -0.21 0.00 0.00 178.00 178.37 1oo5 h GLU 112 N 0.00 0.77 -0.08 1.05 5.08 -1.98 -2.94 114.58 116.47 1oo5 h GLU 112 Ca 0.00 -0.68 -0.06 0.00 -1.00 0.00 0.00 59.36 57.62 1oo5 h GLU 112 Cb 0.59 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1oo5 h GLU 112 CO 0.00 1.28 -0.24 0.00 -1.00 0.00 0.00 179.01 179.05 1oo5 h ALA 113 N 0.51 1.45 -0.21 3.43 0.00 -0.62 -0.01 119.26 123.80 1oo5 h ALA 113 Ca -0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1oo5 h ALA 113 Cb 1.48 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1oo5 h ALA 113 CO 0.17 0.39 -0.31 -0.22 0.00 0.00 0.00 179.25 179.28 1oo5 h LYS 114 N 0.13 0.58 0.00 0.00 3.64 -1.51 -2.45 116.57 116.96 1oo5 h LYS 114 Ca 0.02 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 1oo5 h LYS 114 Cb 0.50 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1oo5 h LYS 114 CO 0.03 0.95 0.00 0.00 -2.27 0.00 0.00 179.45 178.17 1oo5 h ALA 115 N 0.62 1.00 0.00 5.00 0.00 -1.29 -1.82 119.26 122.77 1oo5 h ALA 115 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1oo5 h ALA 115 Cb 0.90 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1oo5 h ALA 115 CO 0.07 0.00 -0.80 0.00 0.00 0.00 0.00 179.25 178.52 1oo5 h ALA 116 N 2.23 0.53 0.14 0.00 0.00 -0.55 -3.05 119.26 118.56 1oo5 h ALA 116 Ca 0.00 -0.71 -0.34 0.00 0.00 0.00 0.00 54.91 53.86 1oo5 h ALA 116 Cb 0.42 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1oo5 h ALA 116 CO 0.00 0.96 -1.76 -0.97 0.00 0.00 0.00 179.25 177.47 1oo5 h ASN 117 N 0.00 0.47 -0.98 0.00 -0.00 -1.05 -2.91 115.58 111.11 1oo5 h ASN 117 Ca -0.02 -0.91 0.16 0.00 -0.00 0.00 0.00 56.30 55.53 1oo5 h ASN 117 Cb 1.59 -0.15 -0.09 0.00 -0.00 0.00 0.00 38.32 39.67 1oo5 h ASN 117 CO 0.09 1.77 0.61 -0.78 -0.00 0.00 0.00 177.43 179.13 1oo5 h ASP 118 N -0.03 0.78 -0.15 1.15 1.82 -1.45 0.73 116.42 119.27 1oo5 h ASP 118 Ca -0.37 0.07 -0.22 0.00 -0.39 0.00 0.00 57.03 56.12 1oo5 h ASP 118 Cb 1.98 -0.08 0.01 0.00 0.68 0.00 0.00 39.33 41.92 1oo5 h ASP 118 CO 0.11 0.35 -0.75 0.50 -1.61 0.00 0.00 179.24 177.83 1oo5 h LYS 119 N 0.80 0.78 -0.19 0.28 3.64 -1.64 -0.74 116.57 119.50 1oo5 h LYS 119 Ca 0.52 -0.64 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1oo5 h LYS 119 Cb 0.76 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1oo5 h LYS 119 CO -0.30 1.24 0.07 0.78 -2.27 0.00 0.00 179.45 178.98 1oo5 h GLY 120 N 0.52 0.31 0.94 5.01 0.00 -0.62 -0.03 103.07 109.19 1oo5 h GLY 120 Ca -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1oo5 h GLY 120 CO 0.16 0.16 0.15 -0.09 0.00 0.00 0.00 176.54 176.92 1oo5 h ARG 121 N 0.15 0.60 -0.12 4.80 2.43 0.32 -2.50 114.38 120.06 1oo5 h ARG 121 Ca 0.06 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1oo5 h ARG 121 Cb 0.20 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1oo5 h ARG 121 CO -0.00 0.57 0.07 0.87 -1.51 0.00 0.00 179.97 179.97 1oo5 h LYS 122 N 0.49 0.16 -0.81 0.20 1.57 -1.01 -1.54 116.57 115.63 1oo5 h LYS 122 Ca 0.13 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1oo5 h LYS 122 Cb 0.20 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1oo5 h LYS 122 CO -0.01 0.16 0.53 0.35 -0.57 0.00 0.00 179.45 179.91 1oo5 h PHE 123 N 0.11 0.90 -0.18 -1.35 3.57 -0.91 0.62 116.94 119.71 1oo5 h PHE 123 Ca 0.04 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 1oo5 h PHE 123 Cb 0.04 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.48 1oo5 h PHE 123 CO -0.05 0.48 -0.27 0.74 -2.23 0.00 0.00 178.31 176.99 1oo5 h PHE 124 N 0.90 0.61 -0.40 0.41 0.04 -1.24 -3.01 116.94 114.26 1oo5 h PHE 124 Ca 0.34 -0.21 -0.15 0.00 2.80 0.00 0.00 57.97 60.76 1oo5 h PHE 124 Cb 0.20 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.22 1oo5 h PHE 124 CO -0.00 0.91 -0.34 0.00 -0.60 0.00 0.00 178.31 178.28 1oo5 h ALA 125 N 0.60 0.65 -0.77 2.45 0.00 -0.66 -3.23 119.26 118.29 1oo5 h ALA 125 Ca 0.02 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.51 1oo5 h ALA 125 Cb 0.84 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1oo5 h ALA 125 CO 0.06 0.67 0.50 -0.44 0.00 0.00 0.00 179.25 180.05 1oo5 h ASP 126 N 0.76 0.85 0.11 0.00 3.45 0.19 -1.74 116.42 120.04 1oo5 h ASP 126 Ca 0.07 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1oo5 h ASP 126 Cb 0.92 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 1oo5 h ASP 126 CO 0.08 0.60 0.00 1.15 -1.57 0.00 0.00 179.24 179.51 1oo5 n MET 127 N -4.58 0.63 -0.09 3.56 0.00 -1.14 -1.80 117.12 113.70 1oo5 n MET 127 Ca 0.08 0.02 -0.17 0.00 0.00 0.00 0.00 57.70 57.63 1oo5 n MET 127 Cb 0.05 -1.50 -0.07 0.00 0.00 0.00 0.00 33.22 31.69 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 -1.08 0.00 1.02 3.17 8.25 -0.80 -3.33 115.22 122.46 1oo5 n HIS 128 Ca 0.16 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.74 1oo5 n HIS 128 Cb 0.11 -0.69 0.36 0.00 1.12 0.00 0.00 29.99 30.89 1oo5 n HIS 128 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1oo5 n ARG 129 N -3.51 0.05 0.00 -0.41 1.85 -0.72 -1.24 116.66 112.68 1oo5 n ARG 129 Ca -0.35 -0.02 -0.01 0.00 -1.00 0.00 0.00 57.85 56.46 1oo5 n ARG 129 Cb 0.80 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 30.71 1oo5 n ARG 129 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1oo5 n LYS 130 N -1.45 0.07 0.47 2.89 5.02 -0.74 -4.51 118.16 119.90 1oo5 n LYS 130 Ca 0.06 0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 56.20 1oo5 n LYS 130 Cb 0.33 -0.43 -0.09 0.00 -0.02 0.00 0.00 35.03 34.82 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 -0.13 -1.03 1.27 4.39 5.19 -1.72 -3.33 116.42 121.07 1oo5 h ASP 131 Ca 0.00 0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.38 1oo5 h ASP 131 Cb 0.13 0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 1oo5 h ASP 131 CO 0.00 -0.70 -0.76 -0.07 -3.12 0.00 0.00 179.24 174.59 1oo5 h LEU 132 N -1.27 0.00 -1.41 1.55 3.38 -1.70 -3.49 115.31 112.36 1oo5 h LEU 132 Ca -0.12 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.46 1oo5 h LEU 132 Cb 0.93 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.78 1oo5 h LEU 132 CO 0.20 0.24 -0.76 1.41 0.09 0.00 0.00 178.44 179.62 1oo5 n HIS 133 N -2.94 -2.29 -1.92 1.13 8.25 -0.62 -4.93 115.22 111.90 1oo5 n HIS 133 Ca -0.01 0.93 0.04 0.00 -0.26 0.00 0.00 57.72 58.41 1oo5 n HIS 133 Cb 0.65 -4.74 0.05 0.00 1.12 0.00 0.00 29.99 27.07 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 -3.05 0.89 0.27 0.41 5.75 -0.37 -4.86 116.55 115.58 1oo5 n ASP 134 Ca -0.18 -2.41 0.18 0.00 -0.01 0.00 0.00 54.79 52.37 1oo5 n ASP 134 Cb 0.63 -0.31 0.92 0.00 -1.03 0.00 0.00 41.12 41.33 1oo5 n ASP 134 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 1oo5 h ASP 135 N 0.38 0.00 -0.10 -1.12 2.03 -1.88 -2.13 116.42 113.60 1oo5 h ASP 135 Ca -0.06 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 56.05 1oo5 h ASP 135 Cb 1.42 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.92 1oo5 h ASP 135 CO 0.03 0.00 -0.62 0.00 -1.03 0.00 0.00 179.24 177.62 1oo5 h ALA 136 N 2.02 0.52 0.00 4.15 0.00 -1.89 -1.84 119.26 122.23 1oo5 h ALA 136 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1oo5 h ALA 136 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1oo5 h ALA 136 CO 0.00 0.69 -0.65 0.93 0.00 0.00 0.00 179.25 180.23 1oo5 h GLU 137 N 0.52 0.00 0.05 0.00 4.39 -1.82 -2.75 114.58 114.97 1oo5 h GLU 137 Ca -0.01 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 1oo5 h GLU 137 Cb 1.21 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.88 1oo5 h GLU 137 CO 0.12 0.00 -0.84 2.35 -1.16 0.00 0.00 179.01 179.48 1oo5 h TRP 138 N 0.00 0.75 -0.16 4.33 7.01 -1.33 -1.03 115.95 125.52 1oo5 h TRP 138 Ca 0.00 -0.44 -0.14 0.00 2.11 0.00 0.00 58.89 60.41 1oo5 h TRP 138 Cb 0.84 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.82 1oo5 h TRP 138 CO 0.00 1.29 -0.51 0.52 -2.79 0.00 0.00 178.44 176.95 1oo5 h MET 139 N 0.00 0.45 -0.22 2.65 2.86 -1.42 -2.78 114.93 116.47 1oo5 h MET 139 Ca -0.12 -0.27 -0.08 0.00 -2.06 0.00 0.00 59.70 57.17 1oo5 h MET 139 Cb 1.56 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.23 1oo5 h MET 139 CO 0.16 0.86 -0.23 0.00 1.06 0.00 0.00 176.91 178.76 1oo5 h ALA 140 N 1.09 1.20 -0.09 6.32 0.00 -1.46 -2.20 119.26 124.13 1oo5 h ALA 140 Ca 0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 1oo5 h ALA 140 Cb 1.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1oo5 h ALA 140 CO 0.09 0.51 -0.34 0.87 0.00 0.00 0.00 179.25 180.39 1oo5 h LYS 141 N 0.36 0.17 -0.11 0.00 1.57 -0.92 -2.52 116.57 115.12 1oo5 h LYS 141 Ca 0.06 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1oo5 h LYS 141 Cb 0.61 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1oo5 h LYS 141 CO 0.04 0.49 -0.51 1.96 -0.57 0.00 0.00 179.45 180.87 1oo5 h GLN 142 N 0.15 0.31 -0.29 3.15 1.08 -1.19 -2.53 115.11 115.78 1oo5 h GLN 142 Ca 0.02 -0.18 -0.13 0.00 -1.45 0.00 0.00 58.65 56.91 1oo5 h GLN 142 Cb 0.67 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 1oo5 h GLN 142 CO 0.05 0.75 -0.34 0.28 -0.95 0.00 0.00 178.83 178.62 1oo5 h VAL 143 N 0.25 1.29 -0.24 -0.54 2.07 -1.13 -2.14 116.25 115.80 1oo5 h VAL 143 Ca 0.01 -1.48 -0.12 0.00 0.82 0.00 0.00 66.70 65.93 1oo5 h VAL 143 Cb 0.98 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1oo5 h VAL 143 CO 0.08 0.48 -0.36 1.88 0.02 0.00 0.00 177.57 179.67 1oo5 h TYR 144 N 0.54 0.63 -0.87 1.57 -1.99 -1.32 -0.95 116.97 114.58 1oo5 h TYR 144 Ca 0.06 -0.17 -0.01 0.00 2.00 0.00 0.00 58.73 60.61 1oo5 h TYR 144 Cb 0.85 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 39.39 1oo5 h TYR 144 CO 0.04 0.82 0.49 1.25 -0.00 0.00 0.00 178.16 180.77 1oo5 h LEU 145 N 0.45 1.07 -0.89 3.88 6.46 -1.17 -0.80 115.31 124.32 1oo5 h LEU 145 Ca 0.05 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.68 1oo5 h LEU 145 Cb 0.84 -0.27 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 1oo5 h LEU 145 CO 0.07 0.85 0.29 -1.13 -0.62 0.00 0.00 178.44 177.90 1oo5 h ASN 146 N 1.21 1.02 -0.50 1.25 -0.00 -0.70 -2.19 115.58 115.65 1oo5 h ASN 146 Ca 0.31 -0.15 -0.03 0.00 -0.00 0.00 0.00 56.30 56.43 1oo5 h ASN 146 Cb 0.00 -0.26 -0.02 0.00 -0.00 0.00 0.00 38.32 38.04 1oo5 h ASN 146 CO -0.05 0.91 0.20 0.58 -0.00 0.00 0.00 177.43 179.07 1oo5 h VAL 147 N 1.08 1.21 -0.57 2.57 2.07 0.07 0.38 116.25 123.07 1oo5 h VAL 147 Ca 0.25 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1oo5 h VAL 147 Cb 0.21 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1oo5 h VAL 147 CO -0.02 0.25 0.36 1.23 0.02 0.00 0.00 177.57 179.40 1oo5 h GLY 148 N 0.68 0.80 1.00 2.17 0.00 -0.86 0.30 103.07 107.15 1oo5 h GLY 148 Ca 0.17 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1oo5 h GLY 148 CO -0.01 0.25 0.28 -0.57 0.00 0.00 0.00 176.54 176.48 1oo5 h ASN 149 N 0.71 0.82 -0.10 0.19 -1.24 -1.15 -2.87 115.58 111.94 1oo5 h ASN 149 Ca 0.22 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 1oo5 h ASN 149 Cb -0.02 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 38.81 1oo5 h ASN 149 CO -0.08 0.74 0.04 0.15 -1.29 0.00 0.00 177.43 176.99 1oo5 h PHE 150 N 0.85 0.16 -0.59 0.67 3.57 0.16 -1.19 116.94 120.57 1oo5 h PHE 150 Ca 0.21 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.78 1oo5 h PHE 150 Cb 0.15 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.77 1oo5 h PHE 150 CO 0.00 0.28 0.23 -0.07 -2.23 0.00 0.00 178.31 176.52 1oo5 h LEU 151 N -0.01 0.25 -0.29 0.59 3.38 -0.36 0.04 115.31 118.91 1oo5 h LEU 151 Ca 0.03 0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 1oo5 h LEU 151 Cb 0.19 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1oo5 h LEU 151 CO -0.00 0.15 -0.64 0.25 0.09 0.00 0.00 178.44 178.29 1oo5 h LEU 152 N 0.42 0.89 0.23 1.67 5.85 -1.49 -2.93 115.31 119.95 1oo5 h LEU 152 Ca 0.29 -0.52 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1oo5 h LEU 152 Cb 0.34 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1oo5 h LEU 152 CO -0.28 1.31 -0.11 1.23 -0.34 0.00 0.00 178.44 180.24 1oo5 h GLY 153 N 0.73 -0.32 1.99 3.75 0.00 -0.46 -0.34 103.07 108.41 1oo5 h GLY 153 Ca -0.01 0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 1oo5 h GLY 153 CO 0.13 -0.12 -0.25 -0.39 0.00 0.00 0.00 176.54 175.92 1oo5 h VAL 154 N -0.33 1.19 -0.37 4.60 -1.51 -1.11 -1.04 116.25 117.66 1oo5 h VAL 154 Ca -0.03 -0.88 -0.12 0.00 -1.23 0.00 0.00 66.70 64.44 1oo5 h VAL 154 Cb 0.26 1.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 1oo5 h VAL 154 CO 0.05 0.25 -0.23 0.00 -1.23 0.00 0.00 177.57 176.41 1oo5 h ALA 155 N 1.73 0.88 0.00 5.19 0.00 -1.28 -0.70 119.26 125.09 1oo5 h ALA 155 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1oo5 h ALA 155 Cb 0.45 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1oo5 h ALA 155 CO 0.03 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.85 1oo5 h ALA 156 N 1.08 1.07 -0.00 0.00 0.00 0.25 -0.10 119.26 121.55 1oo5 h ALA 156 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1oo5 h ALA 156 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1oo5 h ALA 156 CO 0.06 0.08 -0.09 1.28 0.00 0.00 0.00 179.25 180.57 1oo5 n LEU 157 N -3.26 0.57 0.00 0.00 4.77 -0.80 -4.89 117.00 113.39 1oo5 n LEU 157 Ca -0.01 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1oo5 n LEU 157 Cb 0.26 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1oo5 n LEU 157 CO 0.27 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1oo5 n GLY 158 N 1.24 0.53 3.78 -0.72 0.00 -0.05 -5.06 105.19 104.91 1oo5 n GLY 158 Ca 0.16 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 3.81 0.27 0.99 1.02 -0.33 -5.02 118.68 119.41 1oo5 s LEU 159 Ca 0.00 -0.03 -0.02 0.00 0.02 0.00 0.00 54.13 54.10 1oo5 s LEU 159 Cb 0.00 -2.47 -0.04 0.00 0.02 0.00 0.00 46.19 43.69 1oo5 s LEU 159 CO 0.00 0.15 0.50 -1.81 0.02 0.00 0.00 176.35 175.21 1oo5 s ASP 160 N -2.53 6.40 -0.18 2.29 -0.00 -0.24 -3.92 116.67 118.49 1oo5 s ASP 160 Ca 0.30 0.56 -0.30 0.00 -0.00 0.00 0.00 52.55 53.10 1oo5 s ASP 160 Cb -0.12 -2.08 0.14 0.00 -0.00 0.00 0.00 42.92 40.87 1oo5 s ASP 160 CO 0.22 -0.16 1.09 0.00 -0.00 0.00 0.00 175.17 176.32 1oo5 s ALA 161 N -2.06 -1.98 -0.05 5.23 0.00 -1.26 -1.91 121.76 119.74 1oo5 s ALA 161 Ca 0.41 1.63 -0.00 0.00 0.00 0.00 0.00 51.96 54.01 1oo5 s ALA 161 Cb -0.11 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.23 1oo5 s ALA 161 CO 0.31 -0.33 -0.01 0.54 0.00 0.00 0.00 175.76 176.27 1oo5 s VAL 162 N -1.28 0.34 -0.10 0.00 0.11 -1.14 -3.46 120.40 114.87 1oo5 s VAL 162 Ca 0.02 0.04 -0.28 0.00 -2.93 0.00 0.00 61.98 58.83 1oo5 s VAL 162 Cb -0.01 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1oo5 s VAL 162 CO -0.02 0.21 0.92 -2.16 -3.33 0.00 0.00 175.10 170.72 1oo5 s PRO 163 N 1.32 4.42 -0.16 1.54 0.04 -1.26 -3.58 135.00 137.32 1oo5 s PRO 163 Ca -0.05 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.20 1oo5 s PRO 163 Cb -0.13 -3.52 -0.02 0.00 0.04 0.00 0.00 34.50 30.86 1oo5 s PRO 163 CO -0.02 -0.23 -0.07 0.42 0.04 0.00 0.00 177.00 177.14 1oo5 s ILE 164 N 1.72 3.47 -0.40 0.56 1.01 0.26 -4.93 121.20 122.90 1oo5 s ILE 164 Ca 0.45 -0.50 0.06 0.00 0.00 0.00 0.00 60.65 60.67 1oo5 s ILE 164 Cb -0.18 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.73 1oo5 s ILE 164 CO 0.18 0.49 0.34 -0.62 0.00 0.00 0.00 174.94 175.34 1oo5 n GLU 165 N 3.77 4.10 -2.83 2.79 1.02 -1.26 -1.33 120.64 126.89 1oo5 n GLU 165 Ca -0.18 -0.15 -0.44 0.00 -0.02 0.00 0.00 57.16 56.37 1oo5 n GLU 165 Cb 0.52 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 31.09 1oo5 n GLU 165 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1oo5 n GLY 166 N 1.03 4.05 3.57 0.62 0.00 -1.26 -4.91 105.19 108.28 1oo5 n GLY 166 Ca 0.02 -2.17 -0.09 0.00 0.00 0.00 0.00 46.02 43.77 1oo5 n GLY 166 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1oo5 s PHE 167 N 0.44 0.43 -0.51 1.61 -0.12 -1.26 -4.78 117.98 113.78 1oo5 s PHE 167 Ca 0.39 -0.78 -0.17 0.00 -0.05 0.00 0.00 56.93 56.32 1oo5 s PHE 167 Cb 0.00 0.15 0.08 0.00 -0.63 0.00 0.00 43.02 42.62 1oo5 s PHE 167 CO 0.00 -0.99 0.52 0.34 -0.05 0.00 0.00 175.22 175.05 1oo5 s ASP 168 N -3.03 6.18 0.43 1.98 -1.08 0.76 -4.94 116.67 116.97 1oo5 s ASP 168 Ca 0.24 -1.29 0.19 0.00 -0.52 0.00 0.00 52.55 51.17 1oo5 s ASP 168 Cb -0.00 -2.24 1.14 0.00 -1.46 0.00 0.00 42.92 40.36 1oo5 s ASP 168 CO 0.10 -0.82 1.86 0.00 0.52 0.00 0.00 175.17 176.83 1oo5 h ALA 169 N 8.91 2.28 -0.22 3.66 0.00 -1.89 -1.49 119.26 130.52 1oo5 h ALA 169 Ca -0.29 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1oo5 h ALA 169 Cb 1.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1oo5 h ALA 169 CO 0.96 -0.57 -0.18 0.00 0.00 0.00 0.00 179.25 179.46 1oo5 h ALA 170 N 1.61 0.32 -0.19 0.00 0.00 -1.95 -0.92 119.26 118.12 1oo5 h ALA 170 Ca 0.46 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1oo5 h ALA 170 Cb 1.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1oo5 h ALA 170 CO -0.16 0.24 0.07 0.82 0.00 0.00 0.00 179.25 180.23 1oo5 h ILE 171 N 0.21 1.17 -0.28 0.00 2.04 -1.70 0.20 117.51 119.16 1oo5 h ILE 171 Ca 0.04 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1oo5 h ILE 171 Cb 0.72 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1oo5 h ILE 171 CO 0.05 0.16 0.17 -0.07 0.00 0.00 0.00 178.15 178.46 1oo5 h LEU 172 N 0.15 0.28 -0.19 1.44 3.38 -1.34 0.38 115.31 119.40 1oo5 h LEU 172 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1oo5 h LEU 172 Cb 0.19 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1oo5 h LEU 172 CO -0.00 0.20 0.12 0.44 0.09 0.00 0.00 178.44 179.29 1oo5 h ASP 173 N 0.34 0.23 0.02 -0.43 5.19 -1.02 -2.37 116.42 118.38 1oo5 h ASP 173 Ca 0.11 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1oo5 h ASP 173 Cb -0.01 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1oo5 h ASP 173 CO -0.04 0.19 -0.01 0.00 -3.12 0.00 0.00 179.24 176.25 1oo5 h ALA 174 N 1.05 -0.03 0.00 3.45 0.00 -0.33 0.37 119.26 123.77 1oo5 h ALA 174 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1oo5 h ALA 174 Cb -0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1oo5 h ALA 174 CO -0.01 -0.42 0.11 1.49 0.00 0.00 0.00 179.25 180.41 1oo5 h GLU 175 N -0.23 0.00 0.00 0.00 4.57 -0.15 -1.30 114.58 117.47 1oo5 h GLU 175 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1oo5 h GLU 175 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1oo5 h GLU 175 CO 0.01 0.00 0.00 1.19 -1.18 0.00 0.00 179.01 179.03 1oo5 n PHE 176 N -2.56 0.00 -3.43 0.92 3.72 -0.90 -5.02 117.46 110.19 1oo5 n PHE 176 Ca -0.02 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.20 1oo5 n PHE 176 Cb 0.15 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.76 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 0.04 -0.67 0.13 1.37 0.00 0.11 -4.96 105.19 101.23 1oo5 n GLY 177 Ca 0.00 0.29 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 1oo5 n GLY 177 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1oo5 h LEU 178 N -1.62 0.60 -0.76 0.99 3.38 -1.27 -3.34 115.31 113.29 1oo5 h LEU 178 Ca -0.61 -0.79 0.08 0.00 0.09 0.00 0.00 57.88 56.66 1oo5 h LEU 178 Cb 1.33 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 1oo5 h LEU 178 CO 0.49 1.65 0.42 0.07 0.09 0.00 0.00 178.44 181.16 1oo5 h LYS 179 N 0.11 0.71 0.00 1.13 2.10 -1.76 0.58 116.57 119.43 1oo5 h LYS 179 Ca -0.28 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.26 1oo5 h LYS 179 Cb 2.09 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 33.25 1oo5 h LYS 179 CO 0.20 0.47 -0.29 1.05 -2.00 0.00 0.00 179.45 178.88 1oo5 h GLU 180 N 0.73 0.00 0.00 0.07 4.11 -1.89 -1.81 114.58 115.79 1oo5 h GLU 180 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.79 1oo5 h GLU 180 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1oo5 h GLU 180 CO -0.23 0.29 -0.34 1.63 0.07 0.00 0.00 179.01 180.43 1oo5 n LYS 181 N -4.05 0.04 -0.36 1.06 5.02 -0.63 -4.94 118.16 114.29 1oo5 n LYS 181 Ca -0.02 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1oo5 n LYS 181 Cb 0.35 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 1.48 1.03 3.44 0.72 0.00 -0.41 -5.02 105.19 106.44 1oo5 n GLY 182 Ca 0.06 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 1.97 -0.10 1.61 1.51 0.06 0.20 117.35 120.59 1oo5 s TYR 183 Ca 0.00 -0.80 -0.09 0.00 -1.01 0.00 0.00 57.07 55.17 1oo5 s TYR 183 Cb 0.00 -1.20 0.03 0.00 -0.11 0.00 0.00 41.96 40.67 1oo5 s TYR 183 CO 0.00 0.18 0.27 0.99 -1.11 0.00 0.00 175.55 175.88 1oo5 s THR 184 N -3.12 -0.00 0.20 -0.71 2.01 -0.87 -3.23 115.64 109.92 1oo5 s THR 184 Ca 0.32 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 1oo5 s THR 184 Cb 0.06 -0.39 -0.08 0.00 0.01 0.00 0.00 72.50 72.10 1oo5 s THR 184 CO 0.13 0.00 0.91 -0.94 -0.69 0.00 0.00 174.62 174.03 1oo5 s SER 185 N 0.20 7.57 -0.05 3.53 1.04 -1.26 -1.84 113.70 122.89 1oo5 s SER 185 Ca -0.00 1.86 -0.03 0.00 0.48 0.00 0.00 55.95 58.25 1oo5 s SER 185 Cb -0.02 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.49 1oo5 s SER 185 CO -0.00 0.13 -0.08 0.18 0.98 0.00 0.00 173.24 174.45 1oo5 n LEU 186 N 1.75 0.54 -4.05 2.42 4.77 -0.13 -4.87 117.00 117.42 1oo5 n LEU 186 Ca -0.02 0.09 -0.19 0.00 -0.03 0.00 0.00 56.01 55.85 1oo5 n LEU 186 Cb 0.48 -0.21 -0.15 0.00 -2.33 0.00 0.00 43.42 41.21 1oo5 n LEU 186 CO 0.49 0.04 -0.44 -0.69 -1.33 0.00 0.00 177.39 175.46 1oo5 s VAL 187 N -2.12 0.83 -0.11 4.08 1.01 -1.20 -4.79 120.40 118.10 1oo5 s VAL 187 Ca -0.08 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 1oo5 s VAL 187 Cb 0.03 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 1oo5 s VAL 187 CO 0.11 0.19 -0.10 -0.69 0.00 0.00 0.00 175.10 174.61 1oo5 s VAL 188 N -0.33 3.37 -0.40 2.92 1.01 -0.45 0.18 120.40 126.70 1oo5 s VAL 188 Ca 0.03 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1oo5 s VAL 188 Cb -0.04 -2.41 0.13 0.00 0.00 0.00 0.00 36.38 34.05 1oo5 s VAL 188 CO -0.00 0.54 0.20 -0.69 0.00 0.00 0.00 175.10 175.15 1oo5 s VAL 189 N -0.03 1.24 0.32 2.92 1.01 0.16 0.90 120.40 126.93 1oo5 s VAL 189 Ca -0.02 -2.25 -0.28 0.00 0.00 0.00 0.00 61.98 59.43 1oo5 s VAL 189 Cb -0.14 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.26 1oo5 s VAL 189 CO 0.03 -0.85 1.12 -2.84 0.00 0.00 0.00 175.10 172.57 1oo5 s PRO 190 N 0.68 4.46 -0.01 2.72 0.02 -1.23 -1.56 135.00 140.08 1oo5 s PRO 190 Ca 0.16 1.80 0.00 0.00 0.02 0.00 0.00 61.00 62.98 1oo5 s PRO 190 Cb -0.23 -3.01 0.01 0.00 0.02 0.00 0.00 34.50 31.29 1oo5 s PRO 190 CO -0.05 0.05 0.00 0.54 -0.33 0.00 0.00 177.00 177.21 1oo5 s VAL 191 N -1.27 0.02 0.00 3.83 0.11 0.17 -2.90 120.40 120.36 1oo5 s VAL 191 Ca 0.49 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 1oo5 s VAL 191 Cb -0.31 -0.06 0.00 0.00 -1.53 0.00 0.00 36.38 34.48 1oo5 s VAL 191 CO 0.40 0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.81 1oo5 n GLY 192 N 3.39 -0.24 2.91 6.54 0.00 -0.80 -1.48 105.19 115.51 1oo5 n GLY 192 Ca -0.17 0.57 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 2.89 0.24 0.56 1.61 3.76 -1.26 -1.08 115.29 122.02 1oo5 s HIS 193 Ca 0.00 -0.04 -0.17 0.00 -0.15 0.00 0.00 55.06 54.70 1oo5 s HIS 193 Cb 0.00 -0.16 -0.05 0.00 1.11 0.00 0.00 32.58 33.49 1oo5 s HIS 193 CO 0.00 -0.00 1.05 -3.38 -0.85 0.00 0.00 174.74 171.56 1oo5 s HIS 194 N -0.06 2.98 0.50 1.40 -3.43 -1.26 -0.42 115.29 115.01 1oo5 s HIS 194 Ca 0.01 1.53 0.09 0.00 -0.80 0.00 0.00 55.06 55.88 1oo5 s HIS 194 Cb -0.01 -3.03 0.04 0.00 -1.43 0.00 0.00 32.58 28.15 1oo5 s HIS 194 CO -0.00 -1.05 0.63 -1.54 -2.00 0.00 0.00 174.74 170.78 1oo5 s SER 195 N -2.56 5.26 0.05 7.38 1.04 -0.60 -4.40 113.70 119.86 1oo5 s SER 195 Ca 0.65 -0.72 0.17 0.00 0.48 0.00 0.00 55.95 56.53 1oo5 s SER 195 Cb -0.16 -0.13 0.73 0.00 0.10 0.00 0.00 66.02 66.56 1oo5 s SER 195 CO 0.32 -1.04 1.55 1.33 0.98 0.00 0.00 173.24 176.38 1oo5 n VAL 196 N -1.99 0.88 1.38 5.02 0.24 -1.26 -2.11 118.33 120.50 1oo5 n VAL 196 Ca 0.10 0.22 0.15 0.00 -2.04 0.00 0.00 64.34 62.76 1oo5 n VAL 196 Cb 0.61 -0.98 0.74 0.00 -1.47 0.00 0.00 33.84 32.74 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 -1.64 0.40 -2.30 7.34 -0.58 -1.26 -4.63 120.64 117.97 1oo5 n GLU 197 Ca 0.04 0.01 -0.34 0.00 -0.42 0.00 0.00 57.16 56.44 1oo5 n GLU 197 Cb 0.20 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 1oo5 n GLU 197 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1oo5 s ASP 198 N -2.59 5.83 0.40 1.62 3.68 -0.90 -4.73 116.67 119.98 1oo5 s ASP 198 Ca 0.27 -1.31 0.28 0.00 2.13 0.00 0.00 52.55 53.92 1oo5 s ASP 198 Cb 0.20 -2.57 1.43 0.00 -1.45 0.00 0.00 42.92 40.52 1oo5 s ASP 198 CO 0.45 -2.15 1.85 2.19 0.13 0.00 0.00 175.17 177.64 1oo5 h PHE 199 N 10.07 0.00 0.00 -5.34 -5.15 -1.90 -1.35 116.94 113.28 1oo5 h PHE 199 Ca 0.19 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.96 1oo5 h PHE 199 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.15 1oo5 h PHE 199 CO 1.27 0.00 -0.44 -1.71 -2.00 0.00 0.00 178.31 175.43 1oo5 n ASN 200 N -2.49 0.54 0.06 -0.68 5.15 -1.26 -3.39 115.26 113.19 1oo5 n ASN 200 Ca -0.01 0.09 -0.07 0.00 -0.60 0.00 0.00 54.58 53.99 1oo5 n ASN 200 Cb 0.10 0.01 0.09 0.00 -0.53 0.00 0.00 39.78 39.45 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 2.75 0.77 0.00 5.20 0.00 -1.58 -3.29 119.26 123.12 1oo5 h ALA 201 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1oo5 h ALA 201 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1oo5 h ALA 201 CO 0.00 0.73 -1.66 0.25 0.00 0.00 0.00 179.25 178.57 1oo5 n THR 202 N -3.88 0.18 -2.19 0.00 -2.24 -1.25 -4.97 114.28 99.93 1oo5 n THR 202 Ca -0.03 -0.49 -0.37 0.00 -2.27 0.00 0.00 64.05 60.89 1oo5 n THR 202 Cb 0.64 -0.07 -0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1oo5 n THR 202 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1oo5 s LEU 203 N -4.70 3.97 0.31 3.22 1.43 -1.22 -5.00 118.68 116.69 1oo5 s LEU 203 Ca -0.05 2.36 -0.28 0.00 -1.03 0.00 0.00 54.13 55.12 1oo5 s LEU 203 Cb 0.13 -4.28 -0.09 0.00 0.03 0.00 0.00 46.19 41.98 1oo5 s LEU 203 CO 0.87 -1.03 1.13 -2.16 0.23 0.00 0.00 176.35 175.39 1oo5 s PRO 204 N -2.78 4.48 0.10 1.29 0.04 -1.26 -4.99 135.00 131.89 1oo5 s PRO 204 Ca 0.65 1.84 -0.31 0.00 0.04 0.00 0.00 61.00 63.23 1oo5 s PRO 204 Cb -0.30 -3.05 -0.07 0.00 0.04 0.00 0.00 34.50 31.12 1oo5 s PRO 204 CO 0.36 0.06 1.35 0.21 0.04 0.00 0.00 177.00 179.01 1oo5 s LYS 205 N -1.70 4.34 -0.12 4.56 2.20 -1.26 -5.02 119.74 122.74 1oo5 s LYS 205 Ca 0.48 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 1oo5 s LYS 205 Cb -0.32 -3.29 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 1oo5 s LYS 205 CO 0.41 -0.41 -0.13 0.45 -0.36 0.00 0.00 175.35 175.31 1oo5 s SER 206 N 1.14 4.00 0.02 1.43 0.15 -1.26 -5.10 113.70 114.08 1oo5 s SER 206 Ca 0.63 -0.32 -0.09 0.00 0.70 0.00 0.00 55.95 56.87 1oo5 s SER 206 Cb -0.35 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 1oo5 s SER 206 CO 0.30 0.18 0.19 -0.13 1.20 0.00 0.00 173.24 174.98 1oo5 s ARG 207 N 0.24 0.62 0.64 5.44 1.81 -1.26 -5.16 118.95 121.28 1oo5 s ARG 207 Ca -0.09 -0.51 -0.16 0.00 -1.72 0.00 0.00 55.73 53.25 1oo5 s ARG 207 Cb -0.15 0.26 -0.01 0.00 -0.45 0.00 0.00 34.95 34.60 1oo5 s ARG 207 CO 0.05 -0.17 1.15 -0.51 -0.68 0.00 0.00 175.30 175.14 1oo5 s LEU 208 N -1.78 3.49 0.60 2.53 1.02 -1.26 -4.99 118.68 118.29 1oo5 s LEU 208 Ca -0.09 2.17 -0.17 0.00 0.02 0.00 0.00 54.13 56.05 1oo5 s LEU 208 Cb -0.04 -4.57 -0.03 0.00 0.02 0.00 0.00 46.19 41.57 1oo5 s LEU 208 CO -0.01 -1.67 1.13 -2.84 0.02 0.00 0.00 176.35 172.98 1oo5 s PRO 209 N -3.77 3.05 0.56 1.29 0.02 -1.26 -4.92 135.00 129.96 1oo5 s PRO 209 Ca 0.71 1.55 0.32 0.00 0.02 0.00 0.00 61.00 63.60 1oo5 s PRO 209 Cb -0.24 -1.97 1.63 0.00 0.02 0.00 0.00 34.50 33.93 1oo5 s PRO 209 CO 0.38 -1.08 2.12 1.96 -0.33 0.00 0.00 177.00 180.05 1oo5 h GLN 210 N 0.64 0.00 0.00 5.54 4.20 -1.95 -2.65 115.11 120.89 1oo5 h GLN 210 Ca -0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 1oo5 h GLN 210 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1oo5 h GLN 210 CO 0.55 0.07 0.00 0.27 -0.67 0.00 0.00 178.83 179.06 1oo5 n ASN 211 N -3.45 0.00 -0.04 1.46 0.23 -1.26 -0.82 115.26 111.38 1oo5 n ASN 211 Ca -0.02 -0.61 -0.08 0.00 -0.53 0.00 0.00 54.58 53.34 1oo5 n ASN 211 Cb 0.22 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.88 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 -0.94 0.45 0.12 1.53 5.41 -1.00 -4.79 119.36 120.14 1oo5 n ILE 212 Ca 0.11 -0.13 0.07 0.00 1.00 0.00 0.00 62.75 63.81 1oo5 n ILE 212 Cb 0.05 -1.40 0.02 0.00 -0.71 0.00 0.00 39.64 37.60 1oo5 n ILE 212 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1oo5 h THR 213 N -0.22 0.27 -4.13 1.39 1.35 -1.55 -3.47 112.91 106.55 1oo5 h THR 213 Ca -0.20 -1.45 -0.69 0.00 -0.55 0.00 0.00 66.41 63.52 1oo5 h THR 213 Cb 1.21 1.89 -0.29 0.00 -1.73 0.00 0.00 68.15 69.22 1oo5 h THR 213 CO -0.10 0.15 -0.86 -0.22 -0.25 0.00 0.00 175.52 174.24 1oo5 s LEU 214 N -5.83 2.21 -0.31 3.87 0.20 -0.00 -5.09 118.68 113.73 1oo5 s LEU 214 Ca 0.01 -0.44 0.02 0.00 0.69 0.00 0.00 54.13 54.42 1oo5 s LEU 214 Cb 0.08 -1.41 0.09 0.00 -0.43 0.00 0.00 46.19 44.52 1oo5 s LEU 214 CO 0.76 0.28 0.03 -0.89 -0.29 0.00 0.00 176.35 176.23 1oo5 s THR 215 N -0.34 1.84 -0.55 3.68 2.01 -1.26 -4.63 115.64 116.39 1oo5 s THR 215 Ca 0.02 -1.88 -0.26 0.00 0.31 0.00 0.00 61.69 59.88 1oo5 s THR 215 Cb -0.12 -2.28 0.04 0.00 0.01 0.00 0.00 72.50 70.14 1oo5 s THR 215 CO 0.02 -0.47 1.03 -1.61 -0.69 0.00 0.00 174.62 172.90 1oo5 s GLU 216 N 1.16 3.42 0.00 4.92 2.02 -1.26 -5.25 118.70 123.70 1oo5 s GLU 216 Ca 0.06 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.01 1oo5 s GLU 216 Cb -0.19 -4.03 0.00 0.00 0.10 0.00 0.00 34.13 30.02 1oo5 s GLU 216 CO -0.11 -1.53 0.01 1.33 0.02 0.00 0.00 175.26 174.98