#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6ald s SER 3 N 0.00 5.89 -0.43 0.26 1.04 -1.26 -4.90 113.70 114.31 6ald s SER 3 Ca 0.00 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.86 6ald s SER 3 Cb 0.00 -2.56 0.13 0.00 0.10 0.00 0.00 66.02 63.70 6ald s SER 3 CO 0.00 -2.01 0.23 -1.00 0.98 0.00 0.00 173.24 171.44 6ald s HIS 4 N 6.96 1.87 0.03 5.02 3.76 -1.26 -5.10 115.29 126.57 6ald s HIS 4 Ca 0.51 -2.34 -0.37 0.00 -0.15 0.00 0.00 55.06 52.70 6ald s HIS 4 Cb -0.07 -1.80 -0.17 0.00 1.11 0.00 0.00 32.58 31.65 6ald s HIS 4 CO 0.07 -0.79 1.40 -0.35 -0.85 0.00 0.00 174.74 174.22 6ald n PRO 5 N 3.63 1.14 0.00 8.40 -0.04 -1.26 -4.89 135.00 141.98 6ald n PRO 5 Ca 0.09 0.41 -0.07 0.00 -0.04 0.00 0.00 63.50 63.89 6ald n PRO 5 Cb 0.35 -2.06 -0.13 0.00 -0.04 0.00 0.00 33.50 31.62 6ald n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 6ald h ALA 6 N 4.94 0.69 -3.41 0.55 0.00 -1.99 -3.47 119.26 116.57 6ald h ALA 6 Ca -0.48 -1.28 -0.38 0.00 0.00 0.00 0.00 54.91 52.77 6ald h ALA 6 Cb 1.33 0.34 -0.22 0.00 0.00 0.00 0.00 17.79 19.25 6ald h ALA 6 CO 0.80 1.44 -0.77 -0.51 0.00 0.00 0.00 179.25 180.21 6ald s LEU 7 N -6.17 2.25 0.52 0.00 1.43 -1.26 -4.94 118.68 110.51 6ald s LEU 7 Ca -0.03 -0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 52.50 6ald s LEU 7 Cb 0.08 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.88 6ald s LEU 7 CO 0.82 -0.09 0.75 0.42 0.23 0.00 0.00 176.35 178.49 6ald s THR 8 N -1.21 3.28 0.29 5.49 -4.23 -1.26 -4.89 115.64 113.11 6ald s THR 8 Ca -0.03 -0.52 -0.02 0.00 -1.18 0.00 0.00 61.69 59.94 6ald s THR 8 Cb -0.10 -3.24 0.27 0.00 1.34 0.00 0.00 72.50 70.77 6ald s THR 8 CO 0.02 -0.18 1.95 -0.65 -0.54 0.00 0.00 174.62 175.22 6ald h PRO 9 N 0.15 1.11 -0.52 3.99 0.11 -2.01 -0.18 132.00 134.65 6ald h PRO 9 Ca -0.44 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 6ald h PRO 9 Cb 1.28 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 6ald h PRO 9 CO 0.55 0.73 0.01 0.93 -0.21 0.00 0.00 178.00 180.02 6ald h GLU 10 N 1.14 0.86 -0.35 1.05 3.07 -1.99 -1.16 114.58 117.20 6ald h GLU 10 Ca 0.34 -0.24 -0.16 0.00 -0.50 0.00 0.00 59.36 58.80 6ald h GLU 10 Cb -0.05 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 6ald h GLU 10 CO -0.09 0.85 -0.41 1.96 -1.40 0.00 0.00 179.01 179.92 6ald h GLN 11 N 0.80 0.87 -0.60 2.33 4.20 -1.71 -2.26 115.11 118.75 6ald h GLN 11 Ca 0.16 -0.47 -0.08 0.00 0.06 0.00 0.00 58.65 58.31 6ald h GLN 11 Cb 0.46 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 6ald h GLN 11 CO 0.02 1.12 0.06 0.87 -0.67 0.00 0.00 178.83 180.22 6ald h LYS 12 N 0.71 1.01 -0.46 1.46 1.57 -0.84 -2.31 116.57 117.72 6ald h LYS 12 Ca 0.05 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 6ald h LYS 12 Cb 1.00 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 6ald h LYS 12 CO 0.10 0.97 0.25 -0.22 -0.57 0.00 0.00 179.45 179.98 6ald h LYS 13 N 0.91 0.64 -0.47 3.15 3.64 -1.12 0.91 116.57 124.23 6ald h LYS 13 Ca 0.18 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 6ald h LYS 13 Cb 0.48 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 6ald h LYS 13 CO 0.02 0.50 0.30 1.49 -2.27 0.00 0.00 179.45 179.49 6ald h GLU 14 N 0.60 0.59 -0.22 1.90 4.81 -1.25 0.10 114.58 121.11 6ald h GLU 14 Ca 0.16 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 6ald h GLU 14 Cb 0.05 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 6ald h GLU 14 CO -0.03 0.39 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.43 6ald h LEU 15 N 0.61 0.51 -0.38 1.64 3.38 -1.19 -2.08 115.31 117.81 6ald h LEU 15 Ca 0.18 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 6ald h LEU 15 Cb -0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 6ald h LEU 15 CO -0.06 0.83 0.19 -1.28 0.09 0.00 0.00 178.44 178.22 6ald h SER 16 N 0.19 0.49 -0.14 -0.43 0.87 -0.69 -0.94 113.55 112.90 6ald h SER 16 Ca 0.05 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.53 6ald h SER 16 Cb 0.66 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 6ald h SER 16 CO 0.04 0.46 -0.09 0.44 -0.53 0.00 0.00 176.83 177.15 6ald h ASP 17 N 0.48 -0.29 -0.44 6.23 3.32 -0.76 -1.26 116.42 123.70 6ald h ASP 17 Ca 0.13 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.26 6ald h ASP 17 Cb 0.09 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 6ald h ASP 17 CO -0.02 -0.12 0.27 0.40 -1.72 0.00 0.00 179.24 178.05 6ald h ILE 18 N -0.09 1.07 -0.52 0.35 2.04 -1.20 -2.03 117.51 117.12 6ald h ILE 18 Ca 0.08 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.79 6ald h ILE 18 Cb 0.21 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 6ald h ILE 18 CO -0.20 0.10 0.29 0.00 0.00 0.00 0.00 178.15 178.34 6ald h ALA 19 N 1.18 0.67 -0.41 1.87 0.00 -0.73 -2.53 119.26 119.32 6ald h ALA 19 Ca 0.17 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 6ald h ALA 19 Cb -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 6ald h ALA 19 CO -0.06 -0.03 -0.14 0.45 0.00 0.00 0.00 179.25 179.46 6ald h HIS 20 N 0.56 0.83 -0.37 0.00 3.86 -1.06 -3.05 115.15 115.93 6ald h HIS 20 Ca 0.22 -0.16 0.03 0.00 -1.16 0.00 0.00 60.37 59.30 6ald h HIS 20 Cb 0.09 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.31 6ald h HIS 20 CO -0.08 0.85 0.18 0.00 0.86 0.00 0.00 177.93 179.73 6ald h ARG 21 N 0.68 0.36 -0.86 2.45 3.08 -1.00 -0.71 114.38 118.37 6ald h ARG 21 Ca 0.11 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.16 6ald h ARG 21 Cb 0.63 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 6ald h ARG 21 CO 0.04 0.24 0.56 0.82 -1.07 0.00 0.00 179.97 180.56 6ald h ILE 22 N 0.37 1.18 -0.46 2.04 2.04 -1.36 -2.98 117.51 118.33 6ald h ILE 22 Ca 0.16 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.63 6ald h ILE 22 Cb 0.08 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.11 6ald h ILE 22 CO -0.12 0.20 0.00 1.33 0.00 0.00 0.00 178.15 179.57 6ald n VAL 23 N -4.52 2.60 -1.42 1.67 0.24 -1.08 -4.20 118.33 111.63 6ald n VAL 23 Ca 0.10 -1.58 -0.37 0.00 -2.04 0.00 0.00 64.34 60.44 6ald n VAL 23 Cb 0.05 -0.27 0.05 0.00 -1.47 0.00 0.00 33.84 32.20 6ald n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 6ald n ALA 24 N 0.21 -1.09 -1.57 2.33 0.00 -0.30 -4.69 120.51 115.41 6ald n ALA 24 Ca 0.26 -0.10 -0.59 0.00 0.00 0.00 0.00 53.44 53.01 6ald n ALA 24 Cb 1.09 -1.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 6ald n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 6ald n PRO 25 N -0.43 0.30 0.00 0.00 -0.02 -1.26 -0.43 135.00 133.15 6ald n PRO 25 Ca 0.11 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 6ald n PRO 25 Cb 0.48 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 6ald n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 6ald n GLY 26 N 2.28 2.93 3.89 -1.23 0.00 -1.26 -5.01 105.19 106.79 6ald n GLY 26 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 6ald n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 6ald s LYS 27 N -0.02 3.61 0.00 1.61 1.02 0.42 -4.43 119.74 121.95 6ald s LYS 27 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 55.90 6ald s LYS 27 Cb 0.00 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 6ald s LYS 27 CO 0.00 0.53 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 6ald n GLY 28 N 0.41 4.40 3.20 -3.33 0.00 0.17 -4.61 105.19 105.42 6ald n GLY 28 Ca -0.05 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.09 6ald n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 6ald s ILE 29 N -1.66 1.59 -0.31 -0.61 1.01 0.88 -0.53 121.20 121.57 6ald s ILE 29 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 6ald s ILE 29 Cb 0.00 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 6ald s ILE 29 CO 0.00 0.45 0.20 -0.22 0.00 0.00 0.00 174.94 175.37 6ald s LEU 30 N -0.31 4.20 -0.72 2.97 2.96 -0.22 -2.39 118.68 125.16 6ald s LEU 30 Ca 0.04 -0.27 -0.21 0.00 -0.22 0.00 0.00 54.13 53.47 6ald s LEU 30 Cb -0.09 -2.10 0.09 0.00 0.50 0.00 0.00 46.19 44.59 6ald s LEU 30 CO 0.00 -0.14 0.97 0.00 -1.32 0.00 0.00 176.35 175.85 6ald s ALA 31 N 1.71 3.23 -0.28 5.97 0.00 0.18 -0.68 121.76 131.90 6ald s ALA 31 Ca 0.06 -2.15 0.10 0.00 0.00 0.00 0.00 51.96 49.97 6ald s ALA 31 Cb -0.17 -3.86 0.51 0.00 0.00 0.00 0.00 23.12 19.61 6ald s ALA 31 CO 0.10 -2.76 1.47 0.00 0.00 0.00 0.00 175.76 174.56 6ald n ALA 32 N 7.18 4.14 0.12 0.00 0.00 -0.02 -4.36 120.51 127.57 6ald n ALA 32 Ca 0.03 -3.01 0.05 0.00 0.00 0.00 0.00 53.44 50.51 6ald n ALA 32 Cb 0.46 -0.75 0.23 0.00 0.00 0.00 0.00 19.45 19.39 6ald n ALA 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 6ald n ASP 33 N -1.04 3.33 -4.66 0.00 5.68 -0.94 -4.01 116.55 114.91 6ald n ASP 33 Ca 0.32 -2.35 -0.56 0.00 -0.50 0.00 0.00 54.79 51.70 6ald n ASP 33 Cb 1.03 -0.49 -0.07 0.00 -1.14 0.00 0.00 41.12 40.45 6ald n ASP 33 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 6ald n GLU 34 N 0.56 1.02 0.00 0.11 4.71 -1.26 -4.59 120.64 121.18 6ald n GLU 34 Ca 0.16 0.37 0.00 0.00 -0.01 0.00 0.00 57.16 57.68 6ald n GLU 34 Cb 0.66 -2.02 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 6ald n GLU 34 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 6ald n SER 35 N 4.11 -0.44 0.32 1.62 3.41 -1.26 -4.44 113.62 116.94 6ald n SER 35 Ca 0.24 -0.34 -0.14 0.00 -0.26 0.00 0.00 58.87 58.36 6ald n SER 35 Cb 0.14 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.02 6ald n SER 35 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 6ald h THR 36 N -0.96 0.00 0.00 6.66 1.35 -1.99 -1.23 112.91 116.75 6ald h THR 36 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 6ald h THR 36 Cb 0.00 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.42 6ald h THR 36 CO 0.00 0.00 -0.11 1.23 -0.25 0.00 0.00 175.52 176.39 6ald h GLY 37 N -0.88 0.00 0.32 5.82 0.00 -1.99 -2.47 103.07 103.86 6ald h GLY 37 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 6ald h GLY 37 CO 0.10 0.00 -0.11 1.76 0.00 0.00 0.00 176.54 178.29 6ald h SER 38 N 0.00 -0.25 0.56 0.19 0.02 -1.87 -3.27 113.55 108.94 6ald h SER 38 Ca -0.00 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 6ald h SER 38 Cb 0.53 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 6ald h SER 38 CO 0.01 0.27 -0.10 -0.29 -1.14 0.00 0.00 176.83 175.58 6ald h ILE 39 N -0.98 0.38 -0.53 3.27 6.09 -1.27 -2.88 117.51 121.59 6ald h ILE 39 Ca -0.03 -0.58 0.01 0.00 -1.37 0.00 0.00 64.86 62.88 6ald h ILE 39 Cb 0.44 1.42 -0.03 0.00 0.47 0.00 0.00 36.82 39.12 6ald h ILE 39 CO 0.05 0.10 0.35 0.00 -3.07 0.00 0.00 178.15 175.58 6ald h ALA 40 N 1.90 0.67 -0.34 0.18 0.00 -1.51 -1.74 119.26 118.42 6ald h ALA 40 Ca -0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 6ald h ALA 40 Cb 0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 6ald h ALA 40 CO 0.01 0.10 -0.11 0.87 0.00 0.00 0.00 179.25 180.13 6ald h LYS 41 N 0.71 0.59 0.83 0.00 1.79 -1.55 -1.62 116.57 117.31 6ald h LYS 41 Ca 0.19 -0.17 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 6ald h LYS 41 Cb -0.08 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 30.52 6ald h LYS 41 CO -0.05 0.69 -0.43 0.00 -1.08 0.00 0.00 179.45 178.58 6ald h ARG 42 N 0.54 -1.11 -0.22 3.15 2.47 -1.39 -1.05 114.38 116.77 6ald h ARG 42 Ca 0.10 0.08 0.06 0.00 -1.26 0.00 0.00 59.98 58.96 6ald h ARG 42 Cb 0.51 0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 29.07 6ald h ARG 42 CO 0.03 -0.74 0.21 -0.07 0.56 0.00 0.00 179.97 179.96 6ald h LEU 43 N -1.15 0.00 -0.13 3.04 3.38 -1.30 -1.99 115.31 117.15 6ald h LEU 43 Ca -0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 6ald h LEU 43 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 6ald h LEU 43 CO 0.17 0.00 -0.12 -0.61 0.09 0.00 0.00 178.44 177.97 6ald h GLN 44 N 0.00 0.32 0.00 1.13 4.15 -0.75 -1.05 115.11 118.91 6ald h GLN 44 Ca 0.10 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.36 6ald h GLN 44 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.21 6ald h GLN 44 CO -0.00 0.70 0.18 0.66 -1.93 0.00 0.00 178.83 178.44 6ald h SER 45 N -0.06 0.00 -0.99 -0.69 4.64 -0.41 -1.78 113.55 114.26 6ald h SER 45 Ca 0.02 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.85 6ald h SER 45 Cb 0.64 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.31 6ald h SER 45 CO 0.03 0.00 -0.88 2.30 -0.87 0.00 0.00 176.83 177.41 6ald n ILE 46 N -2.36 2.11 -3.62 0.95 -5.35 -1.18 -5.00 119.36 104.91 6ald n ILE 46 Ca -0.01 -4.13 -0.22 0.00 -0.27 0.00 0.00 62.75 58.12 6ald n ILE 46 Cb 0.22 -0.61 0.01 0.00 -1.74 0.00 0.00 39.64 37.51 6ald n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 6ald n GLY 47 N -0.54 -0.62 2.77 3.28 0.00 -0.67 -4.53 105.19 104.88 6ald n GLY 47 Ca 0.33 0.27 -0.21 0.00 0.00 0.00 0.00 46.02 46.41 6ald n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 6ald s THR 48 N -3.38 0.24 0.20 2.61 2.01 -0.41 -4.90 115.64 112.01 6ald s THR 48 Ca 0.15 0.16 -0.33 0.00 0.31 0.00 0.00 61.69 61.98 6ald s THR 48 Cb -0.08 -0.39 -0.14 0.00 0.01 0.00 0.00 72.50 71.89 6ald s THR 48 CO 0.55 0.21 1.48 1.21 -0.69 0.00 0.00 174.62 177.38 6ald n GLU 49 N 4.85 2.05 -2.12 4.92 2.13 -1.26 -4.19 120.64 127.02 6ald n GLU 49 Ca -0.12 0.73 -0.42 0.00 0.66 0.00 0.00 57.16 58.01 6ald n GLU 49 Cb 0.50 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.77 6ald n GLU 49 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 6ald n ASN 50 N 2.72 4.37 -4.79 4.31 5.15 -1.26 -4.79 115.26 120.97 6ald n ASN 50 Ca 0.14 -2.89 -0.28 0.00 -0.60 0.00 0.00 54.58 50.96 6ald n ASN 50 Cb 0.30 -1.69 -0.06 0.00 -0.53 0.00 0.00 39.78 37.80 6ald n ASN 50 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 6ald s THR 51 N 3.45 4.54 0.40 -0.44 -4.23 -1.26 -5.00 115.64 113.09 6ald s THR 51 Ca 0.49 -0.93 0.08 0.00 -1.18 0.00 0.00 61.69 60.16 6ald s THR 51 Cb 0.09 -3.26 0.29 0.00 1.34 0.00 0.00 72.50 70.96 6ald s THR 51 CO -0.02 -0.01 2.00 -0.08 -0.54 0.00 0.00 174.62 175.98 6ald h GLU 52 N 2.78 0.58 -0.60 3.99 4.81 -1.99 -1.17 114.58 122.99 6ald h GLU 52 Ca -0.47 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 58.62 6ald h GLU 52 Cb 1.18 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 6ald h GLU 52 CO 0.65 0.38 -0.03 1.49 -0.73 0.00 0.00 179.01 180.77 6ald h GLU 53 N 0.60 1.08 -0.45 1.92 4.57 -1.96 0.04 114.58 120.37 6ald h GLU 53 Ca 0.25 -0.36 -0.08 0.00 -1.18 0.00 0.00 59.36 57.99 6ald h GLU 53 Cb 0.22 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 6ald h GLU 53 CO -0.07 1.06 -0.03 -0.91 -1.18 0.00 0.00 179.01 177.88 6ald h ASN 54 N 0.97 0.81 -0.48 1.04 2.35 -1.60 -0.17 115.58 118.50 6ald h ASN 54 Ca 0.17 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 6ald h ASN 54 Cb 0.60 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 6ald h ASN 54 CO 0.04 0.94 0.22 0.03 -1.65 0.00 0.00 177.43 177.00 6ald h ARG 55 N 0.66 0.69 -0.44 0.81 3.08 -1.12 0.15 114.38 118.21 6ald h ARG 55 Ca 0.12 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 6ald h ARG 55 Cb 0.55 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 6ald h ARG 55 CO 0.03 0.60 0.21 -0.09 -1.07 0.00 0.00 179.97 179.65 6ald h ARG 56 N 0.62 0.60 -0.01 0.04 2.43 -0.75 -0.52 114.38 116.79 6ald h ARG 56 Ca 0.16 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 6ald h ARG 56 Cb 0.14 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 6ald h ARG 56 CO -0.02 0.47 -0.09 0.35 -1.51 0.00 0.00 179.97 179.17 6ald h PHE 57 N 0.61 0.12 -0.99 2.20 3.57 -0.34 -1.56 116.94 120.55 6ald h PHE 57 Ca 0.15 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.63 6ald h PHE 57 Cb 0.07 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 6ald h PHE 57 CO 0.00 0.76 0.65 -0.92 -2.23 0.00 0.00 178.31 176.58 6ald h TYR 58 N -0.55 1.22 -0.12 0.41 3.20 -0.52 0.16 116.97 120.76 6ald h TYR 58 Ca -0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 6ald h TYR 58 Cb 0.78 -0.41 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 6ald h TYR 58 CO 0.16 0.71 -0.08 0.00 -1.64 0.00 0.00 178.16 177.32 6ald h ARG 59 N 1.27 0.27 -0.94 1.82 -0.00 -1.15 -2.83 114.38 112.82 6ald h ARG 59 Ca 0.39 -0.12 0.07 0.00 -0.50 0.00 0.00 59.98 59.82 6ald h ARG 59 Cb -0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 29.97 29.88 6ald h ARG 59 CO -0.12 0.63 0.61 0.37 0.00 0.00 0.00 179.97 181.46 6ald h GLN 60 N -0.10 1.03 -0.81 0.04 4.15 -0.88 -0.65 115.11 117.89 6ald h GLN 60 Ca 0.02 -0.06 0.11 0.00 0.77 0.00 0.00 58.65 59.50 6ald h GLN 60 Cb 0.56 -0.23 -0.08 0.00 0.21 0.00 0.00 27.48 27.94 6ald h GLN 60 CO 0.02 0.68 0.43 1.25 -1.93 0.00 0.00 178.83 179.28 6ald h LEU 61 N 1.06 0.57 0.11 -2.39 6.46 -0.49 -0.59 115.31 120.04 6ald h LEU 61 Ca 0.41 0.07 -0.17 0.00 -0.12 0.00 0.00 57.88 58.07 6ald h LEU 61 Cb 0.23 -0.03 0.02 0.00 -0.73 0.00 0.00 40.66 40.14 6ald h LEU 61 CO -0.16 0.30 -0.72 -0.07 -0.62 0.00 0.00 178.44 177.17 6ald h LEU 62 N 0.69 0.44 -0.71 2.25 3.38 -1.01 -3.27 115.31 117.07 6ald h LEU 62 Ca 0.41 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.46 6ald h LEU 62 Cb 0.47 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.08 6ald h LEU 62 CO -0.29 1.33 0.00 0.18 0.09 0.00 0.00 178.44 179.75 6ald n LEU 63 N -4.18 0.68 -0.81 1.67 4.77 -0.37 -2.97 117.00 115.79 6ald n LEU 63 Ca -0.13 0.67 0.07 0.00 -0.03 0.00 0.00 56.01 56.59 6ald n LEU 63 Cb 0.77 -0.58 0.18 0.00 -2.33 0.00 0.00 43.42 41.47 6ald n LEU 63 CO 0.47 -0.56 0.65 0.35 -1.33 0.00 0.00 177.39 176.97 6ald n THR 64 N -2.25 0.87 -1.40 -5.08 -2.24 -0.25 -4.66 114.28 99.27 6ald n THR 64 Ca 0.02 -0.94 -0.36 0.00 -2.27 0.00 0.00 64.05 60.50 6ald n THR 64 Cb 0.23 0.60 0.07 0.00 -2.10 0.00 0.00 70.33 69.14 6ald n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 6ald n ALA 65 N 0.84 -0.46 -0.74 6.98 0.00 -1.16 -4.90 120.51 121.07 6ald n ALA 65 Ca 0.14 -0.15 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 6ald n ALA 65 Cb 0.47 -2.04 0.14 0.00 0.00 0.00 0.00 19.45 18.02 6ald n ALA 65 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 6ald n ASP 66 N -1.06 -2.48 0.00 0.00 5.68 -1.26 -4.81 116.55 112.61 6ald n ASP 66 Ca 0.13 0.01 0.02 0.00 -0.50 0.00 0.00 54.79 54.44 6ald n ASP 66 Cb 0.49 -0.98 0.10 0.00 -1.14 0.00 0.00 41.12 39.60 6ald n ASP 66 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 6ald n ASP 67 N -1.02 0.00 0.27 -1.12 8.00 -1.26 -2.66 116.55 118.76 6ald n ASP 67 Ca 0.02 0.21 0.12 0.00 0.71 0.00 0.00 54.79 55.84 6ald n ASP 67 Cb 0.61 -0.27 0.75 0.00 -0.02 0.00 0.00 41.12 42.19 6ald n ASP 67 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 6ald h ARG 68 N 0.00 0.00 0.00 -1.24 3.08 -2.00 -1.38 114.38 112.84 6ald h ARG 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 6ald h ARG 68 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 6ald h ARG 68 CO 0.00 0.08 -0.16 -0.24 -1.07 0.00 0.00 179.97 178.58 6ald h VAL 69 N 0.00 0.00 -0.19 2.04 3.04 -1.83 -3.39 116.25 115.93 6ald h VAL 69 Ca -0.00 -0.69 0.05 0.00 -1.01 0.00 0.00 66.70 65.05 6ald h VAL 69 Cb 0.19 1.60 -0.07 0.00 -2.01 0.00 0.00 31.29 31.00 6ald h VAL 69 CO 0.01 0.00 -0.38 0.78 -1.01 0.00 0.00 177.57 176.97 6ald h ASN 70 N 0.00 -1.22 0.60 3.17 4.21 -1.46 -0.83 115.58 120.06 6ald h ASN 70 Ca 0.00 0.17 0.00 0.00 1.21 0.00 0.00 56.30 57.68 6ald h ASN 70 Cb 0.85 0.51 0.00 0.00 -1.12 0.00 0.00 38.32 38.56 6ald h ASN 70 CO 0.00 -0.39 0.00 -0.81 -1.29 0.00 0.00 177.43 174.94 6ald n PRO 71 N -5.43 0.08 0.02 0.81 -0.04 -1.26 -2.87 135.00 126.32 6ald n PRO 71 Ca -0.03 0.32 -0.00 0.00 -0.04 0.00 0.00 63.50 63.75 6ald n PRO 71 Cb 0.35 -1.66 -0.09 0.00 -0.04 0.00 0.00 33.50 32.06 6ald n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 6ald s ILE 73 N -2.92 3.64 -0.91 0.00 -1.09 -0.49 -0.66 121.20 118.78 6ald s ILE 73 Ca -0.03 -1.31 0.23 0.00 -2.23 0.00 0.00 60.65 57.31 6ald s ILE 73 Cb 0.09 -3.13 -0.10 0.00 -1.58 0.00 0.00 42.46 37.74 6ald s ILE 73 CO 0.82 -0.26 1.16 0.61 -1.23 0.00 0.00 174.94 176.03 6ald n GLY 74 N 4.77 -1.16 3.55 6.18 0.00 0.31 -4.32 105.19 114.51 6ald n GLY 74 Ca -0.11 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 6ald n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 6ald s GLY 75 N -3.16 -0.34 -0.07 -0.02 0.00 -1.01 -1.57 107.32 101.16 6ald s GLY 75 Ca 0.08 1.68 -0.03 0.00 0.00 0.00 0.00 44.72 46.45 6ald s GLY 75 CO 0.78 0.79 0.15 0.54 0.00 0.00 0.00 173.10 175.36 6ald s VAL 76 N -1.78 -0.05 -0.08 1.40 0.11 -0.73 -1.05 120.40 118.22 6ald s VAL 76 Ca 0.01 0.18 -0.18 0.00 -2.93 0.00 0.00 61.98 59.06 6ald s VAL 76 Cb -0.01 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 6ald s VAL 76 CO -0.02 0.07 0.47 -0.63 -3.33 0.00 0.00 175.10 171.67 6ald s ILE 77 N 1.17 5.12 0.25 7.04 1.01 0.15 -1.31 121.20 134.62 6ald s ILE 77 Ca -0.09 0.96 0.11 0.00 0.00 0.00 0.00 60.65 61.63 6ald s ILE 77 Cb -0.11 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 6ald s ILE 77 CO -0.06 0.39 -0.17 -0.76 0.00 0.00 0.00 174.94 174.34 6ald s LEU 78 N 0.17 2.67 0.45 2.97 1.43 -0.08 -0.84 118.68 125.46 6ald s LEU 78 Ca 0.26 -0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 6ald s LEU 78 Cb -0.16 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 6ald s LEU 78 CO 0.12 0.06 0.72 0.12 0.23 0.00 0.00 176.35 177.59 6ald s PHE 79 N -2.20 3.49 0.16 0.29 5.36 -1.26 -2.37 117.98 121.45 6ald s PHE 79 Ca 0.27 0.62 -0.28 0.00 -0.96 0.00 0.00 56.93 56.58 6ald s PHE 79 Cb -0.06 -2.22 -0.02 0.00 -0.34 0.00 0.00 43.02 40.38 6ald s PHE 79 CO 0.14 -0.21 1.56 1.25 -1.46 0.00 0.00 175.22 176.50 6ald h HIS 80 N 0.36 -1.45 -0.44 10.12 6.17 -1.94 -1.86 115.15 126.12 6ald h HIS 80 Ca -0.48 0.08 0.05 0.00 0.71 0.00 0.00 60.37 60.74 6ald h HIS 80 Cb 1.22 0.71 -0.08 0.00 2.52 0.00 0.00 27.41 31.77 6ald h HIS 80 CO 0.54 -0.44 -0.56 1.49 0.71 0.00 0.00 177.93 179.67 6ald h GLU 81 N -0.27 -0.36 -0.94 5.26 4.81 -1.99 -1.97 114.58 119.11 6ald h GLU 81 Ca 0.14 0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.56 6ald h GLU 81 Cb 0.57 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.93 6ald h GLU 81 CO -0.67 -0.24 0.55 1.15 -0.73 0.00 0.00 179.01 179.07 6ald h THR 82 N -0.38 0.76 0.00 0.32 2.02 -1.80 -0.52 112.91 113.31 6ald h THR 82 Ca 0.08 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.00 6ald h THR 82 Cb 0.58 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 6ald h THR 82 CO -0.61 0.14 0.10 0.25 0.37 0.00 0.00 175.52 175.76 6ald h LEU 83 N 0.76 0.00 -3.03 2.58 5.85 -0.56 -0.90 115.31 120.01 6ald h LEU 83 Ca 0.52 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.24 6ald h LEU 83 Cb 0.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.75 6ald h LEU 83 CO -0.35 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.53 6ald n TYR 84 N -2.47 0.21 -3.17 1.25 4.01 -0.21 -4.61 117.16 112.16 6ald n TYR 84 Ca -0.02 -0.80 -0.19 0.00 -0.16 0.00 0.00 57.90 56.74 6ald n TYR 84 Cb 0.14 -0.14 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 6ald n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 6ald s GLN 85 N -2.19 2.95 0.15 -0.72 -0.21 -0.34 -4.99 119.66 114.31 6ald s GLN 85 Ca 0.24 -1.05 0.06 0.00 0.02 0.00 0.00 55.36 54.63 6ald s GLN 85 Cb 0.20 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 6ald s GLN 85 CO 0.04 -0.16 -0.13 0.15 -2.12 0.00 0.00 175.29 173.07 6ald s LYS 86 N -4.32 1.11 0.74 2.91 1.02 -1.26 -1.57 119.74 118.37 6ald s LYS 86 Ca 0.50 -1.41 -0.12 0.00 0.02 0.00 0.00 55.97 54.97 6ald s LYS 86 Cb -0.10 -0.84 0.04 0.00 -0.52 0.00 0.00 37.83 36.40 6ald s LYS 86 CO 0.33 0.14 1.11 0.00 -0.92 0.00 0.00 175.35 176.01 6ald s ALA 87 N -2.82 2.73 0.54 5.17 0.00 0.20 -4.85 121.76 122.72 6ald s ALA 87 Ca 0.15 -0.37 0.39 0.00 0.00 0.00 0.00 51.96 52.13 6ald s ALA 87 Cb -0.01 -3.03 1.58 0.00 0.00 0.00 0.00 23.12 21.66 6ald s ALA 87 CO 0.03 -1.34 1.76 -0.44 0.00 0.00 0.00 175.76 175.77 6ald h ASP 88 N -0.81 0.02 -0.22 0.00 3.32 -1.97 0.55 116.42 117.31 6ald h ASP 88 Ca -0.46 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 6ald h ASP 88 Cb 1.27 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 6ald h ASP 88 CO 0.63 -0.00 0.02 -0.90 -1.72 0.00 0.00 179.24 177.27 6ald n ASP 89 N -4.15 2.78 -0.06 6.45 5.75 -1.26 -4.84 116.55 121.22 6ald n ASP 89 Ca 0.29 -2.36 -0.01 0.00 -0.01 0.00 0.00 54.79 52.70 6ald n ASP 89 Cb 1.38 -0.57 -0.00 0.00 -1.03 0.00 0.00 41.12 40.90 6ald n ASP 89 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 6ald n GLY 90 N 0.21 0.24 3.68 6.12 0.00 0.19 -4.96 105.19 110.67 6ald n GLY 90 Ca 0.11 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 6ald n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 6ald s ARG 91 N -1.40 4.32 0.33 1.61 3.52 -1.23 -4.75 118.95 121.35 6ald s ARG 91 Ca 0.00 1.03 -0.29 0.00 -0.13 0.00 0.00 55.73 56.34 6ald s ARG 91 Cb 0.00 -3.56 -0.12 0.00 -1.56 0.00 0.00 34.95 29.72 6ald s ARG 91 CO 0.00 -0.28 1.48 -2.30 -0.81 0.00 0.00 175.30 173.39 6ald n PRO 92 N 5.03 2.51 -0.25 5.12 -0.02 -1.26 0.58 135.00 146.71 6ald n PRO 92 Ca 0.04 0.88 0.05 0.00 -2.02 0.00 0.00 63.50 62.46 6ald n PRO 92 Cb 0.49 -2.60 0.19 0.00 -0.02 0.00 0.00 33.50 31.56 6ald n PRO 92 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 6ald h PHE 93 N 3.61 0.45 -0.48 6.00 0.04 -1.56 0.23 116.94 125.23 6ald h PHE 93 Ca -0.48 0.04 0.13 0.00 2.80 0.00 0.00 57.97 60.46 6ald h PHE 93 Cb 1.25 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.29 6ald h PHE 93 CO 0.55 0.02 0.34 -1.35 -0.60 0.00 0.00 178.31 177.26 6ald h PRO 94 N 0.39 0.04 -0.06 1.51 0.11 -1.84 -0.17 132.00 131.98 6ald h PRO 94 Ca 0.42 -0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.29 6ald h PRO 94 Cb 0.66 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.77 6ald h PRO 94 CO -0.43 0.03 -0.90 0.37 -0.21 0.00 0.00 178.00 176.86 6ald h GLN 95 N 0.04 0.64 0.62 1.05 4.15 -0.92 -1.79 115.11 118.90 6ald h GLN 95 Ca 0.23 -0.60 -0.03 0.00 0.77 0.00 0.00 58.65 59.01 6ald h GLN 95 Cb 0.85 0.15 0.01 0.00 0.21 0.00 0.00 27.48 28.70 6ald h GLN 95 CO -0.01 1.21 -0.30 0.28 -1.93 0.00 0.00 178.83 178.08 6ald h VAL 96 N 0.40 0.39 -0.01 2.39 2.07 -0.34 0.14 116.25 121.29 6ald h VAL 96 Ca -0.08 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.46 6ald h VAL 96 Cb 1.53 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 6ald h VAL 96 CO 0.17 0.00 -0.42 0.40 0.02 0.00 0.00 177.57 177.74 6ald h ILE 97 N -0.84 0.15 -0.57 4.57 2.04 -1.30 -2.55 117.51 119.01 6ald h ILE 97 Ca -0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.86 6ald h ILE 97 Cb 0.64 0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 6ald h ILE 97 CO 0.14 0.00 0.22 0.50 0.00 0.00 0.00 178.15 179.00 6ald h LYS 98 N -0.57 0.39 -0.06 2.37 3.64 -1.22 -0.68 116.57 120.44 6ald h LYS 98 Ca 0.05 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 6ald h LYS 98 Cb 0.65 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 6ald h LYS 98 CO -0.32 0.26 0.12 0.66 -2.27 0.00 0.00 179.45 177.89 6ald h SER 99 N 0.40 0.00 -0.57 4.20 4.64 -0.32 0.21 113.55 122.12 6ald h SER 99 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 6ald h SER 99 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 6ald h SER 99 CO -0.28 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.97 6ald n LYS 100 N -3.43 2.80 -0.87 4.77 5.02 -0.32 -4.91 118.16 121.22 6ald n LYS 100 Ca -0.01 -2.24 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 6ald n LYS 100 Cb 0.20 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 6ald n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 6ald n GLY 101 N 1.23 0.55 3.93 0.72 0.00 0.75 -4.71 105.19 107.66 6ald n GLY 101 Ca 0.21 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 6ald n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 6ald s GLY 102 N -2.09 1.86 -0.04 -0.02 0.00 -0.88 -4.81 107.32 101.34 6ald s GLY 102 Ca 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 44.72 43.75 6ald s GLY 102 CO 0.00 -0.81 0.34 0.14 0.00 0.00 0.00 173.10 172.77 6ald s VAL 103 N -1.79 5.16 -0.14 1.40 1.01 -0.61 -3.53 120.40 121.90 6ald s VAL 103 Ca 0.38 0.68 -0.19 0.00 0.00 0.00 0.00 61.98 62.84 6ald s VAL 103 Cb -0.11 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 6ald s VAL 103 CO 0.28 0.58 0.53 -0.69 0.00 0.00 0.00 175.10 175.80 6ald s VAL 104 N -0.98 5.14 0.22 2.92 1.01 -1.26 -1.77 120.40 125.67 6ald s VAL 104 Ca 0.21 1.03 0.10 0.00 0.00 0.00 0.00 61.98 63.32 6ald s VAL 104 Cb -0.15 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 6ald s VAL 104 CO 0.11 0.26 -0.12 -0.83 0.00 0.00 0.00 175.10 174.51 6ald s GLY 105 N 0.84 1.74 -0.03 4.51 0.00 -0.43 -0.09 107.32 113.86 6ald s GLY 105 Ca 0.27 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.38 6ald s GLY 105 CO 0.11 -1.65 -0.00 -1.50 0.00 0.00 0.00 173.10 170.05 6ald s ILE 106 N -1.96 0.20 -0.02 0.90 1.10 -0.19 -0.90 121.20 120.32 6ald s ILE 106 Ca 0.26 0.07 -0.30 0.00 -0.51 0.00 0.00 60.65 60.17 6ald s ILE 106 Cb -0.07 -0.29 -0.04 0.00 0.15 0.00 0.00 42.46 42.20 6ald s ILE 106 CO 0.15 0.15 1.26 -0.75 -2.11 0.00 0.00 174.94 173.64 6ald s LYS 107 N 1.01 4.34 0.00 3.50 2.20 -1.00 -1.28 119.74 128.51 6ald s LYS 107 Ca -0.10 1.77 0.07 0.00 -0.36 0.00 0.00 55.97 57.36 6ald s LYS 107 Cb -0.14 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 6ald s LYS 107 CO -0.02 -0.46 0.44 1.33 -0.36 0.00 0.00 175.35 176.29 6ald n VAL 108 N 4.54 0.00 -1.84 4.02 0.24 -0.21 -4.65 118.33 120.42 6ald n VAL 108 Ca 0.11 -0.39 -0.31 0.00 -2.04 0.00 0.00 64.34 61.72 6ald n VAL 108 Cb 0.45 1.05 0.01 0.00 -1.47 0.00 0.00 33.84 33.89 6ald n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 6ald s ASP 109 N -1.34 6.15 -0.34 -1.34 1.47 -1.24 -4.80 116.67 115.23 6ald s ASP 109 Ca 0.05 1.43 0.07 0.00 1.18 0.00 0.00 52.55 55.28 6ald s ASP 109 Cb 0.06 -2.47 0.48 0.00 -0.34 0.00 0.00 42.92 40.65 6ald s ASP 109 CO 0.23 -0.93 1.44 0.29 0.68 0.00 0.00 175.17 176.88 6ald n LYS 110 N -2.79 2.56 0.00 2.11 5.02 0.15 -4.93 118.16 120.28 6ald n LYS 110 Ca 0.06 -3.56 0.00 0.00 -2.02 0.00 0.00 58.31 52.79 6ald n LYS 110 Cb 0.54 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 6ald n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 6ald n GLY 111 N -0.95 -1.31 3.86 0.72 0.00 -1.26 -4.67 105.19 101.57 6ald n GLY 111 Ca 0.41 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 6ald n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 6ald s VAL 112 N -2.46 4.68 0.04 1.61 -7.23 -1.26 -1.66 120.40 114.11 6ald s VAL 112 Ca 0.00 0.88 0.05 0.00 -1.81 0.00 0.00 61.98 61.10 6ald s VAL 112 Cb 0.00 -3.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.21 6ald s VAL 112 CO 0.00 -0.52 -0.14 0.68 -0.31 0.00 0.00 175.10 174.81 6ald s VAL 113 N -2.40 1.07 0.34 1.32 -7.23 0.24 -4.90 120.40 108.84 6ald s VAL 113 Ca 0.54 -0.98 -0.29 0.00 -1.81 0.00 0.00 61.98 59.45 6ald s VAL 113 Cb -0.10 -0.97 -0.11 0.00 0.56 0.00 0.00 36.38 35.76 6ald s VAL 113 CO 0.29 -0.01 1.38 -2.16 -0.31 0.00 0.00 175.10 174.29 6ald s PRO 114 N -1.13 4.27 -0.34 4.82 0.04 -1.26 -1.52 135.00 139.88 6ald s PRO 114 Ca 0.01 2.34 -0.17 0.00 0.04 0.00 0.00 61.00 63.22 6ald s PRO 114 Cb -0.08 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.41 6ald s PRO 114 CO 0.01 -0.33 0.46 -1.17 0.04 0.00 0.00 177.00 176.02 6ald s LEU 115 N -1.74 4.34 0.39 -3.56 2.96 0.40 -4.83 118.68 116.64 6ald s LEU 115 Ca 0.51 -0.04 -0.27 0.00 -0.22 0.00 0.00 54.13 54.12 6ald s LEU 115 Cb -0.42 -2.51 -0.10 0.00 0.50 0.00 0.00 46.19 43.66 6ald s LEU 115 CO 0.55 -0.41 1.36 0.00 -1.32 0.00 0.00 176.35 176.53 6ald s ALA 116 N 2.26 3.39 0.00 5.97 0.00 -1.26 -2.68 121.76 129.44 6ald s ALA 116 Ca 0.17 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.48 6ald s ALA 116 Cb -0.16 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.44 6ald s ALA 116 CO 0.12 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.41 6ald n GLY 117 N 0.64 0.64 3.73 0.00 0.00 -1.26 -5.03 105.19 103.92 6ald n GLY 117 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 6ald n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 6ald s THR 118 N -2.47 2.11 -1.19 2.61 -4.23 -1.09 -5.06 115.64 106.32 6ald s THR 118 Ca 0.00 -1.75 -0.11 0.00 -1.18 0.00 0.00 61.69 58.65 6ald s THR 118 Cb 0.00 -2.87 0.21 0.00 1.34 0.00 0.00 72.50 71.18 6ald s THR 118 CO 0.00 0.00 1.46 -3.20 -0.54 0.00 0.00 174.62 172.34 6ald n ASN 119 N -1.24 5.39 -0.96 3.99 5.15 -1.26 -4.52 115.26 121.80 6ald n ASN 119 Ca -0.03 -3.06 -0.13 0.00 -0.60 0.00 0.00 54.58 50.76 6ald n ASN 119 Cb 0.65 -1.48 -0.05 0.00 -0.53 0.00 0.00 39.78 38.37 6ald n ASN 119 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 6ald n GLY 120 N 3.23 1.34 3.91 8.20 0.00 -1.26 -5.00 105.19 115.60 6ald n GLY 120 Ca 0.33 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 6ald n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 6ald s GLU 121 N -3.02 3.27 0.35 1.61 2.02 -1.26 -4.95 118.70 116.72 6ald s GLU 121 Ca 0.00 0.16 0.04 0.00 0.02 0.00 0.00 54.97 55.19 6ald s GLU 121 Cb 0.00 -2.30 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 6ald s GLU 121 CO 0.00 -0.45 0.37 0.25 0.02 0.00 0.00 175.26 175.45 6ald n THR 122 N -2.44 0.00 -4.12 3.63 -2.24 -1.26 -0.45 114.28 107.39 6ald n THR 122 Ca 0.03 -2.21 -0.14 0.00 -2.27 0.00 0.00 64.05 59.46 6ald n THR 122 Cb 0.56 1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 69.92 6ald n THR 122 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 6ald s THR 123 N -3.15 0.00 0.10 4.28 -1.32 -0.58 -4.82 115.64 110.16 6ald s THR 123 Ca 0.36 -1.70 0.08 0.00 -1.21 0.00 0.00 61.69 59.21 6ald s THR 123 Cb 0.01 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.46 6ald s THR 123 CO 0.26 0.00 -0.20 0.42 -2.21 0.00 0.00 174.62 172.89 6ald s THR 124 N -3.55 1.62 0.49 5.08 -4.23 -1.26 0.81 115.64 114.61 6ald s THR 124 Ca 0.32 -1.52 0.07 0.00 -1.18 0.00 0.00 61.69 59.38 6ald s THR 124 Cb 0.02 -1.50 0.02 0.00 1.34 0.00 0.00 72.50 72.38 6ald s THR 124 CO 0.17 -0.10 0.42 0.00 -0.54 0.00 0.00 174.62 174.58 6ald s GLN 125 N -1.92 2.36 0.00 3.99 -2.07 -0.67 -4.91 119.66 116.44 6ald s GLN 125 Ca 0.05 -1.79 0.00 0.00 -1.82 0.00 0.00 55.36 51.80 6ald s GLN 125 Cb -0.10 -2.25 0.00 0.00 -1.09 0.00 0.00 33.01 29.57 6ald s GLN 125 CO 0.04 -0.46 0.00 0.41 -1.32 0.00 0.00 175.29 173.96 6ald n GLY 126 N -1.70 -0.14 0.17 2.60 0.00 -1.26 0.30 105.19 105.15 6ald n GLY 126 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 6ald n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 6ald h LEU 127 N 0.00 0.00 -9.27 0.99 3.38 -1.91 -3.40 115.31 105.10 6ald h LEU 127 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 6ald h LEU 127 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 6ald h LEU 127 CO 0.00 0.41 1.17 -1.81 0.09 0.00 0.00 178.44 178.30 6ald s ASP 128 N -6.40 6.50 -1.57 -0.43 1.01 -1.26 -2.10 116.67 112.42 6ald s ASP 128 Ca 0.03 2.36 0.00 0.00 0.71 0.00 0.00 52.55 55.65 6ald s ASP 128 Cb 0.08 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.48 6ald s ASP 128 CO 0.71 -1.05 0.00 0.61 0.21 0.00 0.00 175.17 175.65 6ald n GLY 129 N 4.41 1.51 0.30 0.21 0.00 -1.26 -4.87 105.19 105.49 6ald n GLY 129 Ca 0.19 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 6ald n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 6ald h LEU 130 N 0.00 0.80 0.60 0.99 5.85 -1.64 -2.37 115.31 119.54 6ald h LEU 130 Ca -0.30 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 6ald h LEU 130 Cb 1.02 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 6ald h LEU 130 CO 0.44 0.81 -0.49 -1.28 -0.34 0.00 0.00 178.44 177.59 6ald h SER 131 N 0.81 -1.30 -0.18 1.25 0.87 -1.89 0.23 113.55 113.34 6ald h SER 131 Ca 0.17 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.83 6ald h SER 131 Cb 0.35 0.41 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 6ald h SER 131 CO 0.01 -0.68 0.12 1.05 -0.53 0.00 0.00 176.83 176.80 6ald h GLU 132 N -1.05 0.20 -0.41 2.24 9.09 -1.97 -0.34 114.58 122.34 6ald h GLU 132 Ca -0.08 -0.01 -0.07 0.00 0.05 0.00 0.00 59.36 59.25 6ald h GLU 132 Cb 0.88 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.92 6ald h GLU 132 CO 0.00 0.13 0.00 0.00 0.05 0.00 0.00 179.01 179.19 6ald h ARG 133 N 0.20 0.73 -0.35 1.06 3.08 -0.88 -1.92 114.38 116.30 6ald h ARG 133 Ca 0.07 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.79 6ald h ARG 133 Cb 0.04 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 6ald h ARG 133 CO -0.01 0.81 -0.18 0.00 -1.07 0.00 0.00 179.97 179.52 6ald h ALA 135 N 1.23 1.16 0.11 0.00 0.00 -0.90 -0.40 119.26 120.46 6ald h ALA 135 Ca 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 6ald h ALA 135 Cb 0.63 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.22 6ald h ALA 135 CO 0.04 0.55 -0.05 0.37 0.00 0.00 0.00 179.25 180.16 6ald h GLN 136 N 0.75 -0.14 -0.99 0.00 5.75 -0.96 -2.74 115.11 116.79 6ald h GLN 136 Ca 0.16 0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.79 6ald h GLN 136 Cb 0.38 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.88 6ald h GLN 136 CO 0.01 0.34 0.62 1.88 -2.65 0.00 0.00 178.83 179.03 6ald h TYR 137 N -0.73 1.10 -0.69 3.99 0.05 -1.00 0.49 116.97 120.18 6ald h TYR 137 Ca -0.02 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 6ald h TYR 137 Cb 0.55 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 6ald h TYR 137 CO 0.10 0.42 0.36 -0.22 -1.05 0.00 0.00 178.16 177.77 6ald h LYS 138 N 0.94 0.98 -0.21 4.88 1.63 -1.09 0.30 116.57 123.99 6ald h LYS 138 Ca 0.50 -0.13 -0.09 0.00 -0.85 0.00 0.00 60.65 60.08 6ald h LYS 138 Cb 0.55 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 6ald h LYS 138 CO -0.27 0.75 -0.24 0.87 -3.45 0.00 0.00 179.45 177.11 6ald h LYS 139 N 0.96 0.40 -0.75 1.90 1.57 -0.72 -2.91 116.57 117.02 6ald h LYS 139 Ca 0.24 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 6ald h LYS 139 Cb 0.07 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.35 6ald h LYS 139 CO -0.04 0.62 0.00 -0.25 -0.57 0.00 0.00 179.45 179.21 6ald n ASP 140 N -4.14 2.98 0.00 0.86 8.00 -0.02 -4.89 116.55 119.33 6ald n ASP 140 Ca -0.00 -2.37 0.00 0.00 0.71 0.00 0.00 54.79 53.13 6ald n ASP 140 Cb 0.38 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 6ald n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 6ald n GLY 141 N 0.38 0.49 3.82 0.44 0.00 -1.04 -4.91 105.19 104.37 6ald n GLY 141 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 6ald n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 6ald s ALA 142 N -2.06 3.53 0.00 4.61 0.00 0.04 -4.36 121.76 123.51 6ald s ALA 142 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.00 6ald s ALA 142 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.45 6ald s ALA 142 CO 0.00 0.39 0.00 -0.25 0.00 0.00 0.00 175.76 175.90 6ald n ASP 143 N 1.12 0.94 -3.87 0.00 8.00 0.88 -4.10 116.55 119.51 6ald n ASP 143 Ca -0.06 -0.31 -0.09 0.00 0.71 0.00 0.00 54.79 55.03 6ald n ASP 143 Cb 0.51 0.81 -0.08 0.00 -0.02 0.00 0.00 41.12 42.34 6ald n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 6ald s PHE 144 N -1.00 0.14 0.37 1.24 -0.12 -1.17 -1.07 117.98 116.36 6ald s PHE 144 Ca 0.00 -0.48 0.06 0.00 -0.05 0.00 0.00 56.93 56.47 6ald s PHE 144 Cb 0.00 -0.08 -0.07 0.00 -0.63 0.00 0.00 43.02 42.24 6ald s PHE 144 CO 0.00 -0.47 0.01 0.00 -0.05 0.00 0.00 175.22 174.71 6ald s ALA 145 N -3.19 2.83 -0.02 1.99 0.00 -0.42 -1.03 121.76 121.93 6ald s ALA 145 Ca -0.00 -2.18 0.03 0.00 0.00 0.00 0.00 51.96 49.81 6ald s ALA 145 Cb 0.02 0.31 -0.00 0.00 0.00 0.00 0.00 23.12 23.44 6ald s ALA 145 CO -0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 175.76 175.41 6ald s ALA 146 N -2.91 1.04 -0.19 0.00 0.00 -0.40 -2.74 121.76 116.56 6ald s ALA 146 Ca 0.35 -0.48 -0.04 0.00 0.00 0.00 0.00 51.96 51.78 6ald s ALA 146 Cb 0.08 -0.32 0.09 0.00 0.00 0.00 0.00 23.12 22.98 6ald s ALA 146 CO 0.17 0.21 0.30 -0.46 0.00 0.00 0.00 175.76 175.98 6ald s TRP 147 N -0.07 -0.53 -0.20 0.00 -0.11 -1.26 -1.04 118.94 115.72 6ald s TRP 147 Ca 0.01 0.80 -0.09 0.00 1.22 0.00 0.00 56.10 58.03 6ald s TRP 147 Cb -0.07 -0.07 -0.05 0.00 -1.50 0.00 0.00 33.47 31.78 6ald s TRP 147 CO 0.00 -0.53 0.12 0.50 -4.62 0.00 0.00 176.95 172.42 6ald s ARG 148 N 2.45 4.11 -0.07 5.86 3.52 -1.26 -3.40 118.95 130.15 6ald s ARG 148 Ca 0.05 -0.26 0.02 0.00 -0.13 0.00 0.00 55.73 55.41 6ald s ARG 148 Cb -0.14 -3.39 -0.02 0.00 -1.56 0.00 0.00 34.95 29.83 6ald s ARG 148 CO -0.12 0.24 -0.13 0.00 -0.81 0.00 0.00 175.30 174.48 6ald s VAL 150 N -0.48 2.94 0.13 0.00 1.01 -1.26 -1.57 120.40 121.16 6ald s VAL 150 Ca 0.06 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.40 6ald s VAL 150 Cb -0.12 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 6ald s VAL 150 CO 0.02 0.54 -0.16 -0.76 0.00 0.00 0.00 175.10 174.73 6ald s LEU 151 N 0.23 2.39 0.00 3.92 1.02 0.49 -4.54 118.68 122.19 6ald s LEU 151 Ca -0.09 -0.80 -0.02 0.00 0.02 0.00 0.00 54.13 53.24 6ald s LEU 151 Cb -0.16 -0.66 -0.01 0.00 0.02 0.00 0.00 46.19 45.39 6ald s LEU 151 CO 0.05 -0.09 0.02 -1.59 0.02 0.00 0.00 176.35 174.77 6ald s LYS 152 N -2.56 0.23 -0.13 1.70 -2.85 -1.26 0.26 119.74 115.12 6ald s LYS 152 Ca 0.10 -0.31 -0.19 0.00 -1.00 0.00 0.00 55.97 54.56 6ald s LYS 152 Cb -0.06 0.09 -0.04 0.00 -2.06 0.00 0.00 37.83 35.76 6ald s LYS 152 CO 0.04 -0.04 0.54 0.42 0.10 0.00 0.00 175.35 176.41 6ald s ILE 153 N -0.85 5.13 0.00 3.79 1.01 -1.26 -2.33 121.20 126.68 6ald s ILE 153 Ca -0.09 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.63 6ald s ILE 153 Cb -0.06 -3.88 0.00 0.00 0.01 0.00 0.00 42.46 38.53 6ald s ILE 153 CO -0.00 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.81 6ald n GLY 154 N 3.42 2.05 0.27 6.18 0.00 -0.41 -4.79 105.19 111.91 6ald n GLY 154 Ca -0.05 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 6ald n GLY 154 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 6ald h GLU 155 N 0.00 -0.16 -0.03 1.61 -0.00 -2.01 -3.15 114.58 110.84 6ald h GLU 155 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 59.36 6ald h GLU 155 Cb 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 28.78 6ald h GLU 155 CO 0.00 -0.10 -0.34 0.72 -0.00 0.00 0.00 179.01 179.29 6ald n HIS 156 N -4.36 0.10 -4.21 2.06 8.25 -1.26 -5.02 115.22 110.77 6ald n HIS 156 Ca -0.01 -1.37 -0.18 0.00 -0.26 0.00 0.00 57.72 55.90 6ald n HIS 156 Cb 0.19 -0.24 -0.12 0.00 1.12 0.00 0.00 29.99 30.94 6ald n HIS 156 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 6ald s THR 157 N -3.14 1.04 0.15 1.59 -4.23 -1.19 -3.32 115.64 106.53 6ald s THR 157 Ca 0.37 -1.17 -0.30 0.00 -1.18 0.00 0.00 61.69 59.41 6ald s THR 157 Cb 0.35 -0.99 -0.08 0.00 1.34 0.00 0.00 72.50 73.12 6ald s THR 157 CO -0.04 -0.16 1.28 -2.84 -0.54 0.00 0.00 174.62 172.32 6ald s PRO 158 N -1.51 4.40 0.76 3.99 0.02 -0.98 -1.29 135.00 140.39 6ald s PRO 158 Ca -0.02 1.97 -0.11 0.00 0.02 0.00 0.00 61.00 62.86 6ald s PRO 158 Cb -0.09 -3.24 0.05 0.00 0.02 0.00 0.00 34.50 31.23 6ald s PRO 158 CO 0.02 -0.26 1.09 -1.54 -0.33 0.00 0.00 177.00 175.98 6ald s SER 159 N 0.58 4.87 0.41 2.53 1.04 -1.21 -4.83 113.70 117.10 6ald s SER 159 Ca 0.58 1.28 0.10 0.00 0.48 0.00 0.00 55.95 58.39 6ald s SER 159 Cb -0.34 -2.05 0.91 0.00 0.10 0.00 0.00 66.02 64.64 6ald s SER 159 CO 0.34 -1.72 2.01 0.00 0.98 0.00 0.00 173.24 174.85 6ald h ALA 160 N -0.92 1.84 0.05 5.32 0.00 -2.00 -1.46 119.26 122.10 6ald h ALA 160 Ca -0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 6ald h ALA 160 Cb 1.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.91 6ald h ALA 160 CO 0.60 0.08 -0.02 1.25 0.00 0.00 0.00 179.25 181.16 6ald h LEU 161 N 0.53 -0.06 -0.21 0.00 6.46 -1.98 -1.44 115.31 118.61 6ald h LEU 161 Ca 0.23 -0.33 0.05 0.00 -0.12 0.00 0.00 57.88 57.72 6ald h LEU 161 Cb 0.25 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.14 6ald h LEU 161 CO -0.06 0.30 -0.16 0.00 -0.62 0.00 0.00 178.44 177.90 6ald h ALA 162 N 0.50 -0.01 -0.33 1.25 0.00 -1.75 0.37 119.26 119.27 6ald h ALA 162 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 6ald h ALA 162 Cb 0.38 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 6ald h ALA 162 CO 0.01 -0.58 0.17 0.82 0.00 0.00 0.00 179.25 179.67 6ald h ILE 163 N -0.16 1.15 -0.27 0.00 2.04 -1.32 -0.89 117.51 118.05 6ald h ILE 163 Ca 0.12 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 6ald h ILE 163 Cb 0.34 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 6ald h ILE 163 CO -0.30 0.15 -0.02 -0.03 0.00 0.00 0.00 178.15 177.95 6ald h MET 164 N 0.41 0.50 -0.01 2.37 4.05 -0.90 -1.72 114.93 119.63 6ald h MET 164 Ca 0.12 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 6ald h MET 164 Cb 0.09 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 6ald h MET 164 CO -0.02 0.68 -0.00 1.49 0.23 0.00 0.00 176.91 179.29 6ald h GLU 165 N 0.27 0.01 -0.68 0.39 4.57 -0.25 -1.88 114.58 117.01 6ald h GLU 165 Ca 0.07 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 6ald h GLU 165 Cb 0.47 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 6ald h GLU 165 CO 0.02 0.38 0.39 -0.91 -1.18 0.00 0.00 179.01 177.71 6ald h ASN 166 N -0.36 0.81 -0.27 1.04 -0.26 -1.23 -0.81 115.58 114.51 6ald h ASN 166 Ca 0.00 -0.05 -0.14 0.00 -0.56 0.00 0.00 56.30 55.56 6ald h ASN 166 Cb 0.37 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.42 6ald h ASN 166 CO 0.00 0.63 -0.32 0.00 -1.06 0.00 0.00 177.43 176.68 6ald h ALA 167 N 1.50 0.76 -0.37 -0.83 0.00 -1.27 -2.24 119.26 116.81 6ald h ALA 167 Ca 0.24 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 6ald h ALA 167 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 6ald h ALA 167 CO -0.04 0.65 -0.41 -0.97 0.00 0.00 0.00 179.25 178.48 6ald h ASN 168 N 0.66 1.00 -0.12 0.00 -1.24 -0.77 -2.76 115.58 112.35 6ald h ASN 168 Ca 0.07 -0.47 -0.11 0.00 0.71 0.00 0.00 56.30 56.50 6ald h ASN 168 Cb 0.86 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 6ald h ASN 168 CO 0.08 1.27 -0.29 1.62 -1.29 0.00 0.00 177.43 178.82 6ald h VAL 169 N 0.75 1.28 -0.22 2.57 3.04 -1.12 -1.61 116.25 120.94 6ald h VAL 169 Ca 0.05 -1.38 -0.05 0.00 -1.01 0.00 0.00 66.70 64.31 6ald h VAL 169 Cb 1.01 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 6ald h VAL 169 CO 0.10 0.44 -0.09 -0.07 -1.01 0.00 0.00 177.57 176.94 6ald h LEU 170 N 0.51 0.33 -0.18 3.16 3.38 -1.34 -1.19 115.31 119.98 6ald h LEU 170 Ca 0.07 -0.07 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 6ald h LEU 170 Cb 0.76 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.43 6ald h LEU 170 CO 0.06 0.47 -0.85 0.00 0.09 0.00 0.00 178.44 178.20 6ald h ALA 171 N 1.57 0.34 -0.19 1.53 0.00 -1.15 -0.85 119.26 120.51 6ald h ALA 171 Ca 0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 6ald h ALA 171 Cb 0.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 6ald h ALA 171 CO 0.02 0.72 0.06 0.00 0.00 0.00 0.00 179.25 180.05 6ald h ARG 172 N 0.41 0.29 -0.10 0.00 2.47 -0.94 0.14 114.38 116.65 6ald h ARG 172 Ca -0.07 -0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.61 6ald h ARG 172 Cb 1.48 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.74 6ald h ARG 172 CO 0.16 0.39 0.00 -0.92 0.56 0.00 0.00 179.97 180.17 6ald h TYR 173 N 0.13 0.00 -0.81 3.04 3.20 -1.24 -1.38 116.97 119.91 6ald h TYR 173 Ca 0.06 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.96 6ald h TYR 173 Cb 0.22 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 6ald h TYR 173 CO -0.00 -0.01 0.52 0.00 -1.64 0.00 0.00 178.16 177.03 6ald h ALA 174 N 1.08 1.04 0.07 1.82 0.00 -0.97 -1.24 119.26 121.06 6ald h ALA 174 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 6ald h ALA 174 Cb 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.55 6ald h ALA 174 CO -0.08 0.38 -0.03 1.03 0.00 0.00 0.00 179.25 180.55 6ald h SER 175 N 1.04 -0.08 -0.75 0.00 0.87 -0.25 -2.04 113.55 112.35 6ald h SER 175 Ca 0.31 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 6ald h SER 175 Cb -0.05 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.90 6ald h SER 175 CO -0.09 -0.05 0.35 0.40 -0.53 0.00 0.00 176.83 176.91 6ald h ILE 176 N -0.10 1.24 0.37 2.23 2.04 -1.05 -2.72 117.51 119.53 6ald h ILE 176 Ca -0.01 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 6ald h ILE 176 Cb 0.08 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 6ald h ILE 176 CO 0.02 0.30 -0.24 0.00 0.00 0.00 0.00 178.15 178.22 6ald h GLN 178 N -0.60 0.00 0.00 0.00 4.20 -1.22 0.38 115.11 117.87 6ald h GLN 178 Ca -0.04 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 6ald h GLN 178 Cb 0.50 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 6ald h GLN 178 CO 0.03 0.00 -0.09 1.96 -0.67 0.00 0.00 178.83 180.06 6ald h GLN 179 N 0.00 0.00 -0.35 1.46 1.08 -1.13 -3.14 115.11 113.04 6ald h GLN 179 Ca 0.00 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.05 6ald h GLN 179 Cb 0.04 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.37 6ald h GLN 179 CO -0.00 0.09 -0.05 0.09 -0.95 0.00 0.00 178.83 178.01 6ald n ASN 180 N -3.18 2.73 -1.26 1.46 3.02 0.03 -4.94 115.26 113.12 6ald n ASN 180 Ca 0.01 -3.63 -0.16 0.00 -0.03 0.00 0.00 54.58 50.76 6ald n ASN 180 Cb 0.41 -0.62 -0.07 0.00 -0.61 0.00 0.00 39.78 38.89 6ald n ASN 180 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 6ald n GLY 181 N -1.03 1.63 3.56 7.41 0.00 -1.17 -4.78 105.19 110.81 6ald n GLY 181 Ca 0.32 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 6ald n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 6ald s ILE 182 N -2.55 4.57 -0.36 -0.61 -1.09 -0.65 -4.85 121.20 115.66 6ald s ILE 182 Ca 0.00 -0.10 -0.29 0.00 -2.23 0.00 0.00 60.65 58.03 6ald s ILE 182 Cb 0.00 -3.08 0.01 0.00 -1.58 0.00 0.00 42.46 37.81 6ald s ILE 182 CO 0.00 0.41 1.27 -0.69 -1.23 0.00 0.00 174.94 174.70 6ald s VAL 183 N 0.84 4.14 0.14 2.92 1.01 -0.23 -2.85 120.40 126.37 6ald s VAL 183 Ca 0.03 1.25 -0.29 0.00 0.00 0.00 0.00 61.98 62.98 6ald s VAL 183 Cb -0.14 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 31.90 6ald s VAL 183 CO 0.02 -0.63 0.90 -2.16 0.00 0.00 0.00 175.10 173.23 6ald s PRO 184 N 4.33 4.69 -0.35 2.72 0.04 -1.25 -1.30 135.00 143.88 6ald s PRO 184 Ca 0.55 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 6ald s PRO 184 Cb -0.14 -3.34 0.04 0.00 0.04 0.00 0.00 34.50 31.11 6ald s PRO 184 CO 0.26 0.35 0.13 0.42 0.04 0.00 0.00 177.00 178.19 6ald s ILE 185 N -0.45 3.91 -0.19 0.56 1.01 -1.11 -2.42 121.20 122.52 6ald s ILE 185 Ca 0.43 -1.12 -0.29 0.00 0.00 0.00 0.00 60.65 59.67 6ald s ILE 185 Cb -0.24 -3.22 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 6ald s ILE 185 CO 0.29 -0.21 1.21 -0.69 0.00 0.00 0.00 174.94 175.54 6ald s VAL 186 N 1.42 4.38 -0.54 2.92 1.01 -0.41 -4.05 120.40 125.13 6ald s VAL 186 Ca -0.01 1.66 0.04 0.00 0.00 0.00 0.00 61.98 63.67 6ald s VAL 186 Cb -0.20 -4.09 0.14 0.00 0.00 0.00 0.00 36.38 32.23 6ald s VAL 186 CO 0.03 -0.17 0.29 -0.70 0.00 0.00 0.00 175.10 174.55 6ald s GLU 187 N 3.46 2.01 -1.15 2.72 2.12 -1.22 0.04 118.70 126.68 6ald s GLU 187 Ca 0.52 -2.69 -0.07 0.00 0.36 0.00 0.00 54.97 53.09 6ald s GLU 187 Cb -0.20 -3.28 0.26 0.00 0.26 0.00 0.00 34.13 31.17 6ald s GLU 187 CO 0.13 -1.14 1.49 -0.35 -0.54 0.00 0.00 175.26 174.85 6ald n PRO 188 N 2.98 3.99 -2.21 4.30 -0.04 -1.24 -1.24 135.00 141.53 6ald n PRO 188 Ca 0.07 -4.25 -0.41 0.00 -0.04 0.00 0.00 63.50 58.87 6ald n PRO 188 Cb 0.33 -2.66 -0.03 0.00 -0.04 0.00 0.00 33.50 31.09 6ald n PRO 188 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 6ald s GLU 189 N -1.36 4.38 -0.36 0.54 2.12 -0.61 -4.56 118.70 118.85 6ald s GLU 189 Ca 0.34 2.06 -0.03 0.00 0.36 0.00 0.00 54.97 57.70 6ald s GLU 189 Cb 0.02 -3.20 0.07 0.00 0.26 0.00 0.00 34.13 31.29 6ald s GLU 189 CO 0.03 -0.27 0.11 0.42 -0.54 0.00 0.00 175.26 175.02 6ald s ILE 190 N 0.19 3.29 0.27 -3.70 1.01 -1.26 -0.38 121.20 120.63 6ald s ILE 190 Ca 0.57 -1.62 -0.27 0.00 0.00 0.00 0.00 60.65 59.33 6ald s ILE 190 Cb -0.37 -3.05 -0.15 0.00 0.01 0.00 0.00 42.46 38.91 6ald s ILE 190 CO 0.38 -0.38 0.73 0.18 0.00 0.00 0.00 174.94 175.85 6ald n LEU 191 N 4.65 0.22 -0.50 2.97 4.32 0.14 -4.85 117.00 123.95 6ald n LEU 191 Ca -0.08 1.12 0.09 0.00 -0.02 0.00 0.00 56.01 57.11 6ald n LEU 191 Cb 0.43 -1.12 0.32 0.00 -1.62 0.00 0.00 43.42 41.42 6ald n LEU 191 CO 0.30 -2.30 0.73 -0.81 -1.22 0.00 0.00 177.39 174.10 6ald n PRO 192 N 0.83 1.65 -2.17 3.23 -0.04 -1.26 -4.41 135.00 132.83 6ald n PRO 192 Ca 0.13 -0.99 -0.39 0.00 -0.04 0.00 0.00 63.50 62.21 6ald n PRO 192 Cb 0.30 -1.33 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 6ald n PRO 192 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 6ald s ASP 193 N -1.39 6.44 0.00 3.54 1.01 -1.26 0.41 116.67 125.42 6ald s ASP 193 Ca 0.28 2.51 0.00 0.00 0.71 0.00 0.00 52.55 56.05 6ald s ASP 193 Cb 0.15 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.45 6ald s ASP 193 CO 0.22 -0.75 0.00 0.61 0.21 0.00 0.00 175.17 175.46 6ald n GLY 194 N 0.68 1.40 0.79 0.21 0.00 -1.26 -4.58 105.19 102.42 6ald n GLY 194 Ca 0.04 -2.26 0.08 0.00 0.00 0.00 0.00 46.02 43.88 6ald n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 6ald n ASP 195 N 0.00 3.60 -4.70 1.61 5.75 -1.26 -0.51 116.55 121.03 6ald n ASP 195 Ca 0.00 -2.82 -0.30 0.00 -0.01 0.00 0.00 54.79 51.67 6ald n ASP 195 Cb 0.00 -0.47 0.15 0.00 -1.03 0.00 0.00 41.12 39.77 6ald n ASP 195 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 6ald s HIS 196 N -2.46 2.24 0.32 2.11 -3.43 -1.26 -4.33 115.29 108.47 6ald s HIS 196 Ca 0.37 1.23 0.04 0.00 -0.80 0.00 0.00 55.06 55.91 6ald s HIS 196 Cb 0.29 -3.18 0.04 0.00 -1.43 0.00 0.00 32.58 28.31 6ald s HIS 196 CO 0.10 -2.52 0.37 -0.40 -2.00 0.00 0.00 174.74 170.28 6ald n ASP 197 N -3.97 1.50 -0.16 7.38 5.68 -1.26 -0.32 116.55 125.40 6ald n ASP 197 Ca 0.07 -1.94 -0.05 0.00 -0.50 0.00 0.00 54.79 52.36 6ald n ASP 197 Cb 0.55 -0.15 0.04 0.00 -1.14 0.00 0.00 41.12 40.42 6ald n ASP 197 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 6ald h LEU 198 N 0.00 0.41 -0.28 -2.12 6.46 -1.92 -2.65 115.31 115.21 6ald h LEU 198 Ca -0.17 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.64 6ald h LEU 198 Cb 0.71 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 6ald h LEU 198 CO 0.25 0.29 0.09 0.11 -0.62 0.00 0.00 178.44 178.56 6ald h LYS 199 N 0.53 0.21 -0.63 1.25 6.56 -1.95 -0.75 116.57 121.78 6ald h LYS 199 Ca 0.21 -0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.83 6ald h LYS 199 Cb 0.08 -0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 31.65 6ald h LYS 199 CO -0.13 0.14 0.37 -0.09 -2.06 0.00 0.00 179.45 177.68 6ald h ARG 200 N 0.22 0.68 -0.12 3.15 9.65 -1.91 -0.77 114.38 125.28 6ald h ARG 200 Ca 0.12 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 6ald h ARG 200 Cb 0.09 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 6ald h ARG 200 CO -0.13 0.45 0.05 0.00 2.80 0.00 0.00 179.97 183.15 6ald h GLN 202 N 0.05 1.16 0.33 0.00 4.15 -0.83 0.11 115.11 120.08 6ald h GLN 202 Ca 0.04 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 6ald h GLN 202 Cb 0.15 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.58 6ald h GLN 202 CO -0.00 0.77 -0.16 -0.92 -1.93 0.00 0.00 178.83 176.58 6ald h TYR 203 N 1.20 -0.42 -0.86 3.99 3.20 -0.86 -0.33 116.97 122.89 6ald h TYR 203 Ca 0.39 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.23 6ald h TYR 203 Cb 0.05 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.42 6ald h TYR 203 CO -0.00 -0.19 0.45 0.28 -1.64 0.00 0.00 178.16 177.06 6ald h VAL 204 N -0.56 1.25 -0.57 1.81 2.07 -0.97 -1.22 116.25 118.05 6ald h VAL 204 Ca -0.05 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 6ald h VAL 204 Cb 0.41 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 6ald h VAL 204 CO 0.08 0.29 0.32 0.74 0.02 0.00 0.00 177.57 179.01 6ald h THR 205 N 1.20 1.19 -0.41 2.57 2.02 -0.67 0.17 112.91 118.98 6ald h THR 205 Ca 0.30 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 6ald h THR 205 Cb 0.05 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 6ald h THR 205 CO -0.05 0.20 0.18 -0.33 0.37 0.00 0.00 175.52 175.90 6ald h GLU 206 N 0.78 0.61 -0.27 6.66 5.08 -0.63 0.18 114.58 126.98 6ald h GLU 206 Ca 0.20 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 6ald h GLU 206 Cb 0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 6ald h GLU 206 CO -0.03 0.55 -0.04 0.87 -1.00 0.00 0.00 179.01 179.35 6ald h LYS 207 N 0.52 0.50 -0.03 2.33 1.79 -0.98 -2.03 116.57 118.67 6ald h LYS 207 Ca 0.14 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 6ald h LYS 207 Cb 0.15 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 6ald h LYS 207 CO -0.01 0.70 0.01 0.28 -1.08 0.00 0.00 179.45 179.35 6ald h VAL 208 N 0.26 1.13 -0.46 0.50 2.07 -0.56 -2.38 116.25 116.82 6ald h VAL 208 Ca 0.07 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 6ald h VAL 208 Cb 0.50 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 6ald h VAL 208 CO 0.02 0.11 0.29 -0.07 0.02 0.00 0.00 177.57 177.93 6ald h LEU 209 N -0.10 0.54 -0.53 2.57 4.07 -0.67 -0.48 115.31 120.71 6ald h LEU 209 Ca 0.01 -0.02 -0.11 0.00 0.08 0.00 0.00 57.88 57.84 6ald h LEU 209 Cb 0.16 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 6ald h LEU 209 CO -0.00 0.42 -0.09 0.00 -1.08 0.00 0.00 178.44 177.68 6ald h ALA 210 N 1.68 0.72 -0.40 1.53 0.00 -1.20 -2.44 119.26 119.15 6ald h ALA 210 Ca 0.17 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 6ald h ALA 210 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 6ald h ALA 210 CO -0.03 0.62 -0.27 0.00 0.00 0.00 0.00 179.25 179.57 6ald h ALA 211 N 0.92 0.75 0.02 0.00 0.00 -0.86 -2.59 119.26 117.50 6ald h ALA 211 Ca 0.14 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.66 6ald h ALA 211 Cb 0.66 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 6ald h ALA 211 CO 0.05 0.66 -0.08 0.28 0.00 0.00 0.00 179.25 180.16 6ald h VAL 212 N 0.73 0.81 0.00 0.00 2.07 -0.91 -1.96 116.25 116.99 6ald h VAL 212 Ca 0.09 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 6ald h VAL 212 Cb 0.82 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 6ald h VAL 212 CO 0.07 0.00 -0.19 1.88 0.02 0.00 0.00 177.57 179.35 6ald h TYR 213 N -0.14 0.00 -0.26 1.57 0.05 -1.46 -1.48 116.97 115.26 6ald h TYR 213 Ca 0.02 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.63 6ald h TYR 213 Cb 0.17 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.91 6ald h TYR 213 CO -0.13 0.19 -0.55 -0.22 -1.05 0.00 0.00 178.16 176.40 6ald h LYS 214 N 0.00 0.78 -0.24 4.88 1.63 -1.19 -1.83 116.57 120.60 6ald h LYS 214 Ca -0.00 -0.49 -0.04 0.00 -0.85 0.00 0.00 60.65 59.26 6ald h LYS 214 Cb 0.78 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.46 6ald h LYS 214 CO 0.02 1.12 -0.02 0.00 -3.45 0.00 0.00 179.45 177.12 6ald h ALA 215 N 0.78 0.32 -0.75 5.00 0.00 -1.07 -1.17 119.26 122.37 6ald h ALA 215 Ca 0.01 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.79 6ald h ALA 215 Cb 1.14 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 6ald h ALA 215 CO 0.12 0.07 0.49 -0.07 0.00 0.00 0.00 179.25 179.87 6ald h LEU 216 N 0.19 0.56 -0.17 0.00 4.07 -1.20 -0.46 115.31 118.31 6ald h LEU 216 Ca 0.06 0.02 -0.16 0.00 0.08 0.00 0.00 57.88 57.88 6ald h LEU 216 Cb 0.45 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.09 6ald h LEU 216 CO 0.02 0.33 -0.52 -1.28 -1.08 0.00 0.00 178.44 175.90 6ald h SER 217 N 0.62 0.75 -0.56 -0.43 0.87 -0.97 -0.86 113.55 112.96 6ald h SER 217 Ca 0.35 -0.60 -0.01 0.00 -1.23 0.00 0.00 61.79 60.31 6ald h SER 217 Cb 0.53 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 6ald h SER 217 CO -0.13 1.21 0.33 0.44 -0.53 0.00 0.00 176.83 178.16 6ald h ASP 218 N 0.32 0.69 -0.31 6.23 3.32 0.00 -1.60 116.42 125.07 6ald h ASP 218 Ca -0.02 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.99 6ald h ASP 218 Cb 1.15 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.52 6ald h ASP 218 CO 0.11 0.54 0.00 1.41 -1.72 0.00 0.00 179.24 179.58 6ald n HIS 219 N -4.41 0.56 -3.79 4.55 8.25 -0.30 -4.93 115.22 115.14 6ald n HIS 219 Ca 0.05 -0.24 -0.26 0.00 -0.26 0.00 0.00 57.72 57.01 6ald n HIS 219 Cb 0.08 -0.07 0.04 0.00 1.12 0.00 0.00 29.99 31.16 6ald n HIS 219 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 6ald n HIS 220 N 0.42 -2.25 -3.25 4.41 -0.00 -0.60 -4.90 115.22 109.05 6ald n HIS 220 Ca 0.11 0.90 -0.38 0.00 -0.00 0.00 0.00 57.72 58.35 6ald n HIS 220 Cb 0.37 -4.28 -0.06 0.00 -0.00 0.00 0.00 29.99 26.02 6ald n HIS 220 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 6ald s ILE 221 N -3.42 4.71 -0.72 1.59 -4.36 -0.34 -4.89 121.20 113.75 6ald s ILE 221 Ca 0.42 1.25 -0.27 0.00 -0.26 0.00 0.00 60.65 61.80 6ald s ILE 221 Cb -0.21 -3.91 0.01 0.00 1.25 0.00 0.00 42.46 39.60 6ald s ILE 221 CO 0.81 0.53 1.50 -0.47 0.24 0.00 0.00 174.94 177.55 6ald s TYR 222 N -1.14 2.08 0.25 1.37 5.04 -1.26 -4.82 117.35 118.87 6ald s TYR 222 Ca 0.30 0.19 -0.03 0.00 -2.44 0.00 0.00 57.07 55.09 6ald s TYR 222 Cb -0.20 -4.44 0.44 0.00 0.35 0.00 0.00 41.96 38.11 6ald s TYR 222 CO 0.20 -2.13 1.80 -0.07 -1.34 0.00 0.00 175.55 174.00 6ald h LEU 223 N 14.25 0.64 -1.95 6.97 4.07 -1.95 -0.66 115.31 136.68 6ald h LEU 223 Ca -0.23 0.06 0.06 0.00 0.08 0.00 0.00 57.88 57.85 6ald h LEU 223 Cb 1.08 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 6ald h LEU 223 CO 1.27 0.34 0.16 -0.33 -1.08 0.00 0.00 178.44 178.80 6ald h GLU 224 N 0.74 0.06 -1.10 1.13 3.07 -1.90 -1.06 114.58 115.52 6ald h GLU 224 Ca 0.42 -0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.82 6ald h GLU 224 Cb 0.45 -0.01 -0.23 0.00 -0.84 0.00 0.00 28.75 28.11 6ald h GLU 224 CO -0.28 0.04 0.58 0.41 -1.40 0.00 0.00 179.01 178.36 6ald n GLY 225 N -1.57 4.42 3.20 -3.84 0.00 -0.26 -4.39 105.19 102.76 6ald n GLY 225 Ca 0.02 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 6ald n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 6ald s THR 226 N -3.03 0.06 0.13 2.61 -4.23 -0.40 -3.94 115.64 106.84 6ald s THR 226 Ca 0.46 -1.89 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 6ald s THR 226 Cb 0.38 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 6ald s THR 226 CO 0.04 -0.26 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.08 6ald s LEU 227 N -3.08 2.27 -0.10 4.79 1.02 -1.01 -3.74 118.68 118.82 6ald s LEU 227 Ca 0.29 -1.10 0.02 0.00 0.02 0.00 0.00 54.13 53.36 6ald s LEU 227 Cb 0.07 -0.03 0.01 0.00 0.02 0.00 0.00 46.19 46.26 6ald s LEU 227 CO 0.06 -0.54 -0.16 -0.22 0.02 0.00 0.00 176.35 175.51 6ald s LEU 228 N -3.10 1.79 -0.77 1.79 2.96 -0.63 -1.29 118.68 119.43 6ald s LEU 228 Ca 0.18 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 6ald s LEU 228 Cb 0.06 -1.11 0.19 0.00 0.50 0.00 0.00 46.19 45.83 6ald s LEU 228 CO -0.00 0.05 0.60 -0.75 -1.32 0.00 0.00 176.35 174.92 6ald s LYS 229 N 0.80 2.80 0.46 1.98 2.20 0.11 0.08 119.74 128.18 6ald s LYS 229 Ca -0.10 -3.17 0.08 0.00 -0.36 0.00 0.00 55.97 52.42 6ald s LYS 229 Cb -0.16 -3.69 0.03 0.00 -1.51 0.00 0.00 37.83 32.50 6ald s LYS 229 CO 0.01 -1.25 0.63 -1.25 -0.36 0.00 0.00 175.35 173.14 6ald s PRO 230 N -1.16 2.69 0.33 4.03 0.04 -1.26 -3.67 135.00 136.01 6ald s PRO 230 Ca 0.24 -1.27 -0.15 0.00 0.04 0.00 0.00 61.00 59.86 6ald s PRO 230 Cb -0.09 -2.71 -0.09 0.00 0.04 0.00 0.00 34.50 31.65 6ald s PRO 230 CO -0.12 -0.43 0.74 0.54 0.04 0.00 0.00 177.00 177.77 6ald s ASN 231 N -4.42 6.76 0.72 6.66 4.22 -1.26 -2.33 114.94 125.29 6ald s ASN 231 Ca 0.57 1.28 -0.11 0.00 -2.14 0.00 0.00 52.86 52.46 6ald s ASN 231 Cb -0.09 -2.37 0.02 0.00 1.28 0.00 0.00 41.25 40.09 6ald s ASN 231 CO 0.35 -0.22 1.07 -0.04 -2.04 0.00 0.00 177.10 176.22 6ald s MET 232 N -3.03 2.74 -0.37 3.55 -1.94 -1.26 -4.95 119.30 114.04 6ald s MET 232 Ca 0.54 0.89 -0.23 0.00 -1.71 0.00 0.00 55.69 55.18 6ald s MET 232 Cb -0.10 -1.97 0.01 0.00 2.01 0.00 0.00 34.83 34.78 6ald s MET 232 CO 0.18 -1.22 0.77 0.08 -0.01 0.00 0.00 175.02 174.81 6ald s VAL 233 N -3.07 4.74 0.17 -6.03 1.01 -1.26 -5.01 120.40 110.95 6ald s VAL 233 Ca 0.59 0.80 -0.06 0.00 0.00 0.00 0.00 61.98 63.30 6ald s VAL 233 Cb -0.14 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 6ald s VAL 233 CO 0.55 -0.45 0.22 0.42 0.00 0.00 0.00 175.10 175.84 6ald s THR 234 N 3.07 0.06 0.77 3.92 -4.23 -1.26 -4.57 115.64 113.41 6ald s THR 234 Ca 0.30 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 59.11 6ald s THR 234 Cb -0.13 -1.99 0.06 0.00 1.34 0.00 0.00 72.50 71.77 6ald s THR 234 CO 0.17 -0.29 1.10 -2.16 -0.54 0.00 0.00 174.62 172.90 6ald s PRO 235 N -4.01 2.28 0.82 3.99 0.04 -1.26 -4.56 135.00 132.29 6ald s PRO 235 Ca 0.22 0.61 -0.13 0.00 0.04 0.00 0.00 61.00 61.73 6ald s PRO 235 Cb 0.04 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.72 6ald s PRO 235 CO 0.02 -1.48 1.11 0.41 0.04 0.00 0.00 177.00 177.11 6ald n GLY 236 N -2.30 -0.23 0.33 0.56 0.00 0.56 -4.85 105.19 99.27 6ald n GLY 236 Ca 0.07 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.66 6ald n GLY 236 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 6ald h HIS 237 N -0.96 0.51 -0.41 1.61 3.86 0.28 -0.79 115.15 119.25 6ald h HIS 237 Ca -0.46 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 6ald h HIS 237 Cb 1.30 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.60 6ald h HIS 237 CO 0.45 0.29 0.00 0.00 0.86 0.00 0.00 177.93 179.53 6ald n ALA 238 N -2.49 2.44 -1.75 2.45 0.00 0.34 -4.96 120.51 116.54 6ald n ALA 238 Ca 0.06 -0.85 -0.41 0.00 0.00 0.00 0.00 53.44 52.24 6ald n ALA 238 Cb 0.19 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.68 6ald n ALA 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 6ald h THR 240 N 2.64 1.16 -3.76 0.00 2.02 -1.89 -3.46 112.91 109.62 6ald h THR 240 Ca -0.49 -2.77 -0.51 0.00 0.77 0.00 0.00 66.41 63.41 6ald h THR 240 Cb 1.26 2.80 0.03 0.00 -1.74 0.00 0.00 68.15 70.51 6ald h THR 240 CO 0.63 0.83 0.54 -1.58 0.37 0.00 0.00 175.52 176.31 6ald s GLN 241 N -2.61 4.52 -0.02 6.66 0.74 -1.26 -5.04 119.66 122.65 6ald s GLN 241 Ca -0.10 1.95 -0.04 0.00 0.05 0.00 0.00 55.36 57.22 6ald s GLN 241 Cb 0.06 -3.16 -0.04 0.00 1.10 0.00 0.00 33.01 30.97 6ald s GLN 241 CO 0.87 0.03 0.20 0.15 -0.55 0.00 0.00 175.29 175.98 6ald s LYS 242 N -1.29 3.47 0.11 1.67 3.01 -1.26 -5.02 119.74 120.43 6ald s LYS 242 Ca 0.48 -0.23 0.04 0.00 -1.01 0.00 0.00 55.97 55.25 6ald s LYS 242 Cb -0.35 -3.11 -0.04 0.00 -1.01 0.00 0.00 37.83 33.33 6ald s LYS 242 CO 0.44 0.69 -0.11 0.71 0.51 0.00 0.00 175.35 177.58 6ald s TYR 243 N -1.27 1.18 0.56 3.18 1.51 -1.26 -5.15 117.35 116.10 6ald s TYR 243 Ca 0.25 -0.63 -0.02 0.00 -1.01 0.00 0.00 57.07 55.67 6ald s TYR 243 Cb -0.13 -0.63 0.02 0.00 -0.11 0.00 0.00 41.96 41.12 6ald s TYR 243 CO 0.16 0.05 0.81 -1.54 -1.11 0.00 0.00 175.55 173.92 6ald s SER 244 N -2.48 5.39 0.46 2.29 1.04 -1.26 -4.96 113.70 114.17 6ald s SER 244 Ca 0.07 0.27 0.20 0.00 0.48 0.00 0.00 55.95 56.97 6ald s SER 244 Cb -0.03 -1.22 1.13 0.00 0.10 0.00 0.00 66.02 66.00 6ald s SER 244 CO 0.01 -1.10 1.98 0.45 0.98 0.00 0.00 173.24 175.56 6ald h HIS 245 N -0.01 0.00 -0.01 5.02 3.86 -1.99 -2.12 115.15 119.90 6ald h HIS 245 Ca -0.44 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.57 6ald h HIS 245 Cb 1.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.75 6ald h HIS 245 CO 0.40 0.20 -0.86 0.93 0.86 0.00 0.00 177.93 179.46 6ald h GLU 246 N 0.00 0.32 -0.28 2.45 4.39 -1.94 -2.25 114.58 117.26 6ald h GLU 246 Ca -0.00 -0.32 -0.05 0.00 0.34 0.00 0.00 59.36 59.32 6ald h GLU 246 Cb 0.44 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 6ald h GLU 246 CO 0.03 1.01 -0.03 0.93 -1.16 0.00 0.00 179.01 179.78 6ald h GLU 247 N 0.19 0.52 0.00 2.33 5.08 -1.78 -0.09 114.58 120.84 6ald h GLU 247 Ca -0.05 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 6ald h GLU 247 Cb 1.48 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 6ald h GLU 247 CO 0.14 0.69 -0.34 -0.84 -1.00 0.00 0.00 179.01 177.67 6ald h ILE 248 N 0.30 0.75 -0.25 3.13 -0.00 -1.52 -1.47 117.51 118.45 6ald h ILE 248 Ca 0.08 -1.48 -0.19 0.00 -0.00 0.00 0.00 64.86 63.27 6ald h ILE 248 Cb 0.48 1.95 0.00 0.00 -0.00 0.00 0.00 36.82 39.25 6ald h ILE 248 CO 0.02 0.33 -0.60 0.00 -0.00 0.00 0.00 178.15 177.90 6ald h ALA 249 N 1.66 0.46 -0.19 0.16 0.00 -1.13 -0.73 119.26 119.49 6ald h ALA 249 Ca -0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 6ald h ALA 249 Cb 0.92 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 6ald h ALA 249 CO 0.04 0.69 -0.44 1.98 0.00 0.00 0.00 179.25 181.52 6ald h MET 250 N 0.61 0.63 -0.67 0.00 1.85 -0.86 -1.92 114.93 114.57 6ald h MET 250 Ca -0.00 -0.43 -0.04 0.00 -0.61 0.00 0.00 59.70 58.62 6ald h MET 250 Cb 1.21 0.06 -0.03 0.00 0.43 0.00 0.00 31.60 33.27 6ald h MET 250 CO 0.13 1.04 0.25 0.00 -0.40 0.00 0.00 176.91 177.93 6ald h ALA 251 N 0.59 1.17 0.45 0.39 0.00 -1.26 -0.84 119.26 119.75 6ald h ALA 251 Ca -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 6ald h ALA 251 Cb 1.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.57 6ald h ALA 251 CO 0.10 0.59 -0.21 1.15 0.00 0.00 0.00 179.25 180.87 6ald h THR 252 N 0.98 0.39 -0.93 0.00 2.02 -1.08 -1.59 112.91 112.70 6ald h THR 252 Ca 0.23 -0.53 0.04 0.00 0.77 0.00 0.00 66.41 66.92 6ald h THR 252 Cb 0.22 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 6ald h THR 252 CO -0.02 0.07 0.61 0.58 0.37 0.00 0.00 175.52 177.13 6ald h VAL 253 N -0.97 1.13 0.29 3.16 2.07 -1.34 -1.37 116.25 119.22 6ald h VAL 253 Ca -0.06 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 6ald h VAL 253 Cb 0.57 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 6ald h VAL 253 CO 0.10 0.21 -0.14 0.74 0.02 0.00 0.00 177.57 178.50 6ald h THR 254 N 1.14 0.75 -0.65 2.57 2.02 -1.17 0.28 112.91 117.84 6ald h THR 254 Ca 0.38 -0.27 0.10 0.00 0.77 0.00 0.00 66.41 67.39 6ald h THR 254 Cb 0.06 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 6ald h THR 254 CO -0.12 0.06 0.43 0.00 0.37 0.00 0.00 175.52 176.26 6ald h ALA 255 N 0.14 1.97 0.06 6.16 0.00 -0.94 -1.73 119.26 124.92 6ald h ALA 255 Ca -0.04 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.58 6ald h ALA 255 Cb 0.39 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.11 6ald h ALA 255 CO 0.07 -0.11 -1.13 -0.07 0.00 0.00 0.00 179.25 178.00 6ald h LEU 256 N 0.48 0.84 -1.62 0.00 3.38 -0.95 -3.26 115.31 114.17 6ald h LEU 256 Ca 0.30 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 6ald h LEU 256 Cb 0.54 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 6ald h LEU 256 CO -0.09 1.53 0.15 0.03 0.09 0.00 0.00 178.44 180.15 6ald h ARG 257 N 0.32 0.40 -0.55 1.13 3.08 0.45 0.15 114.38 119.36 6ald h ARG 257 Ca -0.15 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.86 6ald h ARG 257 Cb 1.79 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.76 6ald h ARG 257 CO 0.22 0.31 0.00 2.89 -1.07 0.00 0.00 179.97 182.31 6ald n ARG 258 N -4.45 2.33 0.00 0.04 1.85 -0.95 -4.56 116.66 110.93 6ald n ARG 258 Ca 0.01 -2.07 0.00 0.00 -1.00 0.00 0.00 57.85 54.80 6ald n ARG 258 Cb 0.10 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 6ald n ARG 258 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 6ald n THR 259 N 1.19 0.00 -3.02 8.89 -2.24 -0.94 -4.98 114.28 113.18 6ald n THR 259 Ca 0.19 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.55 6ald n THR 259 Cb 0.49 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 6ald n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 6ald s VAL 260 N -1.07 4.73 0.47 2.28 1.01 0.49 -4.78 120.40 123.53 6ald s VAL 260 Ca 0.00 0.45 -0.24 0.00 0.00 0.00 0.00 61.98 62.18 6ald s VAL 260 Cb 0.00 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 6ald s VAL 260 CO 0.00 -0.59 1.35 -2.65 0.00 0.00 0.00 175.10 173.20 6ald n PRO 261 N 6.48 1.98 0.33 2.72 -0.02 -1.26 -4.81 135.00 140.42 6ald n PRO 261 Ca 0.01 0.71 0.21 0.00 -2.02 0.00 0.00 63.50 62.41 6ald n PRO 261 Cb 0.48 -2.52 1.13 0.00 -0.02 0.00 0.00 33.50 32.57 6ald n PRO 261 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 6ald h PRO 262 N 1.97 0.00 0.00 0.52 0.13 -1.96 -1.90 132.00 130.77 6ald h PRO 262 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 6ald h PRO 262 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 6ald h PRO 262 CO 0.59 0.00 -0.14 0.00 -0.23 0.00 0.00 178.00 178.22 6ald h ALA 263 N 1.87 1.49 -2.29 -0.56 0.00 -1.90 -3.42 119.26 114.45 6ald h ALA 263 Ca 0.00 -0.13 -0.54 0.00 0.00 0.00 0.00 54.91 54.24 6ald h ALA 263 Cb 0.14 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.92 6ald h ALA 263 CO -0.00 0.18 1.26 0.08 0.00 0.00 0.00 179.25 180.77 6ald s VAL 264 N -4.43 3.07 0.33 0.00 1.01 -0.72 -3.56 120.40 116.11 6ald s VAL 264 Ca -0.03 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.08 6ald s VAL 264 Cb 0.14 -3.06 0.30 0.00 0.00 0.00 0.00 36.38 33.76 6ald s VAL 264 CO 0.64 -0.01 1.89 0.74 0.00 0.00 0.00 175.10 178.35 6ald h THR 265 N 5.84 0.93 -1.99 3.92 2.02 -1.69 -3.43 112.91 118.52 6ald h THR 265 Ca -0.47 -0.29 0.20 0.00 0.77 0.00 0.00 66.41 66.62 6ald h THR 265 Cb 1.23 0.02 -0.13 0.00 -1.74 0.00 0.00 68.15 67.53 6ald h THR 265 CO 0.95 0.15 0.62 -0.83 0.37 0.00 0.00 175.52 176.77 6ald s GLY 266 N -3.56 -0.35 -0.17 2.16 0.00 -1.26 -3.41 107.32 100.73 6ald s GLY 266 Ca -0.11 0.75 0.01 0.00 0.00 0.00 0.00 44.72 45.37 6ald s GLY 266 CO 0.79 0.21 -0.13 0.14 0.00 0.00 0.00 173.10 174.12 6ald s VAL 267 N -2.91 1.62 -0.58 1.40 1.01 0.13 -1.61 120.40 119.47 6ald s VAL 267 Ca 0.10 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 6ald s VAL 267 Cb 0.00 -1.60 0.15 0.00 0.00 0.00 0.00 36.38 34.93 6ald s VAL 267 CO -0.03 0.33 0.41 0.42 0.00 0.00 0.00 175.10 176.23 6ald s THR 268 N 1.44 3.90 0.63 3.92 -4.23 0.11 -0.94 115.64 120.47 6ald s THR 268 Ca 0.02 -2.55 -0.18 0.00 -1.18 0.00 0.00 61.69 57.79 6ald s THR 268 Cb -0.14 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 6ald s THR 268 CO -0.10 -0.84 1.19 0.49 -0.54 0.00 0.00 174.62 174.83 6ald n PHE 269 N 3.97 1.60 -4.02 3.99 3.72 -0.75 -4.18 117.46 121.79 6ald n PHE 269 Ca 0.04 0.43 -0.35 0.00 -0.05 0.00 0.00 57.45 57.52 6ald n PHE 269 Cb 0.40 -2.23 -0.07 0.00 -0.94 0.00 0.00 39.48 36.64 6ald n PHE 269 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 6ald s LEU 270 N -3.52 4.14 0.42 4.37 0.05 -0.98 -1.34 118.68 121.82 6ald s LEU 270 Ca 0.80 0.32 0.23 0.00 0.05 0.00 0.00 54.13 55.52 6ald s LEU 270 Cb -0.40 -2.18 0.78 0.00 -2.05 0.00 0.00 46.19 42.35 6ald s LEU 270 CO 0.43 0.35 1.76 0.77 -0.55 0.00 0.00 176.35 179.11 6ald h SER 271 N 4.59 0.00 -6.72 1.48 4.64 -1.92 -3.39 113.55 112.23 6ald h SER 271 Ca -0.52 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.38 6ald h SER 271 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 6ald h SER 271 CO 0.60 0.24 -0.83 0.61 -0.87 0.00 0.00 176.83 176.59 6ald n GLY 272 N 0.36 -0.84 2.20 -0.77 0.00 -1.26 -1.21 105.19 103.67 6ald n GLY 272 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.39 6ald n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6ald n GLY 273 N -1.61 0.45 3.81 -0.02 0.00 -1.26 -4.87 105.19 101.69 6ald n GLY 273 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 6ald n GLY 273 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 6ald s GLN 274 N -0.29 4.28 0.91 1.61 -0.21 -0.35 -5.05 119.66 120.57 6ald s GLN 274 Ca 0.00 0.88 -0.11 0.00 0.02 0.00 0.00 55.36 56.16 6ald s GLN 274 Cb 0.00 -2.98 0.14 0.00 1.00 0.00 0.00 33.01 31.16 6ald s GLN 274 CO 0.00 0.45 1.11 -1.54 -2.12 0.00 0.00 175.29 173.19 6ald s SER 275 N -1.51 3.16 0.15 5.90 1.04 -1.26 -4.58 113.70 116.59 6ald s SER 275 Ca 0.40 1.91 -0.18 0.00 0.48 0.00 0.00 55.95 58.56 6ald s SER 275 Cb -0.18 -2.47 0.03 0.00 0.10 0.00 0.00 66.02 63.51 6ald s SER 275 CO 0.22 -2.90 1.71 -0.33 0.98 0.00 0.00 173.24 172.91 6ald h GLU 276 N -1.73 0.07 0.03 4.02 5.08 -1.88 -0.27 114.58 119.90 6ald h GLU 276 Ca -0.46 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 6ald h GLU 276 Cb 1.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.50 6ald h GLU 276 CO 0.47 0.05 -0.01 1.49 -1.00 0.00 0.00 179.01 180.01 6ald h GLU 277 N 0.07 -0.03 -0.47 2.33 4.57 -1.91 -2.73 114.58 116.41 6ald h GLU 277 Ca 0.14 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.42 6ald h GLU 277 Cb 0.19 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.70 6ald h GLU 277 CO -0.24 0.18 -0.08 1.49 -1.18 0.00 0.00 179.01 179.18 6ald h GLU 278 N -0.24 0.03 -0.10 1.92 4.81 -1.85 -0.38 114.58 118.77 6ald h GLU 278 Ca -0.00 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 6ald h GLU 278 Cb 0.23 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 6ald h GLU 278 CO 0.01 0.02 -0.16 0.00 -0.73 0.00 0.00 179.01 178.14 6ald h ALA 279 N 1.45 1.54 -0.06 2.92 0.00 -1.04 -1.79 119.26 122.29 6ald h ALA 279 Ca 0.23 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 6ald h ALA 279 Cb 0.35 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.08 6ald h ALA 279 CO -0.45 0.33 -0.36 0.77 0.00 0.00 0.00 179.25 179.53 6ald h SER 280 N 0.15 0.42 -0.48 0.00 0.02 -0.94 -2.46 113.55 110.27 6ald h SER 280 Ca 0.03 -0.67 -0.02 0.00 -0.84 0.00 0.00 61.79 60.29 6ald h SER 280 Cb 0.39 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 6ald h SER 280 CO 0.02 1.03 0.20 0.40 -1.14 0.00 0.00 176.83 177.34 6ald h ILE 281 N -0.15 1.20 -0.67 3.27 2.04 -0.99 -1.48 117.51 120.74 6ald h ILE 281 Ca -0.03 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 6ald h ILE 281 Cb 1.03 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 6ald h ILE 281 CO 0.07 0.23 0.33 0.78 0.00 0.00 0.00 178.15 179.56 6ald h ASN 282 N 0.63 0.87 -0.32 1.72 2.35 -1.40 0.13 115.58 119.57 6ald h ASN 282 Ca 0.16 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 6ald h ASN 282 Cb 0.17 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 6ald h ASN 282 CO -0.02 0.76 0.08 0.25 -1.65 0.00 0.00 177.43 176.85 6ald h LEU 283 N 0.93 0.54 -0.03 1.61 6.46 -1.24 -0.02 115.31 123.56 6ald h LEU 283 Ca 0.23 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 6ald h LEU 283 Cb 0.11 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.90 6ald h LEU 283 CO -0.03 0.56 -0.02 -1.13 -0.62 0.00 0.00 178.44 177.20 6ald h ASN 284 N 0.58 0.07 -0.39 1.25 -1.24 -0.45 -2.22 115.58 113.19 6ald h ASN 284 Ca 0.13 -0.44 0.06 0.00 0.71 0.00 0.00 56.30 56.76 6ald h ASN 284 Cb 0.24 -0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.22 6ald h ASN 284 CO -0.00 0.50 0.06 0.00 -1.29 0.00 0.00 177.43 176.70 6ald h ALA 285 N 0.58 0.40 -0.59 1.57 0.00 -0.42 -0.26 119.26 120.55 6ald h ALA 285 Ca 0.01 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.09 6ald h ALA 285 Cb 0.47 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 6ald h ALA 285 CO 0.01 -0.34 0.19 0.82 0.00 0.00 0.00 179.25 179.93 6ald h ILE 286 N 0.18 0.75 0.00 0.00 2.04 -0.97 0.23 117.51 119.74 6ald h ILE 286 Ca 0.19 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.92 6ald h ILE 286 Cb 0.23 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 6ald h ILE 286 CO -0.26 0.07 0.00 0.59 0.00 0.00 0.00 178.15 178.55 6ald n ASN 287 N -5.03 0.37 0.07 1.72 3.02 -0.75 -2.46 115.26 112.20 6ald n ASN 287 Ca 0.08 0.56 0.11 0.00 -0.03 0.00 0.00 54.58 55.31 6ald n ASN 287 Cb 0.28 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 38.77 6ald n ASN 287 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 6ald n LYS 288 N -1.88 0.55 -1.61 3.52 4.76 0.59 -4.73 118.16 119.36 6ald n LYS 288 Ca 0.04 0.04 -0.53 0.00 -2.87 0.00 0.00 58.31 54.99 6ald n LYS 288 Cb 0.28 -1.72 -0.06 0.00 -1.84 0.00 0.00 35.03 31.69 6ald n LYS 288 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 6ald h PRO 290 N 5.09 0.00 -7.08 0.00 0.13 -1.91 -3.45 132.00 124.79 6ald h PRO 290 Ca -0.47 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.19 6ald h PRO 290 Cb 1.33 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.68 6ald h PRO 290 CO 0.81 0.02 -0.13 1.28 -0.23 0.00 0.00 178.00 179.75 6ald n LEU 291 N -3.81 -0.26 -4.68 1.56 4.77 -1.26 -4.96 117.00 108.35 6ald n LEU 291 Ca -0.03 0.02 -0.40 0.00 -0.03 0.00 0.00 56.01 55.57 6ald n LEU 291 Cb 0.11 -1.27 -0.05 0.00 -2.33 0.00 0.00 43.42 39.87 6ald n LEU 291 CO 0.28 -3.01 0.46 -0.22 -1.33 0.00 0.00 177.39 173.57 6ald s LEU 292 N -5.90 4.21 -0.33 2.23 0.20 -1.26 -5.04 118.68 112.79 6ald s LEU 292 Ca 0.66 1.06 0.01 0.00 0.69 0.00 0.00 54.13 56.55 6ald s LEU 292 Cb -0.23 -3.07 0.09 0.00 -0.43 0.00 0.00 46.19 42.55 6ald s LEU 292 CO 0.64 -0.27 0.04 -0.54 -0.29 0.00 0.00 176.35 175.93 6ald s LYS 293 N 1.63 1.92 0.00 1.98 3.01 -1.26 -4.98 119.74 122.04 6ald s LYS 293 Ca 0.35 -1.65 0.20 0.00 -1.01 0.00 0.00 55.97 53.86 6ald s LYS 293 Cb -0.17 -3.22 1.18 0.00 -1.01 0.00 0.00 37.83 34.62 6ald s LYS 293 CO 0.13 -0.84 1.68 -0.35 0.51 0.00 0.00 175.35 176.49 6ald n PRO 294 N 4.43 0.87 -4.17 -1.68 -0.04 -1.26 -4.82 135.00 128.32 6ald n PRO 294 Ca -0.04 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.30 6ald n PRO 294 Cb 0.42 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 6ald n PRO 294 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 6ald s TRP 295 N -2.00 0.97 0.29 0.54 0.51 -1.26 -4.89 118.94 113.10 6ald s TRP 295 Ca 0.30 -0.78 -0.29 0.00 -2.12 0.00 0.00 56.10 53.20 6ald s TRP 295 Cb 0.14 -0.54 -0.10 0.00 -0.81 0.00 0.00 33.47 32.15 6ald s TRP 295 CO 0.23 -0.07 1.41 0.00 -0.51 0.00 0.00 176.95 178.01 6ald s ALA 296 N -3.06 3.58 -0.74 0.98 0.00 -1.22 -4.83 121.76 116.47 6ald s ALA 296 Ca 0.09 1.35 0.03 0.00 0.00 0.00 0.00 51.96 53.42 6ald s ALA 296 Cb 0.01 -3.54 0.18 0.00 0.00 0.00 0.00 23.12 19.77 6ald s ALA 296 CO -0.02 -0.76 0.56 -0.51 0.00 0.00 0.00 175.76 175.03 6ald s LEU 297 N -1.03 5.01 0.00 0.00 1.02 -1.26 0.22 118.68 122.63 6ald s LEU 297 Ca 0.55 -3.77 0.00 0.00 0.02 0.00 0.00 54.13 50.94 6ald s LEU 297 Cb -0.42 -1.71 0.00 0.00 0.02 0.00 0.00 46.19 44.08 6ald s LEU 297 CO 0.49 -0.12 0.00 1.07 0.02 0.00 0.00 176.35 177.81 6ald n THR 298 N 2.14 0.00 -4.36 5.49 5.66 -0.12 -4.66 114.28 118.44 6ald n THR 298 Ca 0.19 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.96 6ald n THR 298 Cb 0.35 -0.39 -0.08 0.00 -1.55 0.00 0.00 70.33 68.66 6ald n THR 298 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 6ald s PHE 299 N 1.09 2.55 -0.42 1.09 -0.71 -1.26 -1.82 117.98 118.50 6ald s PHE 299 Ca 0.00 -0.27 0.08 0.00 -1.04 0.00 0.00 56.93 55.70 6ald s PHE 299 Cb 0.00 -1.13 0.31 0.00 -1.21 0.00 0.00 43.02 40.99 6ald s PHE 299 CO 0.00 0.65 0.89 0.45 -1.34 0.00 0.00 175.22 175.87 6ald n SER 300 N -0.80 -1.04 -4.91 1.98 2.88 -0.45 -0.08 113.62 111.19 6ald n SER 300 Ca -0.06 -3.31 -0.27 0.00 -1.33 0.00 0.00 58.87 53.91 6ald n SER 300 Cb 0.59 0.76 -0.01 0.00 -0.75 0.00 0.00 64.21 64.81 6ald n SER 300 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 6ald s TYR 301 N -0.78 3.54 0.00 0.66 2.02 -1.01 -4.52 117.35 117.27 6ald s TYR 301 Ca 0.31 0.69 0.00 0.00 -0.37 0.00 0.00 57.07 57.70 6ald s TYR 301 Cb 0.29 -2.19 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 6ald s TYR 301 CO -0.09 -0.14 0.00 0.41 -1.57 0.00 0.00 175.55 174.15 6ald n GLY 302 N -2.03 0.16 0.34 0.71 0.00 -1.26 0.50 105.19 103.62 6ald n GLY 302 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 6ald n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 6ald h ARG 303 N 0.00 1.20 0.00 1.61 3.08 -1.96 0.19 114.38 118.50 6ald h ARG 303 Ca 0.00 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.84 6ald h ARG 303 Cb 0.00 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.85 6ald h ARG 303 CO 0.00 0.96 0.00 0.00 -1.07 0.00 0.00 179.97 179.86 6ald n ALA 304 N -2.43 1.47 0.02 0.04 0.00 -1.26 0.06 120.51 118.41 6ald n ALA 304 Ca 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.49 6ald n ALA 304 Cb 0.18 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 6ald n ALA 304 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 6ald n LEU 305 N -1.36 0.03 -0.00 0.00 7.94 -0.58 -4.58 117.00 118.45 6ald n LEU 305 Ca 0.03 -0.13 0.01 0.00 -1.11 0.00 0.00 56.01 54.81 6ald n LEU 305 Cb 0.07 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.00 6ald n LEU 305 CO 0.06 0.01 -0.47 0.00 -1.11 0.00 0.00 177.39 175.87 6ald n GLN 306 N -1.43 0.76 -0.25 1.96 6.02 -0.05 -4.61 117.38 119.78 6ald n GLN 306 Ca -0.00 -0.02 -0.06 0.00 -0.01 0.00 0.00 57.00 56.90 6ald n GLN 306 Cb 0.05 -1.02 -0.06 0.00 1.02 0.00 0.00 30.24 30.23 6ald n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 6ald n ALA 307 N -1.54 -0.37 -0.23 -1.58 0.00 0.11 -0.77 120.51 116.12 6ald n ALA 307 Ca -0.00 0.50 -0.06 0.00 0.00 0.00 0.00 53.44 53.88 6ald n ALA 307 Cb 0.07 0.05 0.05 0.00 0.00 0.00 0.00 19.45 19.61 6ald n ALA 307 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 6ald h SER 308 N 0.00 0.77 0.31 0.00 0.02 -1.88 -2.65 113.55 110.12 6ald h SER 308 Ca 0.09 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 6ald h SER 308 Cb 0.24 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 6ald h SER 308 CO -0.55 0.58 -0.29 0.00 -1.14 0.00 0.00 176.83 175.44 6ald h ALA 309 N 1.22 -1.00 -0.97 3.77 0.00 -1.25 0.64 119.26 121.67 6ald h ALA 309 Ca 0.24 -0.11 0.31 0.00 0.00 0.00 0.00 54.91 55.34 6ald h ALA 309 Cb -0.06 0.51 -0.15 0.00 0.00 0.00 0.00 17.79 18.08 6ald h ALA 309 CO -0.05 -1.01 0.45 1.25 0.00 0.00 0.00 179.25 179.89 6ald h LEU 310 N -0.58 0.30 -0.13 0.00 5.85 -0.94 0.19 115.31 119.99 6ald h LEU 310 Ca -0.04 0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 6ald h LEU 310 Cb 0.50 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 6ald h LEU 310 CO -0.02 -0.19 0.01 0.50 -0.34 0.00 0.00 178.44 178.40 6ald h LYS 311 N 0.24 0.22 0.00 1.25 3.64 -1.06 -1.75 116.57 119.10 6ald h LYS 311 Ca 0.69 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 60.01 6ald h LYS 311 Cb 1.56 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 6ald h LYS 311 CO -0.66 0.42 0.00 0.00 -2.27 0.00 0.00 179.45 176.95 6ald h ALA 312 N 0.78 1.00 0.01 5.00 0.00 0.16 -3.18 119.26 123.04 6ald h ALA 312 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 6ald h ALA 312 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 6ald h ALA 312 CO 0.00 0.00 -0.01 2.35 0.00 0.00 0.00 179.25 181.60 6ald h TRP 313 N 0.00 -0.02 0.00 0.00 7.01 -0.66 -3.40 115.95 118.88 6ald h TRP 313 Ca 0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 6ald h TRP 313 Cb 0.34 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 6ald h TRP 313 CO 0.00 -0.01 0.00 0.41 -2.79 0.00 0.00 178.44 176.05 6ald n GLY 314 N 1.78 0.16 0.13 2.65 0.00 -0.68 -2.17 105.19 107.05 6ald n GLY 314 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 6ald n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6ald n GLY 315 N -0.64 3.32 3.68 -0.02 0.00 -1.26 -4.80 105.19 105.47 6ald n GLY 315 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 6ald n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 6ald s LYS 316 N -0.66 4.28 0.45 1.61 -0.14 -0.92 -4.90 119.74 119.44 6ald s LYS 316 Ca 0.00 1.84 0.13 0.00 -1.36 0.00 0.00 55.97 56.58 6ald s LYS 316 Cb 0.00 -3.67 1.00 0.00 -1.68 0.00 0.00 37.83 33.48 6ald s LYS 316 CO 0.00 -0.61 2.01 0.87 -0.76 0.00 0.00 175.35 176.86 6ald h LYS 317 N 8.03 0.07 0.00 1.68 1.57 -1.96 -1.40 116.57 124.56 6ald h LYS 317 Ca -0.34 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 6ald h LYS 317 Cb 1.15 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.45 6ald h LYS 317 CO 0.92 0.20 0.00 1.05 -0.57 0.00 0.00 179.45 181.05 6ald h GLU 318 N 0.06 0.00 -0.31 3.15 9.09 -1.94 -2.36 114.58 122.28 6ald h GLU 318 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 6ald h GLU 318 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 6ald h GLU 318 CO 0.02 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.17 6ald n ASN 319 N -3.02 1.61 -0.08 3.06 3.02 -0.52 -4.47 115.26 114.85 6ald n ASN 319 Ca -0.01 -2.01 -0.07 0.00 -0.03 0.00 0.00 54.58 52.47 6ald n ASN 319 Cb 0.21 -0.20 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 6ald n ASN 319 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 6ald h LEU 320 N 1.73 -0.79 0.02 3.41 5.85 -1.56 -1.42 115.31 122.55 6ald h LEU 320 Ca 0.00 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 6ald h LEU 320 Cb 0.41 0.39 0.00 0.00 0.37 0.00 0.00 40.66 41.83 6ald h LEU 320 CO 0.00 -0.27 -0.01 0.11 -0.34 0.00 0.00 178.44 177.94 6ald h LYS 321 N -0.21 -0.02 -0.88 1.25 6.56 -1.86 -1.61 116.57 119.80 6ald h LYS 321 Ca 0.16 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.83 6ald h LYS 321 Cb 0.46 0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 32.07 6ald h LYS 321 CO -0.45 0.09 0.57 0.00 -2.06 0.00 0.00 179.45 177.61 6ald h ALA 322 N 0.85 1.57 0.13 3.86 0.00 -1.83 -1.19 119.26 122.65 6ald h ALA 322 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 6ald h ALA 322 Cb 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.67 6ald h ALA 322 CO 0.00 0.29 -0.06 0.00 0.00 0.00 0.00 179.25 179.48 6ald h ALA 323 N 1.53 -0.18 -0.32 0.00 0.00 -1.08 -3.09 119.26 116.12 6ald h ALA 323 Ca 0.39 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.14 6ald h ALA 323 Cb 0.26 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 6ald h ALA 323 CO -0.15 -0.41 0.21 1.96 0.00 0.00 0.00 179.25 180.86 6ald h GLN 324 N -0.55 0.32 -0.60 0.00 4.20 -1.00 -1.95 115.11 115.53 6ald h GLN 324 Ca -0.02 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 6ald h GLN 324 Cb 0.43 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 6ald h GLN 324 CO 0.03 0.22 0.17 1.49 -0.67 0.00 0.00 178.83 180.07 6ald h GLU 325 N 0.33 0.91 -0.39 1.46 4.57 -1.17 -0.12 114.58 120.17 6ald h GLU 325 Ca 0.13 -0.18 -0.13 0.00 -1.18 0.00 0.00 59.36 58.00 6ald h GLU 325 Cb 0.10 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 6ald h GLU 325 CO -0.03 0.79 -0.27 0.93 -1.18 0.00 0.00 179.01 179.26 6ald h GLU 326 N 0.88 0.83 0.28 1.92 4.39 -1.28 -1.24 114.58 120.36 6ald h GLU 326 Ca 0.20 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 6ald h GLU 326 Cb 0.27 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 6ald h GLU 326 CO -0.01 1.00 -0.13 -0.92 -1.16 0.00 0.00 179.01 177.79 6ald h TYR 327 N 0.71 -0.35 -0.70 4.33 3.20 -1.20 -2.02 116.97 120.95 6ald h TYR 327 Ca 0.09 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.09 6ald h TYR 327 Cb 0.81 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 6ald h TYR 327 CO 0.05 -0.04 0.47 0.28 -1.64 0.00 0.00 178.16 177.27 6ald h VAL 328 N -0.66 0.79 0.14 1.81 2.07 -1.01 0.11 116.25 119.50 6ald h VAL 328 Ca -0.04 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 6ald h VAL 328 Cb 0.46 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 6ald h VAL 328 CO 0.06 0.06 -0.07 0.50 0.02 0.00 0.00 177.57 178.15 6ald h LYS 329 N 0.34 -0.18 -0.37 1.57 1.63 -0.87 -0.97 116.57 117.71 6ald h LYS 329 Ca 0.34 0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 60.03 6ald h LYS 329 Cb 0.86 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.51 6ald h LYS 329 CO -0.09 -0.05 -0.25 0.00 -3.45 0.00 0.00 179.45 175.60 6ald h ARG 330 N -0.26 0.76 -0.69 1.90 2.47 -0.44 -0.86 114.38 117.26 6ald h ARG 330 Ca -0.02 -0.32 -0.01 0.00 -1.26 0.00 0.00 59.98 58.37 6ald h ARG 330 Cb 0.21 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 6ald h ARG 330 CO 0.03 0.93 0.38 0.00 0.56 0.00 0.00 179.97 181.87 6ald h ALA 331 N 1.06 0.88 -0.46 0.04 0.00 -0.74 0.19 119.26 120.22 6ald h ALA 331 Ca 0.08 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 6ald h ALA 331 Cb 0.77 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 6ald h ALA 331 CO 0.06 0.39 -0.24 -0.07 0.00 0.00 0.00 179.25 179.40 6ald h LEU 332 N 0.94 0.99 -0.77 0.00 3.38 -1.03 -0.78 115.31 118.04 6ald h LEU 332 Ca 0.24 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 6ald h LEU 332 Cb 0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 6ald h LEU 332 CO -0.04 1.17 0.31 0.00 0.09 0.00 0.00 178.44 179.98 6ald h ALA 333 N 0.89 1.00 0.00 1.53 0.00 -0.55 -2.81 119.26 119.33 6ald h ALA 333 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 6ald h ALA 333 Cb 0.81 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.30 6ald h ALA 333 CO 0.07 0.62 -0.27 -0.91 0.00 0.00 0.00 179.25 178.75 6ald h ASN 334 N 1.11 0.00 0.20 0.00 2.35 -0.55 -2.70 115.58 115.99 6ald h ASN 334 Ca 0.26 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.84 6ald h ASN 334 Cb 0.21 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 6ald h ASN 334 CO -0.02 0.01 -0.58 -1.28 -1.65 0.00 0.00 177.43 173.91 6ald h SER 335 N 0.00 0.44 -0.04 5.81 0.87 -0.91 -2.18 113.55 117.54 6ald h SER 335 Ca 0.00 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 60.25 6ald h SER 335 Cb 0.95 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 6ald h SER 335 CO 0.00 0.92 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.91 6ald h LEU 336 N 0.30 0.28 -0.58 2.23 3.38 -1.50 -3.31 115.31 116.10 6ald h LEU 336 Ca -0.00 -0.69 0.10 0.00 0.09 0.00 0.00 57.88 57.38 6ald h LEU 336 Cb 1.10 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.69 6ald h LEU 336 CO 0.10 0.92 0.16 0.00 0.09 0.00 0.00 178.44 179.71 6ald h ALA 337 N 0.36 0.71 0.00 1.53 0.00 -1.44 0.41 119.26 120.84 6ald h ALA 337 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 6ald h ALA 337 Cb 0.92 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.83 6ald h ALA 337 CO 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.04 6ald n GLN 339 N -0.46 1.60 -1.71 0.00 6.02 0.12 -4.52 117.38 118.43 6ald n GLN 339 Ca 0.00 -0.11 -0.06 0.00 -0.01 0.00 0.00 57.00 56.82 6ald n GLN 339 Cb 0.01 -0.47 -0.01 0.00 1.02 0.00 0.00 30.24 30.78 6ald n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 6ald n GLY 340 N 0.26 0.43 0.19 1.08 0.00 0.71 -4.93 105.19 102.93 6ald n GLY 340 Ca 0.00 -0.70 0.08 0.00 0.00 0.00 0.00 46.02 45.40 6ald n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 6ald n LYS 341 N -2.11 1.85 -1.70 1.61 5.02 -0.48 -4.90 118.16 117.44 6ald n LYS 341 Ca -0.07 -2.42 -0.43 0.00 -2.02 0.00 0.00 58.31 53.37 6ald n LYS 341 Cb 0.40 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.93 6ald n LYS 341 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 6ald n TYR 342 N -1.09 2.47 -2.96 2.13 9.36 -1.25 -4.79 117.16 121.03 6ald n TYR 342 Ca 0.14 0.36 -0.14 0.00 3.32 0.00 0.00 57.90 61.58 6ald n TYR 342 Cb 0.60 -2.52 0.01 0.00 -0.63 0.00 0.00 39.34 36.81 6ald n TYR 342 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 6ald n THR 343 N 1.92 -0.19 0.87 2.97 -2.24 -1.26 -5.00 114.28 111.34 6ald n THR 343 Ca 0.10 -2.89 0.07 0.00 -2.27 0.00 0.00 64.05 59.06 6ald n THR 343 Cb 0.34 0.28 0.41 0.00 -2.10 0.00 0.00 70.33 69.27 6ald n THR 343 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69