#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nov h SER 2 N 0.00 0.00 -1.87 1.61 0.02 -2.05 -3.42 113.55 107.83 3nov h SER 2 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 3nov h SER 2 Cb 0.00 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.41 3nov h SER 2 CO 0.00 0.04 -0.64 -1.00 -1.14 0.00 0.00 176.83 174.09 3nov s HIS 3 N -3.79 2.43 -0.10 3.45 4.02 -1.26 -5.10 115.29 114.95 3nov s HIS 3 Ca -0.00 -0.60 -0.30 0.00 1.02 0.00 0.00 55.06 55.18 3nov s HIS 3 Cb 0.10 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.58 30.07 3nov s HIS 3 CO 0.54 0.50 1.42 1.41 1.02 0.00 0.00 174.74 179.63 3nov s MET 4 N -3.67 4.22 -0.44 1.40 -2.45 -1.26 -4.97 119.30 112.13 3nov s MET 4 Ca 0.34 1.89 -0.22 0.00 -1.25 0.00 0.00 55.69 56.45 3nov s MET 4 Cb 0.06 -3.82 0.02 0.00 1.25 0.00 0.00 34.83 32.34 3nov s MET 4 CO 0.17 -0.74 0.71 0.00 1.05 0.00 0.00 175.02 176.21 3nov s ALA 5 N 3.56 3.33 0.12 4.11 0.00 -1.26 -4.81 121.76 126.81 3nov s ALA 5 Ca 0.63 -1.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.21 3nov s ALA 5 Cb -0.27 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 3nov s ALA 5 CO 0.22 -1.82 1.28 0.08 0.00 0.00 0.00 175.76 175.52 3nov s VAL 6 N 3.05 3.58 -0.32 0.00 1.01 -1.26 -4.77 120.40 121.69 3nov s VAL 6 Ca 0.26 1.18 -0.15 0.00 0.00 0.00 0.00 61.98 63.27 3nov s VAL 6 Cb -0.13 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 3nov s VAL 6 CO 0.20 0.12 0.37 -1.10 0.00 0.00 0.00 175.10 174.69 3nov s GLN 7 N 0.72 3.72 -0.13 2.72 -1.52 -1.26 -1.20 119.66 122.71 3nov s GLN 7 Ca 0.60 -0.25 0.03 0.00 -1.95 0.00 0.00 55.36 53.78 3nov s GLN 7 Cb -0.34 -3.75 0.01 0.00 -0.22 0.00 0.00 33.01 28.71 3nov s GLN 7 CO 0.32 -0.44 -0.22 0.42 -0.25 0.00 0.00 175.29 175.12 3nov s ILE 8 N 2.06 2.12 -0.04 1.08 1.01 -0.35 -0.63 121.20 126.45 3nov s ILE 8 Ca 0.13 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.85 3nov s ILE 8 Cb -0.16 -1.84 -0.00 0.00 0.01 0.00 0.00 42.46 40.47 3nov s ILE 8 CO 0.11 0.55 -0.15 -0.83 0.00 0.00 0.00 174.94 174.62 3nov s GLY 9 N 0.68 0.80 -0.10 6.18 0.00 0.09 -0.19 107.32 114.79 3nov s GLY 9 Ca -0.10 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.04 3nov s GLY 9 CO 0.01 -0.30 -0.12 -1.36 0.00 0.00 0.00 173.10 171.33 3nov s PHE 10 N 0.05 2.80 -0.12 1.90 0.08 -0.34 -0.62 117.98 121.73 3nov s PHE 10 Ca -0.03 -0.37 -0.30 0.00 0.12 0.00 0.00 56.93 56.35 3nov s PHE 10 Cb -0.10 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.57 3nov s PHE 10 CO 0.01 -0.00 1.15 -1.17 -0.10 0.00 0.00 175.22 175.11 3nov s LEU 11 N -0.15 4.22 -0.29 -0.37 2.96 -0.70 -0.74 118.68 123.61 3nov s LEU 11 Ca -0.00 1.65 -0.04 0.00 -0.22 0.00 0.00 54.13 55.52 3nov s LEU 11 Cb -0.13 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.03 3nov s LEU 11 CO 0.03 -0.61 0.02 -0.22 -1.32 0.00 0.00 176.35 174.25 3nov s LEU 12 N 2.63 3.72 0.11 -0.68 2.96 -0.11 -4.41 118.68 122.89 3nov s LEU 12 Ca 0.52 -0.96 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3nov s LEU 12 Cb -0.21 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 3nov s LEU 12 CO 0.17 -0.21 -0.10 0.72 -1.32 0.00 0.00 176.35 175.61 3nov s PHE 13 N 1.37 1.08 0.26 5.38 -0.12 -1.26 -4.34 117.98 120.35 3nov s PHE 13 Ca -0.01 -0.70 -0.31 0.00 -0.05 0.00 0.00 56.93 55.87 3nov s PHE 13 Cb -0.18 -0.59 -0.13 0.00 -0.63 0.00 0.00 43.02 41.50 3nov s PHE 13 CO -0.01 0.00 1.45 -2.30 -0.05 0.00 0.00 175.22 174.31 3nov n PRO 14 N 0.38 2.21 -1.37 1.99 -0.02 -1.26 -1.68 135.00 135.25 3nov n PRO 14 Ca -0.15 0.78 -0.07 0.00 -2.02 0.00 0.00 63.50 62.04 3nov n PRO 14 Cb 0.58 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3nov n PRO 14 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3nov n GLU 15 N 1.96 -0.52 -1.81 -0.52 -0.58 0.02 -4.09 120.64 115.10 3nov n GLU 15 Ca 0.10 0.69 -0.38 0.00 -0.42 0.00 0.00 57.16 57.16 3nov n GLU 15 Cb 0.33 -4.51 0.05 0.00 -0.57 0.00 0.00 31.44 26.74 3nov n GLU 15 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3nov s VAL 16 N -2.28 2.14 -0.68 2.62 0.11 -0.68 -1.03 120.40 120.59 3nov s VAL 16 Ca 0.00 0.10 -0.27 0.00 -2.93 0.00 0.00 61.98 58.88 3nov s VAL 16 Cb 0.00 -3.05 0.04 0.00 -1.53 0.00 0.00 36.38 31.84 3nov s VAL 16 CO 0.00 -0.01 1.20 -1.58 -3.33 0.00 0.00 175.10 171.38 3nov s GLN 17 N -3.11 3.26 0.29 1.54 2.00 -0.05 -0.49 119.66 123.10 3nov s GLN 17 Ca 0.76 -0.21 -0.02 0.00 -2.00 0.00 0.00 55.36 53.88 3nov s GLN 17 Cb -0.38 -4.14 0.41 0.00 0.80 0.00 0.00 33.01 29.70 3nov s GLN 17 CO 0.43 -1.97 1.92 -0.56 -0.50 0.00 0.00 175.29 174.61 3nov h GLN 18 N 9.83 1.04 0.00 1.67 -0.00 -1.93 -1.25 115.11 124.47 3nov h GLN 18 Ca -0.27 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.65 58.26 3nov h GLN 18 Cb 1.06 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.48 28.32 3nov h GLN 18 CO 1.24 0.75 -0.08 1.25 -0.00 0.00 0.00 178.83 181.98 3nov h LEU 19 N 1.05 0.00 -1.68 0.06 5.85 -1.92 0.11 115.31 118.78 3nov h LEU 19 Ca 0.27 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.02 3nov h LEU 19 Cb -0.01 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3nov h LEU 19 CO -0.05 0.08 0.26 -0.33 -0.34 0.00 0.00 178.44 178.07 3nov h GLU 20 N 0.00 0.41 0.00 1.25 5.08 -1.35 -1.77 114.58 118.20 3nov h GLU 20 Ca -0.00 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3nov h GLU 20 Cb 0.17 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3nov h GLU 20 CO 0.01 0.27 -0.61 1.25 -1.00 0.00 0.00 179.01 178.93 3nov h LEU 21 N 0.42 0.00 -1.38 1.33 6.46 -1.27 -3.40 115.31 117.47 3nov h LEU 21 Ca 0.16 -0.45 -0.05 0.00 -0.12 0.00 0.00 57.88 57.42 3nov h LEU 21 Cb 0.12 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 3nov h LEU 21 CO -0.04 1.08 -0.24 0.71 -0.62 0.00 0.00 178.44 179.33 3nov h THR 22 N -1.00 0.71 0.66 1.05 1.35 -0.72 -1.22 112.91 113.72 3nov h THR 22 Ca -0.14 -1.01 -0.03 0.00 -0.55 0.00 0.00 66.41 64.68 3nov h THR 22 Cb 0.88 1.64 0.01 0.00 -1.73 0.00 0.00 68.15 68.94 3nov h THR 22 CO -0.08 0.23 -0.31 1.23 -0.25 0.00 0.00 175.52 176.33 3nov h GLY 23 N 1.52 -0.92 1.94 5.82 0.00 -1.56 -2.09 103.07 107.78 3nov h GLY 23 Ca -0.00 0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 3nov h GLY 23 CO 0.03 -0.33 -0.09 -0.56 0.00 0.00 0.00 176.54 175.59 3nov h PRO 24 N -1.00 0.08 -0.04 4.80 0.13 -1.74 -2.57 132.00 131.67 3nov h PRO 24 Ca -0.09 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.04 3nov h PRO 24 Cb 0.67 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 3nov h PRO 24 CO 0.15 0.18 -0.02 1.25 -0.23 0.00 0.00 178.00 179.33 3nov h HIS 25 N 0.08 -0.04 -0.29 1.56 2.76 -1.18 0.38 115.15 118.43 3nov h HIS 25 Ca 0.02 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.11 3nov h HIS 25 Cb 0.21 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.18 3nov h HIS 25 CO 0.00 -0.03 -0.17 0.22 -1.30 0.00 0.00 177.93 176.65 3nov h ASP 26 N -0.01 0.51 0.23 3.26 3.58 -0.98 0.96 116.42 123.97 3nov h ASP 26 Ca 0.02 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 3nov h ASP 26 Cb 0.04 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.96 3nov h ASP 26 CO -0.04 0.70 -0.11 0.58 -2.88 0.00 0.00 179.24 177.49 3nov h VAL 27 N 0.47 0.83 -0.27 2.25 2.07 -1.26 -3.13 116.25 117.21 3nov h VAL 27 Ca 0.08 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 3nov h VAL 27 Cb 0.57 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3nov h VAL 27 CO 0.04 0.14 -0.16 -0.07 0.02 0.00 0.00 177.57 177.54 3nov h LEU 28 N -0.66 0.46 -0.72 2.57 3.38 -0.75 -1.50 115.31 118.08 3nov h LEU 28 Ca -0.03 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3nov h LEU 28 Cb 0.46 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3nov h LEU 28 CO 0.05 0.64 0.00 0.00 0.09 0.00 0.00 178.44 179.22 3nov n ALA 29 N -2.48 1.42 1.27 1.53 0.00 0.32 -1.92 120.51 120.65 3nov n ALA 29 Ca 0.00 0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.67 3nov n ALA 29 Cb 0.34 -1.30 0.65 0.00 0.00 0.00 0.00 19.45 19.14 3nov n ALA 29 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3nov n SER 30 N -2.05 0.15 -4.89 0.00 7.64 -0.57 -4.94 113.62 108.97 3nov n SER 30 Ca 0.01 -0.08 -0.29 0.00 1.01 0.00 0.00 58.87 59.52 3nov n SER 30 Cb 0.14 -0.25 -0.01 0.00 -1.01 0.00 0.00 64.21 63.07 3nov n SER 30 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3nov s LEU 31 N -2.70 3.69 0.18 -3.43 1.43 -0.81 -4.98 118.68 112.06 3nov s LEU 31 Ca 0.23 1.08 -0.32 0.00 -1.03 0.00 0.00 54.13 54.10 3nov s LEU 31 Cb 0.20 -4.01 -0.11 0.00 0.03 0.00 0.00 46.19 42.30 3nov s LEU 31 CO 0.50 -0.52 1.69 -2.84 0.23 0.00 0.00 176.35 175.42 3nov s PRO 32 N -4.35 4.15 0.00 1.29 0.02 -1.26 -3.37 135.00 131.48 3nov s PRO 32 Ca 0.50 2.53 0.00 0.00 0.02 0.00 0.00 61.00 64.05 3nov s PRO 32 Cb -0.10 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3nov s PRO 32 CO 0.39 -0.73 0.00 -0.25 -0.33 0.00 0.00 177.00 176.08 3nov n ASP 33 N 4.29 -1.95 -4.81 2.53 8.00 -1.26 -4.78 116.55 118.57 3nov n ASP 33 Ca 0.16 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.35 3nov n ASP 33 Cb 0.37 -1.44 0.06 0.00 -0.02 0.00 0.00 41.12 40.09 3nov n ASP 33 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3nov s VAL 34 N -2.17 3.73 -0.10 2.53 -7.23 -1.22 -4.14 120.40 111.80 3nov s VAL 34 Ca 0.00 0.56 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 3nov s VAL 34 Cb 0.00 -3.30 0.02 0.00 0.56 0.00 0.00 36.38 33.66 3nov s VAL 34 CO 0.00 -0.73 -0.10 -1.10 -0.31 0.00 0.00 175.10 172.86 3nov s GLN 35 N -5.07 1.68 -0.13 4.82 -0.21 -0.34 -4.89 119.66 115.51 3nov s GLN 35 Ca 0.59 -0.34 -0.00 0.00 0.02 0.00 0.00 55.36 55.63 3nov s GLN 35 Cb -0.14 -1.61 -0.02 0.00 1.00 0.00 0.00 33.01 32.24 3nov s GLN 35 CO 0.55 -0.18 -0.12 0.08 -2.12 0.00 0.00 175.29 173.50 3nov s VAL 36 N 1.39 3.20 -0.05 1.09 1.01 -1.26 -1.21 120.40 124.56 3nov s VAL 36 Ca -0.00 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3nov s VAL 36 Cb -0.13 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 3nov s VAL 36 CO -0.05 0.53 -0.18 -1.00 0.00 0.00 0.00 175.10 174.40 3nov s HIS 37 N 0.24 2.61 -0.23 5.22 0.09 0.74 -4.98 115.29 118.98 3nov s HIS 37 Ca -0.08 -0.34 -0.06 0.00 -0.00 0.00 0.00 55.06 54.58 3nov s HIS 37 Cb -0.15 -1.63 -0.02 0.00 -0.00 0.00 0.00 32.58 30.78 3nov s HIS 37 CO 0.05 0.05 0.03 -0.51 -0.00 0.00 0.00 174.74 174.36 3nov s LEU 38 N -0.51 3.29 -0.12 0.89 1.02 -1.26 -1.20 118.68 120.79 3nov s LEU 38 Ca 0.07 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 53.98 3nov s LEU 38 Cb -0.12 -1.87 -0.01 0.00 0.02 0.00 0.00 46.19 44.21 3nov s LEU 38 CO 0.01 -0.01 -0.15 -0.63 0.02 0.00 0.00 176.35 175.59 3nov s ILE 39 N 1.48 2.92 0.08 -0.59 1.01 0.08 -0.22 121.20 125.95 3nov s ILE 39 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.99 3nov s ILE 39 Cb -0.15 -2.21 -0.00 0.00 0.01 0.00 0.00 42.46 40.11 3nov s ILE 39 CO 0.02 0.53 0.09 1.87 0.00 0.00 0.00 174.94 177.45 3nov n TRP 40 N 3.44 -0.50 0.26 3.97 -0.00 -0.75 -0.94 117.44 122.93 3nov n TRP 40 Ca -0.18 -0.56 0.11 0.00 -0.00 0.00 0.00 57.50 56.87 3nov n TRP 40 Cb 0.53 0.10 0.72 0.00 -0.00 0.00 0.00 31.31 32.66 3nov n TRP 40 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 3nov h LYS 41 N 0.00 0.00 -3.04 5.87 1.57 -1.88 -1.48 116.57 117.61 3nov h LYS 41 Ca -0.06 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 3nov h LYS 41 Cb 0.27 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.38 3nov h LYS 41 CO 0.08 0.09 -0.24 -1.83 -0.57 0.00 0.00 179.45 176.98 3nov s GLU 42 N -4.52 0.73 0.78 3.15 -1.05 -1.26 -4.32 118.70 112.21 3nov s GLU 42 Ca -0.04 -0.25 -0.11 0.00 -0.15 0.00 0.00 54.97 54.43 3nov s GLU 42 Cb 0.15 0.32 0.06 0.00 -0.44 0.00 0.00 34.13 34.23 3nov s GLU 42 CO 0.61 -0.21 1.10 -1.25 0.95 0.00 0.00 175.26 176.46 3nov s PRO 43 N -1.65 2.14 0.00 -4.83 0.04 -1.26 -4.68 135.00 124.76 3nov s PRO 43 Ca -0.11 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.15 3nov s PRO 43 Cb -0.04 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.62 3nov s PRO 43 CO 0.03 -1.74 0.00 0.41 0.04 0.00 0.00 177.00 175.74 3nov n GLY 44 N -1.01 0.52 3.75 0.56 0.00 -0.33 -4.89 105.19 103.78 3nov n GLY 44 Ca 0.09 -2.32 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 3nov n GLY 44 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3nov n PRO 45 N -0.65 2.69 -4.17 1.61 -0.02 -1.26 -0.74 135.00 132.45 3nov n PRO 45 Ca 0.00 0.96 -0.20 0.00 -2.02 0.00 0.00 63.50 62.23 3nov n PRO 45 Cb 0.00 -2.73 -0.16 0.00 -0.02 0.00 0.00 33.50 30.58 3nov n PRO 45 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3nov s VAL 46 N -0.12 0.56 -0.22 -1.45 1.01 0.55 -4.88 120.40 115.85 3nov s VAL 46 Ca 0.63 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 62.31 3nov s VAL 46 Cb -0.50 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3nov s VAL 46 CO 0.50 0.23 0.41 -0.69 0.00 0.00 0.00 175.10 175.56 3nov s VAL 47 N 0.93 5.17 0.92 2.92 1.01 -1.26 -0.80 120.40 129.28 3nov s VAL 47 Ca -0.11 0.71 -0.12 0.00 0.00 0.00 0.00 61.98 62.46 3nov s VAL 47 Cb -0.14 -3.74 0.14 0.00 0.00 0.00 0.00 36.38 32.64 3nov s VAL 47 CO 0.00 0.21 1.14 0.00 0.00 0.00 0.00 175.10 176.45 3nov s ALA 48 N 1.59 1.74 0.50 5.51 0.00 0.19 -0.80 121.76 130.49 3nov s ALA 48 Ca 0.19 -0.54 0.28 0.00 0.00 0.00 0.00 51.96 51.89 3nov s ALA 48 Cb -0.15 -3.03 1.63 0.00 0.00 0.00 0.00 23.12 21.57 3nov s ALA 48 CO 0.09 -2.32 2.16 0.66 0.00 0.00 0.00 175.76 176.35 3nov h SER 49 N -1.52 0.00 0.72 0.00 4.64 -0.96 -0.47 113.55 115.96 3nov h SER 49 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3nov h SER 49 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3nov h SER 49 CO 0.61 0.06 -0.11 -1.54 -0.87 0.00 0.00 176.83 174.98 3nov n SER 50 N -3.75 0.18 0.00 4.97 3.41 -1.26 -4.91 113.62 112.25 3nov n SER 50 Ca -0.02 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 3nov n SER 50 Cb 0.16 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 3nov n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3nov n GLY 51 N 1.42 2.09 3.75 5.00 0.00 -0.18 -5.05 105.19 112.22 3nov n GLY 51 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3nov n GLY 51 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3nov s LEU 52 N 0.00 4.35 -0.23 0.99 0.20 -1.26 -4.66 118.68 118.07 3nov s LEU 52 Ca 0.00 2.93 -0.10 0.00 0.69 0.00 0.00 54.13 57.65 3nov s LEU 52 Cb 0.00 -3.63 -0.05 0.00 -0.43 0.00 0.00 46.19 42.08 3nov s LEU 52 CO 0.00 -0.90 0.14 -0.69 -0.29 0.00 0.00 176.35 174.61 3nov s VAL 53 N -0.01 5.20 0.33 1.68 1.01 -1.26 -0.64 120.40 126.70 3nov s VAL 53 Ca 0.63 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.81 3nov s VAL 53 Cb -0.47 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3nov s VAL 53 CO 0.48 0.37 0.24 -0.76 0.00 0.00 0.00 175.10 175.42 3nov s LEU 54 N 0.96 3.54 -0.21 3.92 1.43 0.02 -4.94 118.68 123.39 3nov s LEU 54 Ca 0.07 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3nov s LEU 54 Cb -0.13 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.00 3nov s LEU 54 CO 0.03 -0.29 -0.14 -1.10 0.23 0.00 0.00 176.35 175.08 3nov s GLN 55 N -3.93 2.92 0.33 1.70 -1.52 -1.26 -0.33 119.66 117.56 3nov s GLN 55 Ca 0.39 -0.90 -0.28 0.00 -1.95 0.00 0.00 55.36 52.62 3nov s GLN 55 Cb -0.05 -2.74 -0.10 0.00 -0.22 0.00 0.00 33.01 29.89 3nov s GLN 55 CO 0.25 -0.29 1.24 0.00 -0.25 0.00 0.00 175.29 176.24 3nov s ALA 56 N 1.30 3.42 -0.39 6.09 0.00 0.08 -4.83 121.76 127.43 3nov s ALA 56 Ca 0.02 1.14 0.20 0.00 0.00 0.00 0.00 51.96 53.33 3nov s ALA 56 Cb -0.15 -3.43 -0.28 0.00 0.00 0.00 0.00 23.12 19.26 3nov s ALA 56 CO -0.09 -0.52 0.61 0.25 0.00 0.00 0.00 175.76 176.00 3nov n THR 57 N 0.76 0.00 -3.66 0.00 -2.24 0.69 -1.19 114.28 108.64 3nov n THR 57 Ca 0.00 -0.30 -0.15 0.00 -2.27 0.00 0.00 64.05 61.34 3nov n THR 57 Cb 0.43 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.99 3nov n THR 57 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3nov s THR 58 N -3.22 0.02 0.82 4.28 -1.32 -1.02 -4.83 115.64 110.37 3nov s THR 58 Ca -0.02 -0.20 -0.12 0.00 -1.21 0.00 0.00 61.69 60.15 3nov s THR 58 Cb 0.14 -0.78 0.09 0.00 -1.51 0.00 0.00 72.50 70.44 3nov s THR 58 CO 0.84 -0.11 1.11 -0.94 -2.21 0.00 0.00 174.62 173.31 3nov s SER 59 N -0.93 4.28 0.16 8.08 1.04 -1.25 -1.81 113.70 123.27 3nov s SER 59 Ca -0.10 1.19 -0.16 0.00 0.48 0.00 0.00 55.95 57.36 3nov s SER 59 Cb -0.03 -1.88 0.09 0.00 0.10 0.00 0.00 66.02 64.30 3nov s SER 59 CO 0.06 -2.09 1.70 -0.26 0.98 0.00 0.00 173.24 173.62 3nov h PHE 60 N -1.18 -0.04 -0.36 5.02 0.04 -1.45 -2.05 116.94 116.93 3nov h PHE 60 Ca -0.48 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.28 3nov h PHE 60 Cb 1.29 0.07 -0.02 0.00 2.20 0.00 0.00 35.95 39.49 3nov h PHE 60 CO 0.42 -0.08 0.05 0.00 -0.60 0.00 0.00 178.31 178.10 3nov h ALA 61 N 1.33 1.42 -0.02 2.45 0.00 -1.89 -2.69 119.26 119.87 3nov h ALA 61 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3nov h ALA 61 Cb 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3nov h ALA 61 CO -0.32 0.42 -0.14 -0.25 0.00 0.00 0.00 179.25 178.96 3nov n ASP 62 N -4.31 1.77 -4.73 0.00 8.00 -1.03 -4.91 116.55 111.35 3nov n ASP 62 Ca 0.02 -1.45 -0.42 0.00 0.71 0.00 0.00 54.79 53.65 3nov n ASP 62 Cb 0.21 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 3nov n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3nov s PRO 64 N 0.40 0.53 0.08 0.00 0.02 -1.26 -4.91 135.00 129.86 3nov s PRO 64 Ca 0.58 1.08 -0.32 0.00 0.02 0.00 0.00 61.00 62.37 3nov s PRO 64 Cb -0.35 -1.70 -0.11 0.00 0.02 0.00 0.00 34.50 32.36 3nov s PRO 64 CO 0.34 -2.82 1.84 -2.30 -0.33 0.00 0.00 177.00 173.74 3nov n PRO 65 N -4.31 2.64 -3.28 5.54 -0.02 -1.26 -4.94 135.00 129.37 3nov n PRO 65 Ca 0.07 0.96 -0.37 0.00 -2.02 0.00 0.00 63.50 62.14 3nov n PRO 65 Cb 0.54 -2.85 -0.06 0.00 -0.02 0.00 0.00 33.50 31.11 3nov n PRO 65 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3nov s LEU 66 N 3.05 4.44 -0.00 2.45 1.43 -1.26 -4.78 118.68 124.01 3nov s LEU 66 Ca 0.85 1.21 0.02 0.00 -1.03 0.00 0.00 54.13 55.18 3nov s LEU 66 Cb -0.53 -3.12 -0.25 0.00 0.03 0.00 0.00 46.19 42.32 3nov s LEU 66 CO 0.41 0.18 0.82 0.44 0.23 0.00 0.00 176.35 178.43 3nov h ASP 67 N 4.04 0.24 -3.33 2.29 3.32 -1.23 -3.35 116.42 118.40 3nov h ASP 67 Ca -0.49 -0.37 -0.50 0.00 0.02 0.00 0.00 57.03 55.69 3nov h ASP 67 Cb 1.20 -0.08 -0.35 0.00 0.22 0.00 0.00 39.33 40.33 3nov h ASP 67 CO 0.64 1.31 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.98 3nov s VAL 68 N -2.62 0.97 -0.02 -1.35 1.01 -0.81 -1.24 120.40 116.34 3nov s VAL 68 Ca -0.08 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3nov s VAL 68 Cb 0.08 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 3nov s VAL 68 CO 0.83 0.34 -0.19 -0.51 0.00 0.00 0.00 175.10 175.57 3nov s ILE 69 N 1.15 2.68 -0.06 2.22 2.07 -0.58 -0.73 121.20 127.95 3nov s ILE 69 Ca -0.06 -0.94 -0.00 0.00 -1.41 0.00 0.00 60.65 58.24 3nov s ILE 69 Cb -0.14 -2.03 0.03 0.00 0.13 0.00 0.00 42.46 40.45 3nov s ILE 69 CO -0.02 0.54 -0.02 0.00 -1.91 0.00 0.00 174.94 173.54 3nov s ILE 71 N 1.43 4.71 0.96 0.00 -1.09 -0.20 -1.72 121.20 125.27 3nov s ILE 71 Ca -0.03 -1.30 -0.12 0.00 -2.23 0.00 0.00 60.65 56.96 3nov s ILE 71 Cb -0.13 -3.88 0.16 0.00 -1.58 0.00 0.00 42.46 37.03 3nov s ILE 71 CO -0.03 -0.59 1.11 -2.16 -1.23 0.00 0.00 174.94 172.05 3nov s PRO 72 N 1.52 0.77 0.00 2.79 0.04 -1.26 -1.47 135.00 137.39 3nov s PRO 72 Ca 0.04 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.48 3nov s PRO 72 Cb -0.24 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3nov s PRO 72 CO 0.04 -2.47 0.00 0.41 0.04 0.00 0.00 177.00 175.02 3nov n GLY 73 N -1.64 3.61 0.00 0.56 0.00 -0.91 -3.86 105.19 102.95 3nov n GLY 73 Ca 0.06 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.07 3nov n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3nov n GLY 74 N 5.00 1.13 0.38 -0.02 0.00 -1.26 -0.87 105.19 109.54 3nov n GLY 74 Ca 0.00 -2.27 0.14 0.00 0.00 0.00 0.00 46.02 43.89 3nov n GLY 74 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3nov h THR 75 N 0.41 0.82 0.00 2.61 2.02 -1.82 -1.29 112.91 115.66 3nov h THR 75 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3nov h THR 75 Cb 0.00 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 3nov h THR 75 CO 0.00 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.60 3nov n GLY 76 N -1.48 -0.77 0.30 2.16 0.00 -0.20 -3.00 105.19 102.20 3nov n GLY 76 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3nov n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3nov h VAL 77 N 0.00 1.18 -0.56 1.61 2.07 -1.50 -2.84 116.25 116.21 3nov h VAL 77 Ca 0.00 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.00 3nov h VAL 77 Cb 0.15 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3nov h VAL 77 CO 0.00 0.22 0.32 1.23 0.02 0.00 0.00 177.57 179.36 3nov h GLY 78 N 0.83 0.80 0.97 2.17 0.00 -1.77 -0.88 103.07 105.19 3nov h GLY 78 Ca 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 3nov h GLY 78 CO -0.02 0.17 0.17 0.00 0.00 0.00 0.00 176.54 176.87 3nov h ALA 79 N 1.27 0.64 -0.16 3.60 0.00 -1.79 -3.08 119.26 119.74 3nov h ALA 79 Ca 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3nov h ALA 79 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3nov h ALA 79 CO -0.13 0.28 -0.08 1.25 0.00 0.00 0.00 179.25 180.57 3nov h LEU 80 N 0.66 0.23 -0.73 0.00 5.85 -1.09 -1.94 115.31 118.29 3nov h LEU 80 Ca 0.16 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3nov h LEU 80 Cb 0.24 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3nov h LEU 80 CO -0.01 0.34 0.00 0.23 -0.34 0.00 0.00 178.44 178.66 3nov n MET 81 N -4.32 0.12 -0.18 1.25 2.81 -0.42 -2.01 117.12 114.37 3nov n MET 81 Ca -0.01 0.47 0.08 0.00 -1.81 0.00 0.00 57.70 56.43 3nov n MET 81 Cb 0.23 -1.79 0.11 0.00 -0.71 0.00 0.00 33.22 31.06 3nov n MET 81 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3nov n GLU 82 N -2.03 1.01 -3.14 0.03 1.02 -0.75 -4.86 120.64 111.91 3nov n GLU 82 Ca 0.01 -2.27 -0.44 0.00 -0.02 0.00 0.00 57.16 54.44 3nov n GLU 82 Cb 0.13 -1.28 -0.06 0.00 -0.02 0.00 0.00 31.44 30.21 3nov n GLU 82 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3nov s ASP 83 N -2.49 6.21 0.43 1.62 -1.08 -0.85 -4.92 116.67 115.58 3nov s ASP 83 Ca 0.25 -1.08 0.21 0.00 -0.52 0.00 0.00 52.55 51.42 3nov s ASP 83 Cb 0.22 -2.29 0.96 0.00 -1.46 0.00 0.00 42.92 40.36 3nov s ASP 83 CO 0.02 -0.96 1.87 1.55 0.52 0.00 0.00 175.17 178.17 3nov h PRO 84 N 9.05 0.00 -0.02 4.34 0.13 -1.93 -1.17 132.00 142.41 3nov h PRO 84 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3nov h PRO 84 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3nov h PRO 84 CO 1.01 0.27 -0.00 0.37 -0.23 0.00 0.00 178.00 179.41 3nov h GLN 85 N 0.00 0.04 -0.43 0.86 4.15 -1.96 -2.34 115.11 115.43 3nov h GLN 85 Ca -0.00 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.29 3nov h GLN 85 Cb 0.66 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 3nov h GLN 85 CO 0.03 0.39 -0.16 0.00 -1.93 0.00 0.00 178.83 177.17 3nov h ALA 86 N 0.65 0.60 -0.45 3.38 0.00 -1.83 -2.60 119.26 119.00 3nov h ALA 86 Ca 0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3nov h ALA 86 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3nov h ALA 86 CO 0.00 0.53 -0.13 -0.07 0.00 0.00 0.00 179.25 179.59 3nov h LEU 87 N 0.70 0.83 -0.62 0.00 3.38 -1.27 -1.03 115.31 117.29 3nov h LEU 87 Ca 0.10 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3nov h LEU 87 Cb 0.72 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3nov h LEU 87 CO 0.05 0.97 0.07 0.00 0.09 0.00 0.00 178.44 179.63 3nov h ALA 88 N 1.10 0.83 -0.24 1.53 0.00 -1.37 -1.14 119.26 119.98 3nov h ALA 88 Ca 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3nov h ALA 88 Cb 0.64 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3nov h ALA 88 CO 0.04 0.62 0.15 0.35 0.00 0.00 0.00 179.25 180.41 3nov h PHE 89 N 0.96 0.31 -0.41 0.00 3.57 -1.10 0.14 116.94 120.42 3nov h PHE 89 Ca 0.19 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3nov h PHE 89 Cb 0.47 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3nov h PHE 89 CO 0.03 0.23 0.22 0.82 -2.23 0.00 0.00 178.31 177.38 3nov h ILE 90 N 0.31 1.16 -0.82 1.41 2.04 -0.96 0.43 117.51 121.08 3nov h ILE 90 Ca 0.09 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.55 3nov h ILE 90 Cb 0.00 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 3nov h ILE 90 CO -0.02 0.17 0.54 0.03 0.00 0.00 0.00 178.15 178.87 3nov h ARG 91 N 0.52 1.00 -0.32 2.37 3.08 -1.05 0.75 114.38 120.74 3nov h ARG 91 Ca 0.14 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 3nov h ARG 91 Cb 0.07 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3nov h ARG 91 CO -0.02 0.66 -0.32 0.37 -1.07 0.00 0.00 179.97 179.59 3nov h GLN 92 N 1.03 0.68 0.14 0.04 4.15 0.10 -2.28 115.11 118.98 3nov h GLN 92 Ca 0.32 -0.31 -0.29 0.00 0.77 0.00 0.00 58.65 59.14 3nov h GLN 92 Cb 0.00 -0.01 0.02 0.00 0.21 0.00 0.00 27.48 27.70 3nov h GLN 92 CO -0.09 0.91 -1.26 1.96 -1.93 0.00 0.00 178.83 178.41 3nov h GLN 93 N 0.58 0.39 0.00 1.69 1.08 -0.65 -3.27 115.11 114.92 3nov h GLN 93 Ca 0.07 -0.61 -0.02 0.00 -1.45 0.00 0.00 58.65 56.64 3nov h GLN 93 Cb 0.82 0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 28.47 3nov h GLN 93 CO 0.07 1.28 -0.09 0.00 -0.95 0.00 0.00 178.83 179.14 3nov h ALA 94 N 0.47 1.10 -0.41 3.87 0.00 -0.75 -1.04 119.26 122.49 3nov h ALA 94 Ca -0.16 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3nov h ALA 94 Cb 1.97 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 3nov h ALA 94 CO 0.22 0.11 0.27 0.00 0.00 0.00 0.00 179.25 179.85 3nov h ALA 95 N 1.91 1.74 0.00 0.00 0.00 -1.46 -3.30 119.26 118.15 3nov h ALA 95 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3nov h ALA 95 Cb 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3nov h ALA 95 CO 0.01 0.24 0.00 0.54 0.00 0.00 0.00 179.25 180.04 3nov n ARG 96 N -4.48 3.72 -1.72 0.00 1.74 -1.08 -5.05 116.66 109.80 3nov n ARG 96 Ca 0.03 -0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.65 3nov n ARG 96 Cb 0.08 -0.42 0.01 0.00 -1.02 0.00 0.00 32.46 31.11 3nov n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3nov n ALA 97 N -0.55 1.50 -0.01 7.54 0.00 -0.42 -4.88 120.51 123.70 3nov n ALA 97 Ca 0.00 0.27 -0.05 0.00 0.00 0.00 0.00 53.44 53.66 3nov n ALA 97 Cb 0.01 -2.30 0.17 0.00 0.00 0.00 0.00 19.45 17.34 3nov n ALA 97 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3nov h ARG 98 N 2.18 0.54 -4.29 0.00 9.65 -1.47 -3.43 114.38 117.55 3nov h ARG 98 Ca -0.49 -0.21 -0.46 0.00 -1.10 0.00 0.00 59.98 57.72 3nov h ARG 98 Cb 1.29 -0.03 -0.34 0.00 -1.39 0.00 0.00 29.97 29.50 3nov h ARG 98 CO 0.60 0.76 -0.79 0.71 2.80 0.00 0.00 179.97 184.05 3nov s TYR 99 N -4.49 1.11 -0.20 2.20 2.02 -0.37 -4.70 117.35 112.92 3nov s TYR 99 Ca -0.07 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 3nov s TYR 99 Cb 0.13 -0.87 0.03 0.00 -0.40 0.00 0.00 41.96 40.85 3nov s TYR 99 CO 0.80 -0.24 -0.16 0.08 -1.57 0.00 0.00 175.55 174.46 3nov s VAL 100 N 0.79 2.22 0.12 0.71 1.01 -0.75 -1.53 120.40 122.97 3nov s VAL 100 Ca -0.13 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.80 3nov s VAL 100 Cb -0.15 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3nov s VAL 100 CO 0.02 0.39 -0.03 0.42 0.00 0.00 0.00 175.10 175.91 3nov s THR 101 N 1.26 0.53 0.20 3.92 -4.23 -0.07 -1.23 115.64 116.03 3nov s THR 101 Ca 0.02 -1.92 -0.19 0.00 -1.18 0.00 0.00 61.69 58.41 3nov s THR 101 Cb -0.15 -1.83 0.03 0.00 1.34 0.00 0.00 72.50 71.90 3nov s THR 101 CO -0.10 -0.73 0.57 -0.94 -0.54 0.00 0.00 174.62 172.88 3nov s SER 102 N -3.06 -0.32 -0.03 3.99 1.04 -0.76 -1.03 113.70 113.53 3nov s SER 102 Ca 0.16 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.22 3nov s SER 102 Cb 0.06 0.61 -0.00 0.00 0.10 0.00 0.00 66.02 66.79 3nov s SER 102 CO -0.02 -1.08 -0.13 -0.69 0.98 0.00 0.00 173.24 172.30 3nov s VAL 103 N -3.86 1.07 0.00 5.02 1.01 -0.54 -0.89 120.40 122.21 3nov s VAL 103 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3nov s VAL 103 Cb -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.44 3nov s VAL 103 CO -0.03 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.38 3nov n THR 105 N 0.00 0.00 -0.01 0.00 -2.24 -1.26 -2.55 114.28 108.22 3nov n THR 105 Ca 0.00 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 61.97 3nov n THR 105 Cb 0.00 -0.35 0.67 0.00 -2.10 0.00 0.00 70.33 68.54 3nov n THR 105 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3nov h GLY 106 N 4.58 0.08 2.00 3.38 0.00 -1.03 -0.20 103.07 111.88 3nov h GLY 106 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 3nov h GLY 106 CO 0.00 0.01 -0.19 1.48 0.00 0.00 0.00 176.54 177.84 3nov h SER 107 N 0.05 0.00 0.67 0.19 4.64 -1.68 -1.74 113.55 115.69 3nov h SER 107 Ca 0.26 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.51 3nov h SER 107 Cb 0.95 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3nov h SER 107 CO -0.02 0.19 -0.33 -0.07 -0.87 0.00 0.00 176.83 175.73 3nov h LEU 108 N 0.00 0.00 -0.10 5.97 3.38 -1.27 0.49 115.31 123.78 3nov h LEU 108 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3nov h LEU 108 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3nov h LEU 108 CO 0.02 0.33 -0.06 0.58 0.09 0.00 0.00 178.44 179.40 3nov h VAL 109 N 0.00 1.33 -0.79 1.22 2.07 -1.32 0.14 116.25 118.90 3nov h VAL 109 Ca -0.00 -1.13 0.13 0.00 0.82 0.00 0.00 66.70 66.52 3nov h VAL 109 Cb 0.75 1.87 -0.09 0.00 -1.52 0.00 0.00 31.29 32.30 3nov h VAL 109 CO 0.04 0.32 0.38 -0.07 0.02 0.00 0.00 177.57 178.26 3nov h LEU 110 N -0.16 0.44 -0.44 2.57 3.38 -1.18 -0.95 115.31 118.97 3nov h LEU 110 Ca 0.02 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3nov h LEU 110 Cb 0.54 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3nov h LEU 110 CO 0.02 0.20 0.23 1.23 0.09 0.00 0.00 178.44 180.21 3nov h GLY 111 N 0.57 0.67 2.00 0.83 0.00 -0.71 -1.16 103.07 105.27 3nov h GLY 111 Ca 0.42 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3nov h GLY 111 CO -0.35 0.30 -0.11 0.00 0.00 0.00 0.00 176.54 176.38 3nov h ALA 112 N 1.08 1.78 0.00 3.60 0.00 -0.33 -0.85 119.26 124.54 3nov h ALA 112 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3nov h ALA 112 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3nov h ALA 112 CO -0.02 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3nov n ALA 113 N -2.50 2.66 -0.91 0.00 0.00 -0.42 -4.90 120.51 114.44 3nov n ALA 113 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3nov n ALA 113 Cb 0.18 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.16 3nov n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nov n GLY 114 N 0.94 0.47 0.97 0.00 0.00 -0.32 -4.81 105.19 102.43 3nov n GLY 114 Ca 0.22 -0.73 0.12 0.00 0.00 0.00 0.00 46.02 45.63 3nov n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3nov n LEU 115 N 0.00 2.99 -0.53 0.99 4.77 -0.48 -4.15 117.00 120.59 3nov n LEU 115 Ca 0.00 -1.10 0.07 0.00 -0.03 0.00 0.00 56.01 54.94 3nov n LEU 115 Cb 0.00 -0.08 0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3nov n LEU 115 CO 0.00 0.55 0.46 0.18 -1.33 0.00 0.00 177.39 177.25 3nov n LEU 116 N 1.28 2.12 -4.69 2.23 4.77 -1.26 -4.91 117.00 116.54 3nov n LEU 116 Ca 0.16 -1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 54.69 3nov n LEU 116 Cb 0.58 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 3nov n LEU 116 CO 0.15 0.40 1.33 -1.58 -1.33 0.00 0.00 177.39 176.36 3nov s GLN 117 N -1.08 4.20 -0.68 3.23 2.00 -1.25 -1.38 119.66 124.69 3nov s GLN 117 Ca 0.16 2.31 0.00 0.00 -2.00 0.00 0.00 55.36 55.83 3nov s GLN 117 Cb 0.11 -3.63 0.00 0.00 0.80 0.00 0.00 33.01 30.29 3nov s GLN 117 CO 0.16 -0.74 0.00 0.41 -0.50 0.00 0.00 175.29 174.63 3nov n GLY 118 N 4.00 0.80 3.76 2.59 0.00 0.21 -4.95 105.19 111.60 3nov n GLY 118 Ca 0.16 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 3nov n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3nov s LYS 119 N -2.15 3.41 0.16 1.61 -0.14 -0.48 -4.79 119.74 117.36 3nov s LYS 119 Ca 0.00 -0.27 -0.31 0.00 -1.36 0.00 0.00 55.97 54.03 3nov s LYS 119 Cb 0.00 -3.06 -0.09 0.00 -1.68 0.00 0.00 37.83 33.00 3nov s LYS 119 CO 0.00 0.64 1.41 1.03 -0.76 0.00 0.00 175.35 177.68 3nov s ARG 120 N -0.67 4.31 0.14 1.68 0.52 -1.26 -0.41 118.95 123.25 3nov s ARG 120 Ca 0.12 2.16 -0.22 0.00 -0.52 0.00 0.00 55.73 57.27 3nov s ARG 120 Cb -0.12 -3.20 0.06 0.00 0.52 0.00 0.00 34.95 32.21 3nov s ARG 120 CO 0.02 -0.43 0.56 0.00 0.02 0.00 0.00 175.30 175.47 3nov s ALA 121 N 0.77 -1.45 0.45 2.13 0.00 -0.74 -4.45 121.76 118.48 3nov s ALA 121 Ca 0.63 0.42 0.03 0.00 0.00 0.00 0.00 51.96 53.04 3nov s ALA 121 Cb -0.39 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 3nov s ALA 121 CO 0.34 -0.71 0.07 -0.08 0.00 0.00 0.00 175.76 175.38 3nov s THR 122 N -3.55 0.90 0.29 0.00 -1.32 -1.26 -1.22 115.64 109.48 3nov s THR 122 Ca 0.00 -2.00 -0.09 0.00 -1.21 0.00 0.00 61.69 58.40 3nov s THR 122 Cb -0.00 -2.30 0.03 0.00 -1.51 0.00 0.00 72.50 68.72 3nov s THR 122 CO -0.11 0.00 0.54 1.07 -2.21 0.00 0.00 174.62 173.91 3nov n THR 123 N -1.06 0.00 -1.70 5.08 5.66 -1.26 -4.75 114.28 116.25 3nov n THR 123 Ca -0.12 -0.89 -0.43 0.00 -3.05 0.00 0.00 64.05 59.56 3nov n THR 123 Cb 0.66 0.76 -0.01 0.00 -1.55 0.00 0.00 70.33 70.19 3nov n THR 123 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 3nov n HIS 124 N -0.41 2.40 -0.08 1.09 -0.00 -1.18 -4.58 115.22 112.47 3nov n HIS 124 Ca -0.05 0.45 0.14 0.00 0.46 0.00 0.00 57.72 58.72 3nov n HIS 124 Cb 0.44 -2.47 0.54 0.00 -0.12 0.00 0.00 29.99 28.38 3nov n HIS 124 CO 0.00 0.00 0.00 0.11 0.46 0.00 0.00 176.34 176.91 3nov h TRP 125 N 3.60 0.35 0.00 1.57 5.08 -1.99 -0.72 115.95 123.84 3nov h TRP 125 Ca -0.46 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.52 3nov h TRP 125 Cb 1.27 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 3nov h TRP 125 CO 0.54 0.16 0.00 0.00 -1.28 0.00 0.00 178.44 177.86 3nov n ALA 126 N -2.54 1.82 -0.47 0.11 0.00 -1.26 -3.10 120.51 115.06 3nov n ALA 126 Ca 0.11 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.64 3nov n ALA 126 Cb 0.45 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.55 3nov n ALA 126 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3nov n TYR 127 N -2.20 0.00 0.27 0.00 4.01 -0.29 -4.81 117.16 114.13 3nov n TYR 127 Ca 0.03 -0.70 0.12 0.00 -0.16 0.00 0.00 57.90 57.19 3nov n TYR 127 Cb 0.28 -0.09 0.75 0.00 -0.31 0.00 0.00 39.34 39.96 3nov n TYR 127 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3nov h HIS 128 N 0.00 0.00 0.00 -0.72 2.76 -1.45 -0.60 115.15 115.15 3nov h HIS 128 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3nov h HIS 128 Cb 0.72 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.68 3nov h HIS 128 CO 0.00 0.09 0.00 -0.85 -1.30 0.00 0.00 177.93 175.87 3nov n GLU 129 N -3.86 0.03 0.00 5.26 0.28 -1.26 -2.51 120.64 118.58 3nov n GLU 129 Ca -0.02 0.37 0.14 0.00 -0.16 0.00 0.00 57.16 57.48 3nov n GLU 129 Cb 0.18 -1.57 0.47 0.00 1.43 0.00 0.00 31.44 31.96 3nov n GLU 129 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3nov n LEU 130 N -1.62 1.09 -0.01 -1.84 4.77 -0.23 -4.22 117.00 114.94 3nov n LEU 130 Ca 0.02 -0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 55.57 3nov n LEU 130 Cb 0.11 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.02 3nov n LEU 130 CO 0.10 0.19 0.50 -0.07 -1.33 0.00 0.00 177.39 176.78 3nov h LEU 131 N 1.49 -0.06 -0.75 2.23 3.38 -1.67 -3.33 115.31 116.59 3nov h LEU 131 Ca 0.00 -0.56 0.08 0.00 0.09 0.00 0.00 57.88 57.49 3nov h LEU 131 Cb 0.47 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 3nov h LEU 131 CO 0.00 0.57 0.43 0.00 0.09 0.00 0.00 178.44 179.52 3nov h ALA 132 N 0.13 1.04 0.00 1.53 0.00 -1.73 -0.92 119.26 119.31 3nov h ALA 132 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3nov h ALA 132 Cb 0.61 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3nov h ALA 132 CO 0.01 0.09 -0.00 -1.35 0.00 0.00 0.00 179.25 178.00 3nov h PRO 133 N 0.75 0.00 -0.54 0.00 0.11 -1.79 -0.40 132.00 130.14 3nov h PRO 133 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3nov h PRO 133 Cb 0.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3nov h PRO 133 CO -0.21 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.86 3nov n LEU 134 N -3.41 2.89 0.00 2.35 4.77 -0.38 -4.71 117.00 118.50 3nov n LEU 134 Ca -0.03 -1.45 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 3nov n LEU 134 Cb 0.08 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3nov n LEU 134 CO 0.23 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 3nov n GLY 135 N 1.28 0.92 3.81 -0.72 0.00 -0.16 -3.94 105.19 106.38 3nov n GLY 135 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3nov n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nov s ALA 136 N -2.80 2.83 -0.57 4.61 0.00 -0.99 -0.61 121.76 124.23 3nov s ALA 136 Ca 0.00 0.45 -0.24 0.00 0.00 0.00 0.00 51.96 52.17 3nov s ALA 136 Cb 0.00 -3.23 0.05 0.00 0.00 0.00 0.00 23.12 19.94 3nov s ALA 136 CO 0.00 -0.56 0.93 0.42 0.00 0.00 0.00 175.76 176.55 3nov s ILE 137 N -2.30 4.40 0.08 0.00 1.01 0.45 -4.02 121.20 120.83 3nov s ILE 137 Ca 0.64 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 61.13 3nov s ILE 137 Cb -0.15 -4.55 -0.06 0.00 0.01 0.00 0.00 42.46 37.71 3nov s ILE 137 CO 0.30 -1.15 1.19 -2.84 0.00 0.00 0.00 174.94 172.44 3nov s PRO 138 N 3.90 4.45 -0.04 2.79 0.02 -1.26 -1.79 135.00 143.07 3nov s PRO 138 Ca 0.28 1.78 0.03 0.00 0.02 0.00 0.00 61.00 63.11 3nov s PRO 138 Cb -0.14 -3.33 0.00 0.00 0.02 0.00 0.00 34.50 31.06 3nov s PRO 138 CO 0.17 -0.21 -0.13 0.08 -0.33 0.00 0.00 177.00 176.58 3nov s VAL 139 N 0.85 1.15 -1.08 3.83 1.01 -0.35 -4.91 120.40 120.88 3nov s VAL 139 Ca 0.57 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 3nov s VAL 139 Cb -0.30 -1.01 0.24 0.00 0.00 0.00 0.00 36.38 35.32 3nov s VAL 139 CO 0.30 0.34 1.13 -1.00 0.00 0.00 0.00 175.10 175.87 3nov s HIS 140 N 0.25 4.02 0.05 5.22 3.76 -1.26 -4.23 115.29 123.09 3nov s HIS 140 Ca -0.06 -2.44 -0.01 0.00 -0.15 0.00 0.00 55.06 52.40 3nov s HIS 140 Cb -0.12 -3.94 -0.04 0.00 1.11 0.00 0.00 32.58 29.59 3nov s HIS 140 CO 0.02 -1.06 -0.03 -1.21 -0.85 0.00 0.00 174.74 171.61 3nov s GLU 141 N -0.38 0.59 0.16 1.40 2.02 -1.26 -5.07 118.70 116.16 3nov s GLU 141 Ca 0.31 -1.16 -0.12 0.00 0.02 0.00 0.00 54.97 54.02 3nov s GLU 141 Cb -0.08 0.16 0.05 0.00 0.10 0.00 0.00 34.13 34.36 3nov s GLU 141 CO -0.07 -0.09 1.68 0.00 0.02 0.00 0.00 175.26 176.79 3nov h ARG 142 N 3.31 0.88 -3.92 1.61 3.08 -1.93 -3.41 114.38 114.01 3nov h ARG 142 Ca -0.34 -0.21 -0.46 0.00 0.07 0.00 0.00 59.98 59.05 3nov h ARG 142 Cb 1.15 -0.12 -0.37 0.00 0.08 0.00 0.00 29.97 30.71 3nov h ARG 142 CO 0.63 0.82 -0.78 0.08 -1.07 0.00 0.00 179.97 179.65 3nov s VAL 143 N -5.33 0.59 -0.18 2.04 1.01 -1.26 -0.89 120.40 116.38 3nov s VAL 143 Ca -0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 61.76 3nov s VAL 143 Cb 0.12 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 3nov s VAL 143 CO 0.81 0.28 -0.01 -0.69 0.00 0.00 0.00 175.10 175.49 3nov s VAL 144 N 1.68 3.98 -0.11 2.92 1.01 0.15 -4.95 120.40 125.07 3nov s VAL 144 Ca 0.01 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3nov s VAL 144 Cb -0.13 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 3nov s VAL 144 CO -0.05 0.45 -0.19 -0.60 0.00 0.00 0.00 175.10 174.72 3nov s ARG 145 N 0.74 3.11 -0.27 2.72 3.52 -1.26 -1.05 118.95 126.46 3nov s ARG 145 Ca -0.00 -0.79 -0.02 0.00 -0.13 0.00 0.00 55.73 54.79 3nov s ARG 145 Cb -0.14 -2.43 0.09 0.00 -1.56 0.00 0.00 34.95 30.90 3nov s ARG 145 CO 0.02 0.24 0.09 0.34 -0.81 0.00 0.00 175.30 175.18 3nov s ASP 146 N 0.22 3.58 1.96 -2.12 -1.08 -0.23 -4.95 116.67 114.05 3nov s ASP 146 Ca -0.12 -1.31 0.00 0.00 -0.52 0.00 0.00 52.55 50.60 3nov s ASP 146 Cb -0.16 -0.67 0.00 0.00 -1.46 0.00 0.00 42.92 40.63 3nov s ASP 146 CO 0.06 -0.39 0.00 0.61 0.52 0.00 0.00 175.17 175.98 3nov n GLY 147 N 5.00 3.67 1.67 2.66 0.00 -1.26 -1.68 105.19 115.25 3nov n GLY 147 Ca -0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 3nov n GLY 147 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3nov n ASN 148 N 5.90 4.13 -4.67 1.61 3.02 -1.26 -4.86 115.26 119.13 3nov n ASN 148 Ca 0.00 -3.33 -0.41 0.00 -0.03 0.00 0.00 54.58 50.81 3nov n ASN 148 Cb 0.00 -0.70 -0.04 0.00 -0.61 0.00 0.00 39.78 38.43 3nov n ASN 148 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3nov s LEU 149 N -3.05 4.16 -0.15 3.41 2.96 -0.68 -1.81 118.68 123.53 3nov s LEU 149 Ca 0.51 1.09 0.00 0.00 -0.22 0.00 0.00 54.13 55.51 3nov s LEU 149 Cb 0.42 -3.16 0.03 0.00 0.50 0.00 0.00 46.19 43.98 3nov s LEU 149 CO 0.10 -0.38 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.88 3nov s LEU 150 N 2.13 1.63 -0.13 -0.68 1.02 -0.37 -1.07 118.68 121.22 3nov s LEU 150 Ca 0.36 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 54.00 3nov s LEU 150 Cb -0.16 -1.07 -0.01 0.00 0.02 0.00 0.00 46.19 44.96 3nov s LEU 150 CO 0.12 -0.10 -0.14 0.42 0.02 0.00 0.00 176.35 176.67 3nov s THR 151 N 1.55 2.90 -0.13 5.49 -4.23 -0.21 -1.83 115.64 119.17 3nov s THR 151 Ca 0.04 -0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 59.78 3nov s THR 151 Cb -0.13 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 3nov s THR 151 CO -0.09 0.52 0.07 -0.83 -0.54 0.00 0.00 174.62 173.75 3nov s GLY 152 N 0.46 1.97 -0.05 3.99 0.00 -0.07 -0.68 107.32 112.95 3nov s GLY 152 Ca -0.10 -0.73 -0.26 0.00 0.00 0.00 0.00 44.72 43.63 3nov s GLY 152 CO 0.05 -0.29 1.13 -1.33 0.00 0.00 0.00 173.10 172.66 3nov h GLY 153 N 5.64 -0.03 -1.62 0.20 0.00 -1.23 0.76 103.07 106.79 3nov h GLY 153 Ca -0.47 0.01 -0.56 0.00 0.00 0.00 0.00 47.33 46.31 3nov h GLY 153 CO 0.61 -0.01 -0.40 -0.32 0.00 0.00 0.00 176.54 176.43 3nov s GLY 154 N -3.38 2.32 0.29 4.60 0.00 -1.26 -3.08 107.32 106.81 3nov s GLY 154 Ca -0.16 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 42.87 3nov s GLY 154 CO 0.65 -1.88 1.89 1.19 0.00 0.00 0.00 173.10 174.96 3nov h ILE 155 N 1.08 1.05 -0.53 0.90 2.10 -1.98 -0.87 117.51 119.25 3nov h ILE 155 Ca -0.40 -0.37 0.00 0.00 1.08 0.00 0.00 64.86 65.17 3nov h ILE 155 Cb 1.28 -0.11 0.00 0.00 -1.09 0.00 0.00 36.82 36.90 3nov h ILE 155 CO 0.62 0.19 0.00 0.35 -1.08 0.00 0.00 178.15 178.24 3nov n THR 156 N -4.51 1.88 0.12 2.19 -2.24 -1.26 -3.96 114.28 106.50 3nov n THR 156 Ca 0.15 -1.31 0.10 0.00 -2.27 0.00 0.00 64.05 60.71 3nov n THR 156 Cb 0.22 0.08 0.59 0.00 -2.10 0.00 0.00 70.33 69.12 3nov n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nov h ALA 157 N 3.38 2.02 0.00 6.98 0.00 -1.51 -0.13 119.26 129.99 3nov h ALA 157 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3nov h ALA 157 Cb 1.39 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3nov h ALA 157 CO 0.22 -0.07 -0.22 0.78 0.00 0.00 0.00 179.25 179.97 3nov h GLY 158 N 0.16 0.00 0.98 0.00 0.00 -1.80 -0.13 103.07 102.29 3nov h GLY 158 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3nov h GLY 158 CO -0.02 0.00 0.24 -2.22 0.00 0.00 0.00 176.54 174.55 3nov h ILE 159 N 0.00 1.13 0.02 2.60 2.04 -1.30 0.33 117.51 122.33 3nov h ILE 159 Ca -0.00 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 3nov h ILE 159 Cb 0.39 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3nov h ILE 159 CO 0.03 0.13 -0.01 0.44 0.00 0.00 0.00 178.15 178.73 3nov h ASP 160 N 0.53 -0.03 0.94 1.72 3.32 -1.38 -3.05 116.42 118.47 3nov h ASP 160 Ca 0.14 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 3nov h ASP 160 Cb -0.00 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3nov h ASP 160 CO -0.03 0.35 -0.12 2.19 -1.72 0.00 0.00 179.24 179.91 3nov h PHE 161 N -0.41 0.00 -0.65 4.55 -0.00 -1.05 -2.05 116.94 117.33 3nov h PHE 161 Ca -0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.97 58.01 3nov h PHE 161 Cb 0.39 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 36.30 3nov h PHE 161 CO 0.05 0.12 0.43 0.00 -0.00 0.00 0.00 178.31 178.91 3nov h ALA 162 N 1.88 1.68 -0.16 12.09 0.00 -0.82 -0.02 119.26 133.90 3nov h ALA 162 Ca -0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3nov h ALA 162 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3nov h ALA 162 CO 0.02 0.24 -0.42 -0.07 0.00 0.00 0.00 179.25 179.01 3nov h LEU 163 N 0.73 0.40 -0.25 0.00 3.38 -1.28 0.31 115.31 118.60 3nov h LEU 163 Ca 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3nov h LEU 163 Cb 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3nov h LEU 163 CO -0.08 0.78 0.10 0.74 0.09 0.00 0.00 178.44 180.08 3nov h THR 164 N 0.31 1.17 -0.79 0.22 2.02 -1.25 -1.76 112.91 112.84 3nov h THR 164 Ca 0.03 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.69 3nov h THR 164 Cb 0.88 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 3nov h THR 164 CO 0.07 0.18 0.51 -0.07 0.37 0.00 0.00 175.52 176.58 3nov h LEU 165 N 0.26 0.87 -0.62 2.58 3.38 -0.88 -2.03 115.31 118.87 3nov h LEU 165 Ca 0.08 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3nov h LEU 165 Cb 0.18 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 3nov h LEU 165 CO -0.01 0.62 0.30 0.00 0.09 0.00 0.00 178.44 179.44 3nov h ALA 166 N 1.31 0.83 -0.31 1.53 0.00 -0.69 0.30 119.26 122.23 3nov h ALA 166 Ca 0.30 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 3nov h ALA 166 Cb -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3nov h ALA 166 CO -0.08 -0.07 -0.16 0.00 0.00 0.00 0.00 179.25 178.94 3nov h ALA 167 N 1.37 1.15 0.17 0.00 0.00 -0.69 -1.05 119.26 120.21 3nov h ALA 167 Ca 0.29 -0.30 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 3nov h ALA 167 Cb 0.27 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.93 3nov h ALA 167 CO -0.23 0.53 -1.58 0.93 0.00 0.00 0.00 179.25 178.91 3nov h GLU 168 N 0.50 0.37 -0.22 0.00 5.08 -0.91 -2.72 114.58 116.68 3nov h GLU 168 Ca 0.09 -0.63 -0.12 0.00 -1.00 0.00 0.00 59.36 57.70 3nov h GLU 168 Cb 0.56 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3nov h GLU 168 CO 0.04 1.27 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.88 3nov h LEU 169 N 0.10 0.50 0.00 1.33 3.38 -0.94 -3.44 115.31 116.24 3nov h LEU 169 Ca -0.27 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3nov h LEU 169 Cb 2.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.69 3nov h LEU 169 CO 0.20 0.82 0.00 0.49 0.09 0.00 0.00 178.44 180.04 3nov n PHE 170 N -4.05 0.00 -3.73 1.13 3.72 -0.40 -5.09 117.46 109.04 3nov n PHE 170 Ca -0.01 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.35 3nov n PHE 170 Cb 0.48 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.01 3nov n PHE 170 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3nov s ASP 171 N 0.61 -0.20 0.25 4.37 1.47 -1.03 -4.96 116.67 117.17 3nov s ASP 171 Ca 0.00 -0.36 -0.06 0.00 1.18 0.00 0.00 52.55 53.31 3nov s ASP 171 Cb 0.00 0.49 0.29 0.00 -0.34 0.00 0.00 42.92 43.36 3nov s ASP 171 CO 0.00 -0.89 1.91 0.00 0.68 0.00 0.00 175.17 176.87 3nov h ALA 172 N 2.00 1.27 -0.52 2.11 0.00 -1.87 -2.22 119.26 120.03 3nov h ALA 172 Ca -0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3nov h ALA 172 Cb 1.23 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3nov h ALA 172 CO 0.26 0.56 0.30 0.00 0.00 0.00 0.00 179.25 180.37 3nov h ALA 173 N 1.38 1.54 -0.25 0.00 0.00 -1.96 0.03 119.26 120.00 3nov h ALA 173 Ca 0.38 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3nov h ALA 173 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3nov h ALA 173 CO -0.11 0.39 -0.07 1.15 0.00 0.00 0.00 179.25 180.61 3nov h THR 174 N 0.72 1.29 -0.50 0.00 2.02 -1.78 0.31 112.91 114.97 3nov h THR 174 Ca 0.19 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.27 3nov h THR 174 Cb -0.00 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 3nov h THR 174 CO -0.03 0.34 0.32 0.00 0.37 0.00 0.00 175.52 176.52 3nov h ALA 175 N 0.76 0.63 -0.69 6.16 0.00 -0.93 -0.80 119.26 124.37 3nov h ALA 175 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3nov h ALA 175 Cb 0.55 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3nov h ALA 175 CO 0.03 0.09 0.25 1.96 0.00 0.00 0.00 179.25 181.58 3nov h GLN 176 N 0.67 1.05 -0.57 0.00 4.20 -0.92 -0.77 115.11 118.78 3nov h GLN 176 Ca 0.18 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.71 3nov h GLN 176 Cb -0.06 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.52 3nov h GLN 176 CO -0.04 0.89 0.36 -0.09 -0.67 0.00 0.00 178.83 179.28 3nov h ARG 177 N 1.00 0.69 -0.42 1.46 2.43 -0.55 -0.40 114.38 118.60 3nov h ARG 177 Ca 0.23 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3nov h ARG 177 Cb 0.25 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3nov h ARG 177 CO -0.01 0.46 0.09 0.28 -1.51 0.00 0.00 179.97 179.27 3nov h VAL 178 N 0.71 1.24 -0.97 0.20 2.07 -0.86 0.15 116.25 118.78 3nov h VAL 178 Ca 0.22 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.96 3nov h VAL 178 Cb -0.01 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 3nov h VAL 178 CO -0.08 0.29 0.63 -0.61 0.02 0.00 0.00 177.57 177.82 3nov h GLN 179 N 0.55 1.18 -0.12 1.57 4.15 -0.74 -0.73 115.11 120.97 3nov h GLN 179 Ca 0.13 -0.07 -0.16 0.00 0.77 0.00 0.00 58.65 59.32 3nov h GLN 179 Cb 0.33 -0.27 0.01 0.00 0.21 0.00 0.00 27.48 27.77 3nov h GLN 179 CO 0.00 0.78 -0.56 1.25 -1.93 0.00 0.00 178.83 178.38 3nov h LEU 180 N 1.21 0.70 -0.95 -2.39 5.85 -0.76 0.32 115.31 119.29 3nov h LEU 180 Ca 0.39 -0.63 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 3nov h LEU 180 Cb 0.03 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3nov h LEU 180 CO -0.13 1.22 0.30 1.56 -0.34 0.00 0.00 178.44 181.05 3nov h GLN 181 N 0.22 1.06 0.00 1.25 4.20 -0.47 -2.00 115.11 119.37 3nov h GLN 181 Ca -0.04 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.47 3nov h GLN 181 Cb 1.20 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.79 3nov h GLN 181 CO 0.12 0.85 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.92 3nov h LEU 182 N 1.04 0.00 -2.00 1.46 3.38 -1.15 -3.48 115.31 114.56 3nov h LEU 182 Ca 0.25 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.92 3nov h LEU 182 Cb 0.17 0.00 0.18 0.00 0.09 0.00 0.00 40.66 41.11 3nov h LEU 182 CO -0.02 0.14 -0.80 1.21 0.09 0.00 0.00 178.44 179.05 3nov n GLU 183 N -3.15 -4.69 -2.78 1.13 2.13 -0.00 -4.94 120.64 108.34 3nov n GLU 183 Ca 0.03 0.85 -0.43 0.00 0.66 0.00 0.00 57.16 58.27 3nov n GLU 183 Cb 0.56 -5.82 -0.04 0.00 0.27 0.00 0.00 31.44 26.41 3nov n GLU 183 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3nov s TYR 184 N -3.37 2.64 -0.41 4.31 5.04 -0.57 -4.90 117.35 120.09 3nov s TYR 184 Ca 0.20 -0.22 0.08 0.00 -2.44 0.00 0.00 57.07 54.68 3nov s TYR 184 Cb -0.03 -4.29 0.25 0.00 0.35 0.00 0.00 41.96 38.25 3nov s TYR 184 CO 0.73 -1.62 0.61 0.00 -1.34 0.00 0.00 175.55 173.92 3nov n ALA 185 N 7.97 1.63 -1.77 3.97 0.00 -1.26 -4.93 120.51 126.12 3nov n ALA 185 Ca -0.00 -2.99 -0.36 0.00 0.00 0.00 0.00 53.44 50.09 3nov n ALA 185 Cb 0.47 -0.92 0.01 0.00 0.00 0.00 0.00 19.45 19.00 3nov n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3nov s PRO 186 N -0.85 3.45 -0.50 0.00 0.04 -1.26 -5.01 135.00 130.87 3nov s PRO 186 Ca 0.34 1.78 0.07 0.00 0.04 0.00 0.00 61.00 63.23 3nov s PRO 186 Cb 0.19 -2.20 0.19 0.00 0.04 0.00 0.00 34.50 32.72 3nov s PRO 186 CO -0.14 -0.81 0.72 0.00 0.04 0.00 0.00 177.00 176.82 3nov s ALA 187 N -1.60 -2.18 0.46 8.56 0.00 -1.26 -5.15 121.76 120.60 3nov s ALA 187 Ca 0.69 -0.33 -0.24 0.00 0.00 0.00 0.00 51.96 52.08 3nov s ALA 187 Cb -0.29 -2.73 -0.07 0.00 0.00 0.00 0.00 23.12 20.03 3nov s ALA 187 CO 0.33 -2.24 1.34 -2.14 0.00 0.00 0.00 175.76 173.05 3nov s PRO 188 N 0.99 3.63 0.00 0.00 0.02 -1.26 -4.91 135.00 133.47 3nov s PRO 188 Ca 0.28 2.22 0.29 0.00 0.02 0.00 0.00 61.00 63.81 3nov s PRO 188 Cb -0.00 -2.55 1.61 0.00 0.02 0.00 0.00 34.50 33.58 3nov s PRO 188 CO -0.05 -0.79 2.05 -0.35 -0.33 0.00 0.00 177.00 177.52 3nov n PRO 189 N -0.36 1.15 -4.24 5.54 -0.04 -1.26 -4.80 135.00 130.99 3nov n PRO 189 Ca 0.06 -0.22 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 3nov n PRO 189 Cb 0.44 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 3nov n PRO 189 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3nov s PHE 190 N -1.99 1.19 -0.40 0.54 0.08 -1.26 -5.07 117.98 111.06 3nov s PHE 190 Ca 0.43 -0.93 0.05 0.00 0.12 0.00 0.00 56.93 56.60 3nov s PHE 190 Cb 0.21 -0.66 0.43 0.00 -0.57 0.00 0.00 43.02 42.42 3nov s PHE 190 CO 0.34 -0.12 1.21 -1.71 -0.10 0.00 0.00 175.22 174.84 3nov n ASN 191 N -0.21 5.02 -1.03 1.36 5.15 -1.26 -4.76 115.26 119.53 3nov n ASN 191 Ca -0.08 -3.74 0.02 0.00 -0.60 0.00 0.00 54.58 50.18 3nov n ASN 191 Cb 0.62 -0.46 0.23 0.00 -0.53 0.00 0.00 39.78 39.64 3nov n ASN 191 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3nov n ALA 192 N -0.59 3.64 1.58 5.20 0.00 -1.26 -3.56 120.51 125.52 3nov n ALA 192 Ca 0.43 -2.71 0.11 0.00 0.00 0.00 0.00 53.44 51.27 3nov n ALA 192 Cb 0.77 -0.74 0.50 0.00 0.00 0.00 0.00 19.45 19.97 3nov n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3nov n GLY 193 N -0.84 -0.29 2.97 0.00 0.00 -1.26 -4.62 105.19 101.15 3nov n GLY 193 Ca 0.28 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 3nov n GLY 193 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3nov s SER 194 N -1.65 0.52 0.18 1.61 0.15 -1.26 -5.02 113.70 108.22 3nov s SER 194 Ca 0.33 -0.21 0.18 0.00 0.70 0.00 0.00 55.95 56.95 3nov s SER 194 Cb 0.17 -0.02 0.81 0.00 -1.71 0.00 0.00 66.02 65.27 3nov s SER 194 CO 0.26 -0.04 1.55 -0.81 1.20 0.00 0.00 173.24 175.41 3nov n PRO 195 N 2.54 0.11 0.07 5.44 -0.04 -1.26 -1.21 135.00 140.65 3nov n PRO 195 Ca -0.16 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 3nov n PRO 195 Cb 0.57 -1.76 0.22 0.00 -0.04 0.00 0.00 33.50 32.49 3nov n PRO 195 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3nov n ASP 196 N -1.98 0.71 -0.00 3.54 8.00 -1.26 -4.26 116.55 121.30 3nov n ASP 196 Ca 0.01 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.71 3nov n ASP 196 Cb 0.14 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.22 3nov n ASP 196 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3nov n THR 197 N -2.12 0.02 -1.50 -3.53 -2.24 -0.71 -5.03 114.28 99.18 3nov n THR 197 Ca 0.04 -0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.44 3nov n THR 197 Cb 0.43 0.10 0.08 0.00 -2.10 0.00 0.00 70.33 68.84 3nov n THR 197 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nov s ALA 198 N -2.09 2.23 0.52 6.98 0.00 -0.35 -4.70 121.76 124.36 3nov s ALA 198 Ca -0.01 0.66 -0.22 0.00 0.00 0.00 0.00 51.96 52.39 3nov s ALA 198 Cb 0.01 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 3nov s ALA 198 CO 0.06 -1.68 1.28 -2.30 0.00 0.00 0.00 175.76 173.12 3nov n PRO 199 N -2.78 1.64 -0.30 0.00 -0.02 -1.26 -4.79 135.00 127.49 3nov n PRO 199 Ca 0.12 0.60 0.08 0.00 -2.02 0.00 0.00 63.50 62.27 3nov n PRO 199 Cb 0.51 -2.46 0.30 0.00 -0.02 0.00 0.00 33.50 31.83 3nov n PRO 199 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3nov h ALA 200 N 1.46 1.65 -0.77 3.55 0.00 -1.93 -0.52 119.26 122.70 3nov h ALA 200 Ca -0.50 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 3nov h ALA 200 Cb 1.31 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3nov h ALA 200 CO 0.57 0.15 0.32 0.66 0.00 0.00 0.00 179.25 180.94 3nov h SER 201 N 0.87 1.05 -0.55 0.00 4.64 -2.00 -0.49 113.55 117.08 3nov h SER 201 Ca 0.44 -0.16 -0.10 0.00 -0.47 0.00 0.00 61.79 61.50 3nov h SER 201 Cb 0.48 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3nov h SER 201 CO -0.20 0.93 -0.06 0.58 -0.87 0.00 0.00 176.83 177.21 3nov h VAL 202 N 1.12 1.27 -0.58 0.95 2.07 -1.50 -0.93 116.25 118.65 3nov h VAL 202 Ca 0.26 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 3nov h VAL 202 Cb 0.20 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3nov h VAL 202 CO -0.02 0.43 0.30 0.58 0.02 0.00 0.00 177.57 178.87 3nov h VAL 203 N 0.89 1.20 -0.53 2.57 2.07 -0.80 -0.32 116.25 121.34 3nov h VAL 203 Ca 0.15 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3nov h VAL 203 Cb 0.62 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3nov h VAL 203 CO 0.04 0.22 0.27 -0.61 0.02 0.00 0.00 177.57 177.51 3nov h GLN 204 N 0.78 0.74 -0.40 1.57 4.15 -0.89 0.52 115.11 121.59 3nov h GLN 204 Ca 0.20 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.55 3nov h GLN 204 Cb 0.08 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3nov h GLN 204 CO -0.03 0.60 0.20 1.96 -1.93 0.00 0.00 178.83 179.63 3nov h GLN 205 N 0.70 0.39 -0.64 1.69 1.08 -0.86 -0.72 115.11 116.75 3nov h GLN 205 Ca 0.18 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 57.28 3nov h GLN 205 Cb 0.08 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 3nov h GLN 205 CO -0.03 0.26 0.10 0.00 -0.95 0.00 0.00 178.83 178.22 3nov h ALA 206 N 1.21 0.86 -0.17 3.87 0.00 -0.60 -1.18 119.26 123.25 3nov h ALA 206 Ca 0.17 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 3nov h ALA 206 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3nov h ALA 206 CO -0.12 0.62 -0.44 0.00 0.00 0.00 0.00 179.25 179.31 3nov h ARG 207 N 0.98 0.41 -0.36 0.00 3.08 -0.65 -0.90 114.38 116.95 3nov h ARG 207 Ca 0.20 -0.22 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 3nov h ARG 207 Cb 0.44 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 3nov h ARG 207 CO 0.01 0.78 -0.32 1.96 -1.07 0.00 0.00 179.97 181.33 3nov h GLN 208 N 0.34 0.79 0.00 0.04 4.20 -0.90 -2.70 115.11 116.88 3nov h GLN 208 Ca 0.03 -0.37 -0.09 0.00 0.06 0.00 0.00 58.65 58.27 3nov h GLN 208 Cb 0.91 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 3nov h GLN 208 CO 0.08 1.00 -0.45 0.00 -0.67 0.00 0.00 178.83 178.79 3nov h ARG 209 N 0.67 0.00 -0.01 1.46 3.08 -0.90 -2.83 114.38 115.85 3nov h ARG 209 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3nov h ARG 209 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3nov h ARG 209 CO 0.08 0.45 -0.18 0.00 -1.07 0.00 0.00 179.97 179.25 3nov n ALA 210 N -2.38 2.92 -0.15 0.04 0.00 -0.37 -4.54 120.51 116.04 3nov n ALA 210 Ca -0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 53.44 52.98 3nov n ALA 210 Cb 0.51 -1.17 0.03 0.00 0.00 0.00 0.00 19.45 18.83 3nov n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3nov h ALA 211 N 3.84 0.58 -0.45 0.00 0.00 -1.22 0.09 119.26 122.10 3nov h ALA 211 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3nov h ALA 211 Cb 0.48 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3nov h ALA 211 CO 0.00 -0.10 0.19 0.22 0.00 0.00 0.00 179.25 179.56 3nov h ASP 212 N 0.48 0.60 -0.56 0.00 3.58 -1.81 -0.32 116.42 118.41 3nov h ASP 212 Ca 0.19 -0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 3nov h ASP 212 Cb 0.08 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 3nov h ASP 212 CO -0.12 0.59 0.11 -1.28 -2.88 0.00 0.00 179.24 175.66 3nov h SER 213 N 0.58 0.86 -0.53 2.28 0.87 -1.79 -2.45 113.55 113.36 3nov h SER 213 Ca 0.15 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 3nov h SER 213 Cb 0.16 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3nov h SER 213 CO -0.02 0.89 0.29 0.25 -0.53 0.00 0.00 176.83 177.71 3nov h LEU 214 N 0.80 0.67 -0.42 2.23 5.85 -0.71 0.52 115.31 124.25 3nov h LEU 214 Ca 0.17 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3nov h LEU 214 Cb 0.38 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 3nov h LEU 214 CO 0.01 0.57 0.21 -0.74 -0.34 0.00 0.00 178.44 178.15 3nov h HIS 215 N 0.71 0.38 -0.34 1.25 2.76 -0.93 0.14 115.15 119.12 3nov h HIS 215 Ca 0.19 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.32 3nov h HIS 215 Cb 0.06 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 3nov h HIS 215 CO -0.01 0.20 0.01 -0.22 -1.30 0.00 0.00 177.93 176.61 3nov h LYS 216 N 0.42 0.60 -0.08 5.26 1.63 -1.24 -2.54 116.57 120.63 3nov h LYS 216 Ca 0.18 -0.18 -0.06 0.00 -0.85 0.00 0.00 60.65 59.74 3nov h LYS 216 Cb 0.09 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 3nov h LYS 216 CO -0.13 0.71 -0.22 -0.09 -3.45 0.00 0.00 179.45 176.27 3nov h ARG 217 N 0.41 0.12 -0.34 1.90 9.65 -0.54 -1.42 114.38 124.16 3nov h ARG 217 Ca 0.10 -0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 58.90 3nov h ARG 217 Cb 0.43 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 3nov h ARG 217 CO 0.02 0.34 0.04 -0.09 2.80 0.00 0.00 179.97 183.08 3nov h ARG 218 N 0.12 0.56 -0.43 0.20 2.43 -0.60 0.70 114.38 117.35 3nov h ARG 218 Ca 0.02 -0.16 0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3nov h ARG 218 Cb 0.46 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 3nov h ARG 218 CO 0.03 0.65 0.20 0.93 -1.51 0.00 0.00 179.97 180.28 3nov h GLU 219 N 0.39 0.40 -0.43 0.20 5.08 -0.97 -0.91 114.58 118.33 3nov h GLU 219 Ca 0.10 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3nov h GLU 219 Cb 0.37 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3nov h GLU 219 CO 0.01 0.26 0.27 0.82 -1.00 0.00 0.00 179.01 179.37 3nov h ILE 220 N 0.41 1.13 -0.66 3.13 2.04 -1.13 -2.33 117.51 120.11 3nov h ILE 220 Ca 0.19 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3nov h ILE 220 Cb 0.12 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3nov h ILE 220 CO -0.15 0.13 0.42 0.74 0.00 0.00 0.00 178.15 179.30 3nov h THR 221 N 0.57 1.18 -0.39 -0.27 2.02 -0.43 -0.36 112.91 115.23 3nov h THR 221 Ca 0.16 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 66.89 3nov h THR 221 Cb -0.02 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.61 3nov h THR 221 CO -0.03 0.17 -0.16 -0.07 0.37 0.00 0.00 175.52 175.81 3nov h LEU 222 N 0.89 0.71 -0.55 2.58 4.07 -1.03 0.11 115.31 122.09 3nov h LEU 222 Ca 0.24 -0.22 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 3nov h LEU 222 Cb -0.08 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.44 3nov h LEU 222 CO -0.05 0.88 0.22 0.03 -1.08 0.00 0.00 178.44 178.44 3nov h ARG 223 N 0.64 0.82 -0.59 1.13 3.08 -1.00 -1.64 114.38 116.83 3nov h ARG 223 Ca 0.10 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3nov h ARG 223 Cb 0.63 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 3nov h ARG 223 CO 0.04 0.71 0.32 0.00 -1.07 0.00 0.00 179.97 179.98 3nov h ALA 224 N 1.07 0.75 -0.63 0.04 0.00 -0.62 -2.01 119.26 117.87 3nov h ALA 224 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3nov h ALA 224 Cb 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3nov h ALA 224 CO -0.02 0.27 0.36 0.00 0.00 0.00 0.00 179.25 179.86 3nov h ALA 225 N 1.15 0.80 -0.50 0.00 0.00 -0.65 -2.45 119.26 117.61 3nov h ALA 225 Ca 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3nov h ALA 225 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3nov h ALA 225 CO -0.03 0.30 0.15 0.00 0.00 0.00 0.00 179.25 179.67 3nov h ALA 226 N 1.18 1.34 -0.44 0.00 0.00 -1.00 -0.08 119.26 120.26 3nov h ALA 226 Ca 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3nov h ALA 226 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3nov h ALA 226 CO -0.04 0.48 0.17 0.00 0.00 0.00 0.00 179.25 179.85 3nov h ARG 227 N 0.72 0.67 -0.79 0.00 3.08 -1.09 -1.98 114.38 114.99 3nov h ARG 227 Ca 0.17 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3nov h ARG 227 Cb 0.21 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 3nov h ARG 227 CO -0.01 0.63 0.32 -0.07 -1.07 0.00 0.00 179.97 179.77 3nov h LEU 228 N 0.58 1.08 -1.72 3.04 3.38 -0.88 -2.64 115.31 118.15 3nov h LEU 228 Ca 0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3nov h LEU 228 Cb 0.21 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3nov h LEU 228 CO -0.01 0.95 -0.11 0.00 0.09 0.00 0.00 178.44 179.36 3nov h ALA 229 N 1.20 1.13 -0.02 1.53 0.00 -0.80 -3.52 119.26 118.77 3nov h ALA 229 Ca 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3nov h ALA 229 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3nov h ALA 229 CO -0.02 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.37