#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpo s GLY 3 N 0.00 1.68 0.09 5.00 0.00 0.47 -4.78 107.32 109.78 2qpo s GLY 3 Ca 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.51 2qpo s GLY 3 CO 0.00 -0.02 0.08 0.54 0.00 0.00 0.00 173.10 173.70 2qpo s LYS 4 N -4.71 2.86 -0.22 2.90 1.02 -1.26 -4.79 119.74 115.55 2qpo s LYS 4 Ca 0.52 -0.71 -0.04 0.00 0.02 0.00 0.00 55.97 55.76 2qpo s LYS 4 Cb -0.11 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 2qpo s LYS 4 CO 0.45 0.56 -0.03 -1.17 -0.92 0.00 0.00 175.35 174.24 2qpo s LEU 5 N -2.43 3.02 -0.18 3.17 2.96 -1.26 -1.34 118.68 122.62 2qpo s LEU 5 Ca 0.29 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.81 2qpo s LEU 5 Cb -0.12 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 2qpo s LEU 5 CO 0.22 0.00 0.04 -0.89 -1.32 0.00 0.00 176.35 174.40 2qpo s THR 6 N 1.34 4.54 -0.15 3.68 2.01 -0.69 0.05 115.64 126.42 2qpo s THR 6 Ca 0.04 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 61.94 2qpo s THR 6 Cb -0.14 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.33 2qpo s THR 6 CO -0.01 0.46 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.49 2qpo s VAL 7 N 0.48 2.21 -0.25 3.82 1.01 0.00 -1.61 120.40 126.06 2qpo s VAL 7 Ca 0.02 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 2qpo s VAL 7 Cb -0.13 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 2qpo s VAL 7 CO 0.01 0.54 0.19 -0.63 0.00 0.00 0.00 175.10 175.21 2qpo s ILE 8 N 0.88 5.33 0.23 2.22 1.01 -0.09 0.72 121.20 131.50 2qpo s ILE 8 Ca -0.05 0.21 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 2qpo s ILE 8 Cb -0.15 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 2qpo s ILE 8 CO -0.03 0.30 0.30 0.28 0.00 0.00 0.00 174.94 175.79 2qpo s THR 9 N 1.36 0.00 -5.00 2.92 -1.32 0.29 -1.93 115.64 111.97 2qpo s THR 9 Ca 0.08 -1.73 0.00 0.00 -1.21 0.00 0.00 61.69 58.83 2qpo s THR 9 Cb -0.15 -2.39 0.00 0.00 -1.51 0.00 0.00 72.50 68.46 2qpo s THR 9 CO 0.07 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 2qpo n GLY 10 N -0.34 -0.74 3.89 6.08 0.00 -1.25 0.72 105.19 113.55 2qpo n GLY 10 Ca 0.01 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 2qpo n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qpo s PRO 11 N -1.81 0.62 0.50 1.61 0.04 -1.25 -3.62 135.00 131.08 2qpo s PRO 11 Ca 0.00 -0.29 -0.24 0.00 0.04 0.00 0.00 61.00 60.51 2qpo s PRO 11 Cb 0.00 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.64 2qpo s PRO 11 CO 0.00 -2.44 1.39 -1.64 0.04 0.00 0.00 177.00 174.34 2qpo s MET 12 N -5.79 3.43 -0.91 4.56 -1.94 -1.26 -3.19 119.30 114.19 2qpo s MET 12 Ca 0.72 2.32 0.00 0.00 -1.71 0.00 0.00 55.69 57.02 2qpo s MET 12 Cb -0.06 -2.46 0.00 0.00 2.01 0.00 0.00 34.83 34.32 2qpo s MET 12 CO 0.53 -0.99 0.00 0.66 -0.01 0.00 0.00 175.02 175.21 2qpo n TYR 13 N -0.59 -0.20 0.97 -0.03 4.01 -1.26 -4.58 117.16 115.48 2qpo n TYR 13 Ca 0.08 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.94 2qpo n TYR 13 Cb 0.43 -2.06 0.23 0.00 -0.31 0.00 0.00 39.34 37.63 2qpo n TYR 13 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2qpo n SER 14 N 0.36 2.69 0.00 7.72 3.41 -1.19 -4.56 113.62 122.05 2qpo n SER 14 Ca -0.10 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 2qpo n SER 14 Cb 0.43 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 2qpo n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qpo n GLY 15 N 1.33 0.90 0.18 5.00 0.00 -1.26 -4.38 105.19 106.96 2qpo n GLY 15 Ca 0.16 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 2qpo n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qpo h LYS 16 N 0.00 0.56 0.01 1.61 1.57 -1.92 -1.76 116.57 116.65 2qpo h LYS 16 Ca 0.00 -0.22 -0.20 0.00 -1.87 0.00 0.00 60.65 58.37 2qpo h LYS 16 Cb 0.24 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2qpo h LYS 16 CO 0.00 0.76 -0.91 1.79 -0.57 0.00 0.00 179.45 180.52 2qpo h THR 17 N 0.33 1.57 -0.00 -0.16 1.35 -1.96 -1.58 112.91 112.45 2qpo h THR 17 Ca 0.07 -2.87 -0.13 0.00 -0.55 0.00 0.00 66.41 62.93 2qpo h THR 17 Cb 0.55 2.60 -0.02 0.00 -1.73 0.00 0.00 68.15 69.55 2qpo h THR 17 CO 0.03 0.83 -0.62 0.71 -0.25 0.00 0.00 175.52 176.22 2qpo h THR 18 N 0.05 1.44 0.09 6.82 1.35 -1.97 -0.98 112.91 119.71 2qpo h THR 18 Ca -0.03 -2.12 -0.00 0.00 -0.55 0.00 0.00 66.41 63.70 2qpo h THR 18 Cb 1.58 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 2qpo h THR 18 CO 0.13 0.61 -0.05 -0.08 -0.25 0.00 0.00 175.52 175.88 2qpo h GLU 19 N 0.01 -0.12 0.09 4.72 4.57 -1.21 -1.97 114.58 120.66 2qpo h GLU 19 Ca -0.01 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2qpo h GLU 19 Cb 1.10 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.67 2qpo h GLU 19 CO 0.08 -0.01 -0.49 1.25 -1.18 0.00 0.00 179.01 178.66 2qpo h LEU 20 N -0.20 -1.47 -0.52 1.64 5.85 -0.98 -1.88 115.31 117.75 2qpo h LEU 20 Ca -0.01 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2qpo h LEU 20 Cb 0.17 0.55 0.00 0.00 0.37 0.00 0.00 40.66 41.75 2qpo h LEU 20 CO 0.02 -0.53 0.00 0.00 -0.34 0.00 0.00 178.44 177.59 2qpo n LEU 21 N -5.48 0.44 0.33 2.25 -0.00 -0.40 -1.82 117.00 112.32 2qpo n LEU 21 Ca -0.08 0.62 -0.17 0.00 -0.00 0.00 0.00 56.01 56.38 2qpo n LEU 21 Cb 0.40 -0.57 -0.09 0.00 -0.00 0.00 0.00 43.42 43.17 2qpo n LEU 21 CO 0.16 -0.49 0.64 -1.28 -0.00 0.00 0.00 177.39 176.42 2qpo h SER 22 N 0.00 -0.83 -0.86 1.45 0.87 -0.54 -0.92 113.55 112.72 2qpo h SER 22 Ca 0.00 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2qpo h SER 22 Cb 0.29 0.24 -0.05 0.00 -0.44 0.00 0.00 62.40 62.43 2qpo h SER 22 CO 0.00 -0.54 0.55 -0.26 -0.53 0.00 0.00 176.83 176.05 2qpo h PHE 23 N -0.86 1.02 -0.31 2.24 0.04 -1.21 -2.30 116.94 115.55 2qpo h PHE 23 Ca -0.07 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.79 2qpo h PHE 23 Cb 0.69 -0.33 -0.08 0.00 2.20 0.00 0.00 35.95 38.43 2qpo h PHE 23 CO -0.08 0.56 -0.27 0.28 -0.60 0.00 0.00 178.31 178.20 2qpo h VAL 24 N 1.04 0.33 -0.92 -0.55 2.07 -1.27 -2.09 116.25 114.85 2qpo h VAL 24 Ca 0.35 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.00 2qpo h VAL 24 Cb 0.06 0.33 -0.09 0.00 -1.52 0.00 0.00 31.29 30.08 2qpo h VAL 24 CO -0.14 0.00 0.54 -0.33 0.02 0.00 0.00 177.57 177.67 2qpo h GLU 25 N -0.24 0.80 -0.51 1.57 5.08 -0.74 -1.52 114.58 119.00 2qpo h GLU 25 Ca 0.16 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.41 2qpo h GLU 25 Cb 0.49 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2qpo h GLU 25 CO -0.45 0.53 0.08 0.82 -1.00 0.00 0.00 179.01 178.98 2qpo h ILE 26 N 0.82 1.23 -0.07 3.13 2.04 -0.88 -1.17 117.51 122.62 2qpo h ILE 26 Ca 0.48 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 2qpo h ILE 26 Cb 0.56 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2qpo h ILE 26 CO -0.30 0.32 -0.13 1.88 0.00 0.00 0.00 178.15 179.93 2qpo h TYR 27 N 0.77 0.26 -0.74 1.37 -1.99 -0.90 -2.11 116.97 113.63 2qpo h TYR 27 Ca 0.16 -0.09 0.04 0.00 2.00 0.00 0.00 58.73 60.84 2qpo h TYR 27 Cb 0.36 -0.05 -0.05 0.00 2.00 0.00 0.00 36.73 38.99 2qpo h TYR 27 CO 0.02 0.72 0.45 0.87 -0.00 0.00 0.00 178.16 180.22 2qpo h LYS 28 N -0.27 0.84 -0.98 4.88 1.57 -1.24 -0.31 116.57 121.06 2qpo h LYS 28 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2qpo h LYS 28 Cb 0.70 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 2qpo h LYS 28 CO 0.03 0.56 0.62 1.25 -0.57 0.00 0.00 179.45 181.33 2qpo h LEU 29 N 0.87 1.15 -0.00 2.94 6.46 -1.21 -1.11 115.31 124.40 2qpo h LEU 29 Ca 0.31 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 2qpo h LEU 29 Cb 0.08 -0.29 0.00 0.00 -0.73 0.00 0.00 40.66 39.72 2qpo h LEU 29 CO -0.14 0.86 -0.00 0.61 -0.62 0.00 0.00 178.44 179.15 2qpo n GLY 30 N -1.31 -1.02 2.60 3.75 0.00 -0.80 -4.91 105.19 103.51 2qpo n GLY 30 Ca 0.11 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 2qpo n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qpo n LYS 31 N -1.02 -3.38 -3.31 1.61 5.02 -0.42 -5.02 118.16 111.64 2qpo n LYS 31 Ca 0.23 0.61 -0.38 0.00 -2.02 0.00 0.00 58.31 56.76 2qpo n LYS 31 Cb 0.12 -4.84 -0.06 0.00 -0.02 0.00 0.00 35.03 30.22 2qpo n LYS 31 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2qpo s LYS 32 N -5.33 4.12 0.17 1.97 1.02 -0.25 -5.01 119.74 116.43 2qpo s LYS 32 Ca 0.21 0.65 -0.30 0.00 0.02 0.00 0.00 55.97 56.55 2qpo s LYS 32 Cb -0.09 -3.15 -0.08 0.00 -0.52 0.00 0.00 37.83 34.00 2qpo s LYS 32 CO 0.26 0.60 1.15 0.21 -0.92 0.00 0.00 175.35 176.64 2qpo s LYS 33 N -1.35 4.54 0.13 1.68 2.20 -1.26 -4.27 119.74 121.41 2qpo s LYS 33 Ca 0.31 1.78 0.08 0.00 -0.36 0.00 0.00 55.97 57.79 2qpo s LYS 33 Cb -0.18 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.83 2qpo s LYS 33 CO 0.19 -0.02 -0.20 0.14 -0.36 0.00 0.00 175.35 175.10 2qpo s VAL 34 N -0.05 1.76 -0.07 4.02 -7.23 -1.26 -1.75 120.40 115.82 2qpo s VAL 34 Ca 0.51 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 59.01 2qpo s VAL 34 Cb -0.31 -1.68 0.01 0.00 0.56 0.00 0.00 36.38 34.97 2qpo s VAL 34 CO 0.35 -0.16 -0.12 0.00 -0.31 0.00 0.00 175.10 174.86 2qpo s ALA 35 N -1.52 1.26 -0.08 1.32 0.00 -0.15 -4.99 121.76 117.61 2qpo s ALA 35 Ca 0.10 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.68 2qpo s ALA 35 Cb -0.08 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2qpo s ALA 35 CO 0.05 0.05 -0.22 0.08 0.00 0.00 0.00 175.76 175.73 2qpo s VAL 36 N 0.78 2.33 0.01 0.00 1.01 -1.26 -0.86 120.40 122.41 2qpo s VAL 36 Ca -0.12 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 60.94 2qpo s VAL 36 Cb -0.15 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 2qpo s VAL 36 CO 0.02 0.56 -0.11 -0.36 0.00 0.00 0.00 175.10 175.22 2qpo s PHE 37 N -0.05 0.93 0.09 5.22 0.08 0.09 -1.12 117.98 123.23 2qpo s PHE 37 Ca -0.06 -0.25 0.02 0.00 0.12 0.00 0.00 56.93 56.76 2qpo s PHE 37 Cb -0.15 -0.58 -0.04 0.00 -0.57 0.00 0.00 43.02 41.69 2qpo s PHE 37 CO 0.05 -0.01 -0.07 -1.59 -0.10 0.00 0.00 175.22 173.49 2qpo s LYS 38 N -0.63 0.78 -0.02 0.44 -2.85 -0.64 -1.41 119.74 115.42 2qpo s LYS 38 Ca 0.02 -1.20 0.00 0.00 -1.00 0.00 0.00 55.97 53.79 2qpo s LYS 38 Cb -0.06 -0.29 0.04 0.00 -2.06 0.00 0.00 37.83 35.47 2qpo s LYS 38 CO 0.00 0.01 0.83 -0.35 0.10 0.00 0.00 175.35 175.95 2qpo n PRO 39 N 0.34 1.13 -1.49 1.78 -0.04 -1.26 -1.96 135.00 133.50 2qpo n PRO 39 Ca -0.15 -0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 62.73 2qpo n PRO 39 Cb 0.59 -1.28 -0.09 0.00 -0.04 0.00 0.00 33.50 32.68 2qpo n PRO 39 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2qpo n GLU 59 N 0.24 0.61 -4.64 0.54 0.00 -1.26 -4.14 120.64 111.98 2qpo n GLU 59 Ca 0.02 0.07 -0.30 0.00 0.00 0.00 0.00 57.16 56.94 2qpo n GLU 59 Cb 0.44 -2.40 -0.13 0.00 0.00 0.00 0.00 31.44 29.36 2qpo n GLU 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qpo s ALA 60 N 9.61 2.56 -0.16 -1.84 0.00 -1.26 -4.68 121.76 125.99 2qpo s ALA 60 Ca 1.16 -1.23 -0.24 0.00 0.00 0.00 0.00 51.96 51.66 2qpo s ALA 60 Cb -0.80 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 2qpo s ALA 60 CO 0.42 0.57 0.76 -1.01 0.00 0.00 0.00 175.76 176.49 2qpo s HIS 61 N -0.94 3.43 -0.40 0.00 3.76 -0.27 -4.85 115.29 116.02 2qpo s HIS 61 Ca 0.15 1.16 -0.21 0.00 -0.15 0.00 0.00 55.06 56.01 2qpo s HIS 61 Cb -0.10 -2.92 0.01 0.00 1.11 0.00 0.00 32.58 30.68 2qpo s HIS 61 CO 0.05 -0.17 0.68 0.08 -0.85 0.00 0.00 174.74 174.53 2qpo s VAL 62 N 1.88 4.81 0.13 -0.90 1.01 -1.26 -1.61 120.40 124.46 2qpo s VAL 62 Ca 0.35 0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.86 2qpo s VAL 62 Cb -0.17 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2qpo s VAL 62 CO 0.13 -0.49 -0.21 0.27 0.00 0.00 0.00 175.10 174.79 2qpo s ILE 63 N 2.89 1.86 -0.11 2.22 -4.36 -0.83 -5.00 121.20 117.88 2qpo s ILE 63 Ca 0.26 -1.69 0.01 0.00 -0.26 0.00 0.00 60.65 58.97 2qpo s ILE 63 Cb -0.14 -1.72 -0.24 0.00 1.25 0.00 0.00 42.46 41.61 2qpo s ILE 63 CO 0.18 -0.10 0.39 1.21 0.24 0.00 0.00 174.94 176.86 2qpo n GLU 64 N 0.84 0.71 -4.45 0.37 2.13 -1.26 -4.48 120.64 114.50 2qpo n GLU 64 Ca -0.17 0.25 -0.24 0.00 0.66 0.00 0.00 57.16 57.66 2qpo n GLU 64 Cb 0.54 -1.71 -0.13 0.00 0.27 0.00 0.00 31.44 30.41 2qpo n GLU 64 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2qpo s ARG 65 N -2.56 1.20 0.62 5.31 0.52 -1.26 -4.80 118.95 117.97 2qpo s ARG 65 Ca -0.17 -0.99 0.32 0.00 -0.52 0.00 0.00 55.73 54.37 2qpo s ARG 65 Cb 0.07 -1.34 1.82 0.00 0.52 0.00 0.00 34.95 36.02 2qpo s ARG 65 CO 0.78 0.33 2.13 -1.35 0.02 0.00 0.00 175.30 177.20 2qpo h PRO 66 N 4.57 0.00 0.00 3.54 0.11 -1.93 -2.36 132.00 135.94 2qpo h PRO 66 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2qpo h PRO 66 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qpo h PRO 66 CO 0.42 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.60 2qpo n GLU 67 N -3.47 0.07 0.06 1.05 -0.58 -1.26 -2.63 120.64 113.89 2qpo n GLU 67 Ca -0.00 0.19 0.13 0.00 -0.42 0.00 0.00 57.16 57.06 2qpo n GLU 67 Cb 0.28 -1.60 0.49 0.00 -0.57 0.00 0.00 31.44 30.04 2qpo n GLU 67 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2qpo n GLU 68 N -1.72 0.16 -0.10 3.49 1.02 -0.89 -3.88 120.64 118.72 2qpo n GLU 68 Ca 0.05 0.13 -0.05 0.00 -0.02 0.00 0.00 57.16 57.27 2qpo n GLU 68 Cb 0.28 -1.69 0.14 0.00 -0.02 0.00 0.00 31.44 30.15 2qpo n GLU 68 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2qpo h MET 69 N 0.00 0.78 -0.95 3.49 2.86 -1.70 -3.24 114.93 116.17 2qpo h MET 69 Ca 0.00 -0.24 0.16 0.00 -2.06 0.00 0.00 59.70 57.56 2qpo h MET 69 Cb 0.64 -0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.15 2qpo h MET 69 CO 0.00 0.84 0.60 -0.09 1.06 0.00 0.00 176.91 179.32 2qpo h ARG 70 N 0.71 0.71 0.00 1.72 2.43 -1.80 -0.13 114.38 118.01 2qpo h ARG 70 Ca 0.13 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2qpo h ARG 70 Cb 0.55 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2qpo h ARG 70 CO 0.03 0.47 -0.05 -0.22 -1.51 0.00 0.00 179.97 178.69 2qpo h LYS 71 N 0.73 0.00 -0.29 0.20 3.64 -1.82 -2.71 116.57 116.32 2qpo h LYS 71 Ca 0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 2qpo h LYS 71 Cb 0.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2qpo h LYS 71 CO -0.26 0.05 0.00 0.66 -2.27 0.00 0.00 179.45 177.63 2qpo n TYR 72 N -3.90 0.38 -3.97 1.91 4.01 -0.10 -4.93 117.16 110.56 2qpo n TYR 72 Ca -0.03 -0.44 -0.35 0.00 -0.16 0.00 0.00 57.90 56.92 2qpo n TYR 72 Cb 0.14 -0.03 -0.13 0.00 -0.31 0.00 0.00 39.34 39.01 2qpo n TYR 72 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2qpo s ILE 73 N -0.98 3.76 0.30 -0.72 1.01 -0.95 -4.81 121.20 118.80 2qpo s ILE 73 Ca 0.20 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.54 2qpo s ILE 73 Cb 0.11 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 2qpo s ILE 73 CO 0.14 0.41 0.44 -1.61 0.00 0.00 0.00 174.94 174.32 2qpo s GLU 74 N 1.29 3.25 0.50 2.79 8.01 -1.26 -4.91 118.70 128.37 2qpo s GLU 74 Ca 0.04 -0.88 0.29 0.00 0.01 0.00 0.00 54.97 54.43 2qpo s GLU 74 Cb -0.15 -2.83 1.39 0.00 -4.31 0.00 0.00 34.13 28.23 2qpo s GLU 74 CO 0.00 0.19 1.85 1.05 0.01 0.00 0.00 175.26 178.37 2qpo h GLU 75 N 0.98 0.11 0.00 1.61 4.11 -1.99 -0.88 114.58 118.51 2qpo h GLU 75 Ca -0.48 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 58.86 2qpo h GLU 75 Cb 1.25 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2qpo h GLU 75 CO 0.56 0.07 -0.38 0.22 0.07 0.00 0.00 179.01 179.56 2qpo h ASP 76 N 0.11 0.00 -2.78 3.06 3.58 -1.99 -3.47 116.42 114.93 2qpo h ASP 76 Ca 0.48 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 57.40 2qpo h ASP 76 Cb 1.71 0.00 0.04 0.00 1.72 0.00 0.00 39.33 42.80 2qpo h ASP 76 CO -0.07 0.38 0.92 -0.89 -2.88 0.00 0.00 179.24 176.69 2qpo s THR 77 N -3.11 2.63 -0.33 2.25 2.01 -0.34 -4.54 115.64 114.21 2qpo s THR 77 Ca 0.04 0.40 0.04 0.00 0.31 0.00 0.00 61.69 62.49 2qpo s THR 77 Cb 0.08 -3.26 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 2qpo s THR 77 CO 0.72 0.03 0.33 0.54 -0.69 0.00 0.00 174.62 175.54 2qpo n ARG 78 N 4.27 3.78 -3.76 4.92 5.12 -0.72 -4.84 116.66 125.44 2qpo n ARG 78 Ca 0.14 -0.24 -0.15 0.00 -1.93 0.00 0.00 57.85 55.67 2qpo n ARG 78 Cb 0.38 -0.82 -0.16 0.00 -1.16 0.00 0.00 32.46 30.70 2qpo n ARG 78 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2qpo s GLY 79 N -1.10 0.09 -0.09 -0.13 0.00 -1.05 -1.86 107.32 103.17 2qpo s GLY 79 Ca 0.03 0.36 0.04 0.00 0.00 0.00 0.00 44.72 45.15 2qpo s GLY 79 CO 0.14 0.77 -0.23 0.14 0.00 0.00 0.00 173.10 173.93 2qpo s VAL 80 N 1.14 1.94 -0.10 1.40 1.01 -0.32 -0.97 120.40 124.50 2qpo s VAL 80 Ca -0.08 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 60.96 2qpo s VAL 80 Cb -0.13 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.59 2qpo s VAL 80 CO -0.03 0.54 -0.16 -0.36 0.00 0.00 0.00 175.10 175.08 2qpo s PHE 81 N 0.29 2.02 -0.10 5.22 0.08 -0.04 -0.97 117.98 124.48 2qpo s PHE 81 Ca -0.16 -0.92 0.01 0.00 0.12 0.00 0.00 56.93 55.98 2qpo s PHE 81 Cb -0.17 -1.44 0.02 0.00 -0.57 0.00 0.00 43.02 40.86 2qpo s PHE 81 CO 0.07 -0.45 -0.10 0.42 -0.10 0.00 0.00 175.22 175.06 2qpo s ILE 82 N 0.85 1.13 0.08 0.64 1.01 0.66 -0.73 121.20 124.84 2qpo s ILE 82 Ca -0.09 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.18 2qpo s ILE 82 Cb -0.15 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 2qpo s ILE 82 CO 0.00 0.37 0.11 -0.62 0.00 0.00 0.00 174.94 174.81 2qpo s ASP 83 N 1.25 5.69 -1.46 3.58 2.15 -0.50 -0.75 116.67 126.63 2qpo s ASP 83 Ca -0.03 0.04 -0.03 0.00 0.43 0.00 0.00 52.55 52.96 2qpo s ASP 83 Cb -0.14 -1.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.93 2qpo s ASP 83 CO -0.03 0.17 0.44 -0.62 -0.17 0.00 0.00 175.17 174.95 2qpo n GLU 84 N 0.37 -3.09 0.25 4.34 1.02 -0.24 -4.12 120.64 119.17 2qpo n GLU 84 Ca -0.08 0.37 0.17 0.00 -0.02 0.00 0.00 57.16 57.61 2qpo n GLU 84 Cb 0.52 -4.54 0.91 0.00 -0.02 0.00 0.00 31.44 28.31 2qpo n GLU 84 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2qpo h VAL 85 N -1.79 0.00 0.00 2.62 -1.51 -1.69 -2.23 116.25 111.65 2qpo h VAL 85 Ca -0.63 -0.03 -0.00 0.00 -1.23 0.00 0.00 66.70 64.81 2qpo h VAL 85 Cb 1.38 0.80 -0.00 0.00 -2.13 0.00 0.00 31.29 31.33 2qpo h VAL 85 CO 0.66 0.00 -0.01 0.06 -1.23 0.00 0.00 177.57 177.05 2qpo h GLN 86 N 0.00 0.00 0.00 5.19 -0.00 -1.85 -2.41 115.11 116.04 2qpo h GLN 86 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2qpo h GLN 86 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.51 2qpo h GLN 86 CO 0.00 0.01 -0.48 0.74 -0.00 0.00 0.00 178.83 179.09 2qpo h PHE 87 N 0.00 0.00 -4.27 0.06 0.04 -1.77 -3.44 116.94 107.56 2qpo h PHE 87 Ca -0.00 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.27 2qpo h PHE 87 Cb 0.02 0.00 0.07 0.00 2.20 0.00 0.00 35.95 38.24 2qpo h PHE 87 CO 0.00 0.00 0.38 -0.06 -0.60 0.00 0.00 178.31 178.03 2qpo s PHE 88 N -3.20 3.18 0.65 -0.55 0.08 -0.91 -5.04 117.98 112.19 2qpo s PHE 88 Ca 0.06 1.44 -0.16 0.00 0.12 0.00 0.00 56.93 58.39 2qpo s PHE 88 Cb 0.11 -2.89 -0.01 0.00 -0.57 0.00 0.00 43.02 39.66 2qpo s PHE 88 CO 0.70 -0.99 1.13 -0.80 -0.10 0.00 0.00 175.22 175.16 2qpo s ASN 89 N -3.38 5.09 0.00 1.36 0.01 -1.26 -4.79 114.94 111.98 2qpo s ASN 89 Ca 0.60 2.09 0.13 0.00 -0.71 0.00 0.00 52.86 54.97 2qpo s ASN 89 Cb -0.14 -2.56 0.56 0.00 0.41 0.00 0.00 41.25 39.52 2qpo s ASN 89 CO 0.45 -1.65 1.40 -2.65 -1.51 0.00 0.00 177.10 173.14 2qpo n PRO 90 N -2.23 0.03 0.18 -0.60 -0.02 -1.26 -2.02 135.00 129.07 2qpo n PRO 90 Ca 0.11 0.26 0.11 0.00 -2.02 0.00 0.00 63.50 61.96 2qpo n PRO 90 Cb 0.51 -1.50 0.58 0.00 -0.02 0.00 0.00 33.50 33.08 2qpo n PRO 90 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2qpo h SER 91 N 0.00 0.00 0.11 2.55 4.64 -2.00 -1.01 113.55 117.84 2qpo h SER 91 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2qpo h SER 91 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2qpo h SER 91 CO 0.00 0.00 -0.13 0.25 -0.87 0.00 0.00 176.83 176.08 2qpo h LEU 92 N 0.00 0.05 -0.85 5.97 5.85 -1.78 -2.33 115.31 122.22 2qpo h LEU 92 Ca 0.00 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.79 2qpo h LEU 92 Cb 0.13 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.04 2qpo h LEU 92 CO 0.00 0.19 -0.58 0.15 -0.34 0.00 0.00 178.44 177.86 2qpo h PHE 93 N 0.05 -1.83 -0.41 1.25 3.57 -1.44 -0.64 116.94 117.49 2qpo h PHE 93 Ca 0.01 0.12 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 2qpo h PHE 93 Cb 0.26 0.91 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 2qpo h PHE 93 CO 0.00 -0.40 -0.23 0.93 -2.23 0.00 0.00 178.31 176.38 2qpo h GLU 94 N -0.10 0.83 -0.29 1.11 4.39 -1.63 -1.71 114.58 117.17 2qpo h GLU 94 Ca 0.14 -0.34 -0.10 0.00 0.34 0.00 0.00 59.36 59.40 2qpo h GLU 94 Cb 0.46 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2qpo h GLU 94 CO -0.85 0.97 -0.24 -0.39 -1.16 0.00 0.00 179.01 177.34 2qpo h VAL 95 N 0.72 1.27 -0.27 3.13 -1.51 -1.31 -1.96 116.25 116.32 2qpo h VAL 95 Ca 0.10 -1.28 -0.15 0.00 -1.23 0.00 0.00 66.70 64.14 2qpo h VAL 95 Cb 0.76 1.30 -0.00 0.00 -2.13 0.00 0.00 31.29 31.21 2qpo h VAL 95 CO 0.06 0.41 -0.40 0.58 -1.23 0.00 0.00 177.57 176.99 2qpo h VAL 96 N 0.50 1.30 -0.67 7.19 2.07 -1.02 -2.54 116.25 123.08 2qpo h VAL 96 Ca 0.07 -1.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 2qpo h VAL 96 Cb 0.68 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2qpo h VAL 96 CO 0.05 0.51 0.42 0.50 0.02 0.00 0.00 177.57 179.07 2qpo h LYS 97 N 0.49 0.89 -0.59 1.57 3.64 -1.22 -1.26 116.57 120.10 2qpo h LYS 97 Ca 0.03 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 2qpo h LYS 97 Cb 0.99 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 2qpo h LYS 97 CO 0.09 0.62 0.12 0.22 -2.27 0.00 0.00 179.45 178.23 2qpo h ASP 98 N 0.91 0.91 -0.54 4.20 3.58 -1.27 -1.89 116.42 122.32 2qpo h ASP 98 Ca 0.24 -0.24 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 2qpo h ASP 98 Cb -0.06 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.72 2qpo h ASP 98 CO -0.05 0.92 0.09 -0.07 -2.88 0.00 0.00 179.24 177.26 2qpo h LEU 99 N 0.86 0.90 -0.37 2.28 3.38 -1.07 -2.09 115.31 119.19 2qpo h LEU 99 Ca 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qpo h LEU 99 Cb 0.38 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2qpo h LEU 99 CO 0.01 0.90 0.24 -0.07 0.09 0.00 0.00 178.44 179.61 2qpo h LEU 100 N 0.89 0.44 -1.61 1.67 3.38 -1.10 0.27 115.31 119.26 2qpo h LEU 100 Ca 0.18 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2qpo h LEU 100 Cb 0.39 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2qpo h LEU 100 CO 0.01 0.33 -0.08 0.44 0.09 0.00 0.00 178.44 179.23 2qpo h ASP 101 N 0.50 0.14 -0.03 -0.43 3.32 -1.03 0.17 116.42 119.06 2qpo h ASP 101 Ca 0.14 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2qpo h ASP 101 Cb -0.04 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2qpo h ASP 101 CO -0.03 0.25 0.00 0.54 -1.72 0.00 0.00 179.24 178.28 2qpo n ARG 102 N -4.36 1.22 -0.91 3.56 1.74 -0.82 -4.88 116.66 112.22 2qpo n ARG 102 Ca -0.01 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.73 2qpo n ARG 102 Cb 0.20 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2qpo n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qpo n GLY 103 N 0.96 0.45 3.65 -0.13 0.00 -0.48 -4.91 105.19 104.74 2qpo n GLY 103 Ca 0.18 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 2qpo n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qpo s ILE 104 N -2.00 5.25 0.30 -0.61 1.01 0.94 -4.16 121.20 121.94 2qpo s ILE 104 Ca 0.00 0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.83 2qpo s ILE 104 Cb 0.00 -3.63 -0.10 0.00 0.01 0.00 0.00 42.46 38.74 2qpo s ILE 104 CO 0.00 0.26 1.23 -1.81 0.00 0.00 0.00 174.94 174.63 2qpo s ASP 105 N 1.20 6.96 -0.06 3.58 1.01 -0.78 -3.72 116.67 124.86 2qpo s ASP 105 Ca 0.14 2.51 0.02 0.00 0.71 0.00 0.00 52.55 55.93 2qpo s ASP 105 Cb -0.15 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.16 2qpo s ASP 105 CO 0.07 -0.39 -0.13 -0.69 0.21 0.00 0.00 175.17 174.24 2qpo s VAL 106 N -1.02 1.18 -0.11 -1.27 1.01 -0.45 -1.17 120.40 118.57 2qpo s VAL 106 Ca 0.48 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.98 2qpo s VAL 106 Cb -0.37 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 34.96 2qpo s VAL 106 CO 0.47 0.36 -0.20 -0.36 0.00 0.00 0.00 175.10 175.37 2qpo s PHE 107 N 0.58 2.36 -0.03 5.22 0.08 -0.14 -1.70 117.98 124.34 2qpo s PHE 107 Ca -0.13 -1.06 0.03 0.00 0.12 0.00 0.00 56.93 55.89 2qpo s PHE 107 Cb -0.15 -1.62 0.00 0.00 -0.57 0.00 0.00 43.02 40.68 2qpo s PHE 107 CO 0.04 -0.47 -0.12 0.00 -0.10 0.00 0.00 175.22 174.56 2qpo s ALA 109 N 0.15 2.11 0.08 0.00 0.00 0.07 -0.91 121.76 123.26 2qpo s ALA 109 Ca -0.04 -0.96 -0.27 0.00 0.00 0.00 0.00 51.96 50.69 2qpo s ALA 109 Cb -0.10 -0.75 0.09 0.00 0.00 0.00 0.00 23.12 22.36 2qpo s ALA 109 CO 0.01 0.32 1.11 0.20 0.00 0.00 0.00 175.76 177.41 2qpo s GLY 110 N 0.19 -0.29 0.16 0.00 0.00 -0.81 -1.08 107.32 105.48 2qpo s GLY 110 Ca -0.14 0.35 -0.30 0.00 0.00 0.00 0.00 44.72 44.63 2qpo s GLY 110 CO 0.07 0.27 1.19 1.08 0.00 0.00 0.00 173.10 175.71 2qpo s LEU 111 N -3.00 4.44 0.04 0.66 1.43 -1.26 -3.81 118.68 117.17 2qpo s LEU 111 Ca 0.14 2.17 -0.03 0.00 -1.03 0.00 0.00 54.13 55.38 2qpo s LEU 111 Cb 0.01 -3.60 -0.28 0.00 0.03 0.00 0.00 46.19 42.36 2qpo s LEU 111 CO -0.00 -0.38 1.00 -2.24 0.23 0.00 0.00 176.35 174.96 2qpo h ASP 112 N 5.60 0.39 -4.19 2.29 3.04 -1.93 -3.43 116.42 118.19 2qpo h ASP 112 Ca -0.44 -0.47 -0.38 0.00 -3.24 0.00 0.00 57.03 52.50 2qpo h ASP 112 Cb 1.21 -0.13 -0.27 0.00 -1.04 0.00 0.00 39.33 39.11 2qpo h ASP 112 CO 0.76 1.38 -0.77 -0.76 -2.04 0.00 0.00 179.24 177.80 2qpo s LEU 113 N -7.03 2.09 1.11 0.15 1.43 -1.26 -1.87 118.68 113.29 2qpo s LEU 113 Ca -0.06 -0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 52.62 2qpo s LEU 113 Cb 0.07 -0.44 0.24 0.00 0.03 0.00 0.00 46.19 46.09 2qpo s LEU 113 CO 0.87 0.05 1.07 0.42 0.23 0.00 0.00 176.35 178.98 2qpo s THR 114 N -0.52 1.89 -0.42 5.49 -4.23 0.39 -4.80 115.64 113.44 2qpo s THR 114 Ca 0.01 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.74 2qpo s THR 114 Cb -0.05 -2.37 0.23 0.00 1.34 0.00 0.00 72.50 71.65 2qpo s THR 114 CO 0.00 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 175.75 2qpo n HIS 115 N -4.57 0.74 -0.40 3.99 1.44 -1.26 -0.64 115.22 114.52 2qpo n HIS 115 Ca 0.06 0.32 0.11 0.00 -2.01 0.00 0.00 57.72 56.20 2qpo n HIS 115 Cb 0.57 -1.01 0.32 0.00 0.12 0.00 0.00 29.99 29.99 2qpo n HIS 115 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2qpo n LYS 116 N -2.20 2.85 -3.49 -1.40 5.02 -1.26 -4.59 118.16 113.09 2qpo n LYS 116 Ca 0.01 -2.68 -0.22 0.00 -2.02 0.00 0.00 58.31 53.40 2qpo n LYS 116 Cb 0.16 -1.60 0.07 0.00 -0.02 0.00 0.00 35.03 33.64 2qpo n LYS 116 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qpo n GLN 117 N 1.57 -7.23 -4.05 1.97 6.02 0.19 -5.04 117.38 110.81 2qpo n GLN 117 Ca 0.24 0.76 -0.33 0.00 -0.01 0.00 0.00 57.00 57.67 2qpo n GLN 117 Cb 0.65 -5.59 -0.06 0.00 1.02 0.00 0.00 30.24 26.26 2qpo n GLN 117 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2qpo s ASN 118 N -3.34 5.82 0.53 1.08 0.02 -1.26 -4.84 114.94 112.95 2qpo s ASN 118 Ca 0.51 0.17 -0.22 0.00 -1.02 0.00 0.00 52.86 52.30 2qpo s ASN 118 Cb -0.22 -1.70 -0.05 0.00 0.02 0.00 0.00 41.25 39.29 2qpo s ASN 118 CO 0.66 0.25 1.33 -2.84 0.02 0.00 0.00 177.10 176.53 2qpo s PRO 119 N -1.89 3.27 -0.10 -0.60 0.02 -1.26 -0.46 135.00 133.97 2qpo s PRO 119 Ca 0.25 2.17 -0.27 0.00 0.02 0.00 0.00 61.00 63.17 2qpo s PRO 119 Cb -0.12 -2.31 -0.02 0.00 0.02 0.00 0.00 34.50 32.07 2qpo s PRO 119 CO 0.16 -1.06 0.88 -0.06 -0.33 0.00 0.00 177.00 176.60 2qpo s PHE 120 N -1.34 3.52 0.17 6.54 0.08 -0.78 -4.77 117.98 121.39 2qpo s PHE 120 Ca 0.70 1.43 -0.10 0.00 0.12 0.00 0.00 56.93 59.07 2qpo s PHE 120 Cb -0.39 -3.04 0.03 0.00 -0.57 0.00 0.00 43.02 39.05 2qpo s PHE 120 CO 0.46 -0.13 1.59 1.49 -0.10 0.00 0.00 175.22 178.52 2qpo h GLU 121 N 7.07 1.03 -0.20 0.44 4.81 -1.91 -1.26 114.58 124.55 2qpo h GLU 121 Ca -0.34 -0.39 -0.14 0.00 -0.13 0.00 0.00 59.36 58.36 2qpo h GLU 121 Cb 1.16 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2qpo h GLU 121 CO 0.81 1.08 -0.48 1.15 -0.73 0.00 0.00 179.01 180.84 2qpo h THR 122 N 0.90 1.31 -0.27 0.32 2.02 -1.86 -1.42 112.91 113.91 2qpo h THR 122 Ca 0.14 -1.69 -0.13 0.00 0.77 0.00 0.00 66.41 65.50 2qpo h THR 122 Cb 0.69 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2qpo h THR 122 CO 0.05 0.53 -0.34 0.74 0.37 0.00 0.00 175.52 176.87 2qpo h THR 123 N 0.43 1.31 -0.06 3.16 2.02 -1.77 -2.23 112.91 115.77 2qpo h THR 123 Ca 0.02 -1.52 0.04 0.00 0.77 0.00 0.00 66.41 65.72 2qpo h THR 123 Cb 0.99 1.66 -0.04 0.00 -1.74 0.00 0.00 68.15 69.02 2qpo h THR 123 CO 0.09 0.48 -0.20 0.00 0.37 0.00 0.00 175.52 176.27 2qpo h ALA 124 N 0.68 -0.20 -0.57 6.16 0.00 -0.98 0.74 119.26 125.08 2qpo h ALA 124 Ca 0.03 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2qpo h ALA 124 Cb 0.92 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 2qpo h ALA 124 CO 0.08 -0.67 0.35 -0.07 0.00 0.00 0.00 179.25 178.93 2qpo h LEU 125 N -0.28 0.56 -1.49 0.00 3.38 -1.28 -0.90 115.31 115.29 2qpo h LEU 125 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2qpo h LEU 125 Cb 0.39 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2qpo h LEU 125 CO -0.22 0.39 0.08 -0.07 0.09 0.00 0.00 178.44 178.72 2qpo h LEU 126 N 0.69 0.38 -1.31 1.67 3.38 -1.06 -2.83 115.31 116.23 2qpo h LEU 126 Ca 0.23 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2qpo h LEU 126 Cb 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2qpo h LEU 126 CO -0.10 0.38 -0.24 -0.07 0.09 0.00 0.00 178.44 178.50 2qpo h LEU 127 N 0.42 0.17 -0.80 1.67 3.38 0.52 -1.21 115.31 119.46 2qpo h LEU 127 Ca 0.10 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2qpo h LEU 127 Cb 0.15 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2qpo h LEU 127 CO -0.01 0.41 -0.56 0.28 0.09 0.00 0.00 178.44 178.65 2qpo h SER 128 N 0.16 0.12 1.08 -0.43 0.02 -1.16 -3.19 113.55 110.15 2qpo h SER 128 Ca 0.03 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2qpo h SER 128 Cb 0.51 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2qpo h SER 128 CO 0.04 0.66 -0.94 0.25 -1.14 0.00 0.00 176.83 175.69 2qpo h LEU 129 N 0.08 0.00-10.01 5.07 5.85 -1.27 -3.48 115.31 111.55 2qpo h LEU 129 Ca -0.00 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.17 2qpo h LEU 129 Cb 1.02 0.00 0.12 0.00 0.37 0.00 0.00 40.66 42.18 2qpo h LEU 129 CO 0.08 0.13 0.66 0.00 -0.34 0.00 0.00 178.44 178.97 2qpo s ALA 130 N -3.25 3.07 -0.01 1.25 0.00 -0.49 -4.85 121.76 117.48 2qpo s ALA 130 Ca 0.00 1.39 -0.17 0.00 0.00 0.00 0.00 51.96 53.19 2qpo s ALA 130 Cb 0.09 -3.57 -0.34 0.00 0.00 0.00 0.00 23.12 19.30 2qpo s ALA 130 CO 0.78 -1.24 0.91 -0.44 0.00 0.00 0.00 175.76 175.78 2qpo h ASP 131 N 2.00 0.71 -3.59 0.00 3.32 -0.74 -3.47 116.42 114.65 2qpo h ASP 131 Ca -0.51 -0.93 -0.54 0.00 0.02 0.00 0.00 57.03 55.07 2qpo h ASP 131 Cb 1.28 -0.23 -0.33 0.00 0.22 0.00 0.00 39.33 40.27 2qpo h ASP 131 CO 0.60 1.64 -0.83 -0.89 -1.72 0.00 0.00 179.24 178.04 2qpo s THR 132 N -2.55 1.32 -0.16 0.35 2.01 -0.67 -5.03 115.64 110.91 2qpo s THR 132 Ca -0.11 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 61.27 2qpo s THR 132 Cb 0.03 -1.17 -0.01 0.00 0.01 0.00 0.00 72.50 71.37 2qpo s THR 132 CO 0.90 0.39 -0.13 -0.69 -0.69 0.00 0.00 174.62 174.40 2qpo s VAL 133 N 0.40 2.85 -0.27 3.82 1.01 -1.26 -0.82 120.40 126.12 2qpo s VAL 133 Ca -0.11 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 2qpo s VAL 133 Cb -0.14 -2.21 -0.00 0.00 0.00 0.00 0.00 36.38 34.02 2qpo s VAL 133 CO 0.04 0.51 0.06 -0.63 0.00 0.00 0.00 175.10 175.07 2qpo s ILE 134 N 0.79 3.96 -0.28 2.22 1.01 0.22 -4.96 121.20 124.15 2qpo s ILE 134 Ca -0.05 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 2qpo s ILE 134 Cb -0.15 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 2qpo s ILE 134 CO 0.01 0.19 0.29 -0.54 0.00 0.00 0.00 174.94 174.89 2qpo s LYS 135 N 1.52 3.92 0.00 2.79 -0.14 -1.26 0.11 119.74 126.68 2qpo s LYS 135 Ca 0.04 -0.19 -0.05 0.00 -1.36 0.00 0.00 55.97 54.41 2qpo s LYS 135 Cb -0.16 -3.68 -0.05 0.00 -1.68 0.00 0.00 37.83 32.26 2qpo s LYS 135 CO 0.02 -0.27 0.24 0.15 -0.76 0.00 0.00 175.35 174.73 2qpo s LYS 136 N 1.92 3.54 0.18 1.68 -0.14 0.22 -4.93 119.74 122.20 2qpo s LYS 136 Ca 0.11 -0.14 0.06 0.00 -1.36 0.00 0.00 55.97 54.64 2qpo s LYS 136 Cb -0.16 -3.08 -0.04 0.00 -1.68 0.00 0.00 37.83 32.87 2qpo s LYS 136 CO 0.11 0.66 0.07 0.15 -0.76 0.00 0.00 175.35 175.57 2qpo s LYS 137 N -1.79 2.64 0.42 1.68 1.02 -1.26 -4.24 119.74 118.20 2qpo s LYS 137 Ca 0.27 -1.02 0.07 0.00 0.02 0.00 0.00 55.97 55.31 2qpo s LYS 137 Cb -0.13 -2.48 -0.05 0.00 -0.52 0.00 0.00 37.83 34.65 2qpo s LYS 137 CO 0.16 0.46 0.19 0.00 -0.92 0.00 0.00 175.35 175.24 2qpo s ALA 138 N -1.80 3.63 0.20 5.17 0.00 -0.50 -4.49 121.76 123.98 2qpo s ALA 138 Ca 0.29 -2.05 -0.30 0.00 0.00 0.00 0.00 51.96 49.90 2qpo s ALA 138 Cb -0.09 -0.40 -0.08 0.00 0.00 0.00 0.00 23.12 22.54 2qpo s ALA 138 CO 0.21 -0.18 1.24 0.08 0.00 0.00 0.00 175.76 177.12 2qpo s VAL 139 N -2.61 3.38 -0.08 0.00 1.01 -1.26 -1.80 120.40 119.05 2qpo s VAL 139 Ca 0.40 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 63.25 2qpo s VAL 139 Cb 0.03 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2qpo s VAL 139 CO 0.22 0.19 1.24 0.00 0.00 0.00 0.00 175.10 176.75 2qpo h HIS 141 N 7.70 0.21 0.00 0.00 2.76 -0.91 -0.93 115.15 123.97 2qpo h HIS 141 Ca -0.33 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.83 2qpo h HIS 141 Cb 1.15 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 30.04 2qpo h HIS 141 CO 0.75 0.17 -0.22 -0.09 -1.30 0.00 0.00 177.93 177.25 2qpo h ARG 142 N 0.22 0.00 0.00 5.26 2.43 -1.91 -3.41 114.38 116.96 2qpo h ARG 142 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2qpo h ARG 142 Cb 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2qpo h ARG 142 CO -0.01 0.22 -0.88 0.00 -1.51 0.00 0.00 179.97 177.79 2qpo n GLY 144 N 1.39 1.19 3.85 0.00 0.00 -0.36 -5.01 105.19 106.26 2qpo n GLY 144 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2qpo n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qpo s GLU 145 N -0.15 3.88 -1.33 1.61 0.41 -1.26 -4.62 118.70 117.24 2qpo s GLU 145 Ca 0.00 0.83 -0.16 0.00 -0.41 0.00 0.00 54.97 55.24 2qpo s GLU 145 Cb 0.00 -2.18 0.08 0.00 -1.78 0.00 0.00 34.13 30.25 2qpo s GLU 145 CO 0.00 -0.25 1.84 0.98 -0.49 0.00 0.00 175.26 177.34 2qpo n TYR 146 N -1.62 4.28 -1.82 1.61 9.36 -1.26 -0.59 117.16 127.12 2qpo n TYR 146 Ca 0.06 -2.95 0.00 0.00 3.32 0.00 0.00 57.90 58.33 2qpo n TYR 146 Cb 0.54 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 2qpo n TYR 146 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2qpo n ASN 147 N 7.07 0.00 -4.72 2.98 6.94 -1.15 -4.95 115.26 121.44 2qpo n ASN 147 Ca 0.47 -1.16 -0.40 0.00 -0.02 0.00 0.00 54.58 53.48 2qpo n ASN 147 Cb 0.43 -0.03 -0.04 0.00 -2.36 0.00 0.00 39.78 37.77 2qpo n ASN 147 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qpo s ALA 148 N 0.00 3.31 0.00 -2.53 0.00 -0.74 -4.47 121.76 117.32 2qpo s ALA 148 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2qpo s ALA 148 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2qpo s ALA 148 CO 0.00 -0.12 0.14 0.25 0.00 0.00 0.00 175.76 176.03 2qpo n THR 149 N 3.76 0.00 -4.38 0.00 -2.24 -0.86 -1.41 114.28 109.15 2qpo n THR 149 Ca -0.00 -0.40 -0.19 0.00 -2.27 0.00 0.00 64.05 61.19 2qpo n THR 149 Cb 0.51 1.07 -0.10 0.00 -2.10 0.00 0.00 70.33 69.71 2qpo n THR 149 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qpo s LEU 150 N -1.06 2.50 -0.09 3.22 1.43 -0.55 -3.94 118.68 120.19 2qpo s LEU 150 Ca 0.00 -1.10 0.04 0.00 -1.03 0.00 0.00 54.13 52.04 2qpo s LEU 150 Cb 0.00 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.58 2qpo s LEU 150 CO 0.00 -0.26 -0.22 -0.89 0.23 0.00 0.00 176.35 175.21 2qpo s THR 151 N -3.02 2.30 -0.03 5.49 2.01 -1.26 -1.27 115.64 119.85 2qpo s THR 151 Ca 0.25 -0.95 0.05 0.00 0.31 0.00 0.00 61.69 61.35 2qpo s THR 151 Cb 0.01 -1.89 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 2qpo s THR 151 CO 0.09 0.56 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.19 2qpo s LEU 152 N 0.17 1.94 0.07 4.42 2.96 0.13 -4.24 118.68 124.12 2qpo s LEU 152 Ca -0.12 -0.34 -0.27 0.00 -0.22 0.00 0.00 54.13 53.18 2qpo s LEU 152 Cb -0.16 -0.93 -0.06 0.00 0.50 0.00 0.00 46.19 45.54 2qpo s LEU 152 CO 0.07 0.17 0.85 -0.75 -1.32 0.00 0.00 176.35 175.36 2qpo s LYS 153 N -0.08 4.58 -0.09 1.98 2.20 -1.26 -1.30 119.74 125.76 2qpo s LYS 153 Ca -0.01 1.22 -0.05 0.00 -0.36 0.00 0.00 55.97 56.77 2qpo s LYS 153 Cb -0.10 -3.37 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 2qpo s LYS 153 CO 0.01 0.25 0.10 1.33 -0.36 0.00 0.00 175.35 176.68 2qpo n VAL 154 N 2.83 -7.40 -1.59 4.02 0.24 -1.26 -4.96 118.33 110.20 2qpo n VAL 154 Ca -0.00 1.22 0.00 0.00 -2.04 0.00 0.00 64.34 63.51 2qpo n VAL 154 Cb 0.50 -4.96 0.00 0.00 -1.47 0.00 0.00 33.84 27.90 2qpo n VAL 154 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2qpo n LYS 168 N 0.71 -4.03 -4.33 7.34 -0.00 -1.26 -4.74 118.16 111.84 2qpo n LYS 168 Ca -0.17 3.07 -0.25 0.00 -0.00 0.00 0.00 58.31 60.95 2qpo n LYS 168 Cb 0.26 -3.71 -0.12 0.00 -0.00 0.00 0.00 35.03 31.45 2qpo n LYS 168 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2qpo s TYR 169 N -4.48 1.99 0.05 5.58 1.51 -1.26 -5.04 117.35 115.71 2qpo s TYR 169 Ca 0.00 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 2qpo s TYR 169 Cb 0.00 -1.06 -0.03 0.00 -0.11 0.00 0.00 41.96 40.76 2qpo s TYR 169 CO 0.00 0.29 -0.12 0.42 -1.11 0.00 0.00 175.55 175.03 2qpo s ILE 170 N -1.29 0.94 -0.18 2.71 1.09 -0.42 -4.98 121.20 119.06 2qpo s ILE 170 Ca 0.11 -1.14 -0.09 0.00 -1.10 0.00 0.00 60.65 58.43 2qpo s ILE 170 Cb -0.09 -0.91 -0.05 0.00 -1.06 0.00 0.00 42.46 40.35 2qpo s ILE 170 CO 0.06 -0.21 0.11 0.00 -0.10 0.00 0.00 174.94 174.80 2qpo s ALA 171 N -1.17 3.62 0.06 9.38 0.00 -1.26 0.17 121.76 132.56 2qpo s ALA 171 Ca -0.03 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.22 2qpo s ALA 171 Cb -0.09 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 2qpo s ALA 171 CO 0.01 0.23 -0.04 0.14 0.00 0.00 0.00 175.76 176.11 2qpo s VAL 172 N 0.16 0.34 0.84 0.00 -7.23 -0.40 -0.17 120.40 113.95 2qpo s VAL 172 Ca 0.07 -1.78 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 2qpo s VAL 172 Cb -0.12 -1.48 0.10 0.00 0.56 0.00 0.00 36.38 35.45 2qpo s VAL 172 CO -0.01 -0.93 1.20 0.00 -0.31 0.00 0.00 175.10 175.06 2qpo h ARG 174 N -1.17 0.37 -0.26 0.00 2.43 -1.97 -0.70 114.38 113.08 2qpo h ARG 174 Ca -0.46 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 58.66 2qpo h ARG 174 Cb 1.31 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 2qpo h ARG 174 CO 0.61 0.43 0.12 -0.44 -1.51 0.00 0.00 179.97 179.18 2qpo h ASP 175 N 0.23 0.17 -0.65 -3.80 3.32 -1.97 -1.08 116.42 112.65 2qpo h ASP 175 Ca 0.08 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 2qpo h ASP 175 Cb 0.20 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2qpo h ASP 175 CO -0.00 0.13 0.16 0.00 -1.72 0.00 0.00 179.24 177.80 2qpo h TYR 177 N 1.01 0.50 -0.02 0.00 3.20 -0.80 -1.19 116.97 119.67 2qpo h TYR 177 Ca 0.21 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.00 2qpo h TYR 177 Cb 0.36 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 2qpo h TYR 177 CO 0.03 0.18 -0.50 -0.91 -1.64 0.00 0.00 178.16 175.31 2qpo h ASN 178 N 0.50 0.06 1.39 -2.11 2.35 -0.87 -2.05 115.58 114.86 2qpo h ASN 178 Ca 0.30 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2qpo h ASN 178 Cb 0.32 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.67 2qpo h ASN 178 CO -0.26 0.55 -0.41 0.71 -1.65 0.00 0.00 177.43 176.38 2qpo h THR 179 N 0.04 0.00 0.00 2.81 1.35 -1.11 -3.31 112.91 112.70 2qpo h THR 179 Ca -0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 2qpo h THR 179 Cb 0.91 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 2qpo h THR 179 CO 0.07 0.00 -0.85 0.18 -0.25 0.00 0.00 175.52 174.67 2qpo n LEU 180 N -2.63 0.70 0.00 3.87 4.77 -0.47 -5.10 117.00 118.14 2qpo n LEU 180 Ca 0.03 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2qpo n LEU 180 Cb 0.50 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2qpo n LEU 180 CO 0.36 0.15 0.00 0.29 -1.33 0.00 0.00 177.39 176.85