#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 1.60 -0.07 5.00 0.00 0.12 -4.80 107.32 109.16 2qpo s GLY 3 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.30 2qpo s GLY 3 CO 0.00 -0.16 -0.05 0.54 0.00 0.00 0.00 173.10 173.43 2qpo s LYS 4 N -5.05 2.81 -0.25 2.90 -0.14 -1.26 -4.83 119.74 113.92 2qpo s LYS 4 Ca 0.53 -0.51 -0.10 0.00 -1.36 0.00 0.00 55.97 54.53 2qpo s LYS 4 Cb -0.11 -2.64 -0.05 0.00 -1.68 0.00 0.00 37.83 33.35 2qpo s LYS 4 CO 0.49 0.67 0.15 -1.17 -0.76 0.00 0.00 175.35 174.72 2qpo s LEU 5 N -0.82 3.96 -0.12 3.17 2.96 -1.26 -1.71 118.68 124.85 2qpo s LEU 5 Ca 0.12 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.06 2qpo s LEU 5 Cb -0.11 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 2qpo s LEU 5 CO 0.02 0.03 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.04 2qpo s THR 6 N 1.29 2.97 -0.11 3.68 2.01 -0.88 -0.12 115.64 124.48 2qpo s THR 6 Ca 0.07 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.41 2qpo s THR 6 Cb -0.14 -2.24 0.00 0.00 0.01 0.00 0.00 72.50 70.14 2qpo s THR 6 CO 0.06 0.53 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.61 2qpo s VAL 7 N 0.30 1.99 -0.19 3.82 1.01 -0.28 -1.02 120.40 126.04 2qpo s VAL 7 Ca -0.11 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.86 2qpo s VAL 7 Cb -0.16 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 2qpo s VAL 7 CO 0.06 0.54 -0.01 -0.63 0.00 0.00 0.00 175.10 175.06 2qpo s ILE 8 N 0.56 3.88 0.06 2.22 1.01 0.23 -0.35 121.20 128.82 2qpo s ILE 8 Ca -0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 2qpo s ILE 8 Cb -0.17 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 2qpo s ILE 8 CO 0.04 0.45 0.03 -0.89 0.00 0.00 0.00 174.94 174.56 2qpo s THR 9 N 0.86 0.20 0.00 2.92 2.01 0.79 -2.18 115.64 120.24 2qpo s THR 9 Ca 0.00 -1.65 0.00 0.00 0.31 0.00 0.00 61.69 60.35 2qpo s THR 9 Cb -0.14 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 70.88 2qpo s THR 9 CO 0.02 -0.91 0.00 0.61 -0.69 0.00 0.00 174.62 173.65 2qpo n GLY 10 N 0.07 -0.99 3.76 4.40 0.00 -1.25 0.74 105.19 111.92 2qpo n GLY 10 Ca -0.14 -1.25 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.00 0.10 0.78 1.61 0.04 -1.26 -3.88 135.00 130.40 2qpo s PRO 11 Ca 0.00 -0.05 -0.14 0.00 0.04 0.00 0.00 61.00 60.85 2qpo s PRO 11 Cb 0.00 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.82 2qpo s PRO 11 CO 0.00 -2.83 0.92 -1.33 0.04 0.00 0.00 177.00 173.80 2qpo n MET 12 N -4.14 0.24 -2.09 4.56 2.81 -1.26 -3.32 117.12 113.92 2qpo n MET 12 Ca 0.12 0.14 -0.19 0.00 -1.81 0.00 0.00 57.70 55.96 2qpo n MET 12 Cb 0.59 -2.20 -0.04 0.00 -0.71 0.00 0.00 33.22 30.87 2qpo n MET 12 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2qpo n TYR 13 N -2.94 -0.72 -0.66 2.03 4.02 -1.26 -4.69 117.16 112.94 2qpo n TYR 13 Ca 0.12 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.09 2qpo n TYR 13 Cb 0.50 -3.57 0.31 0.00 -0.02 0.00 0.00 39.34 36.56 2qpo n TYR 13 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2qpo n SER 14 N -1.68 4.40 -0.81 7.72 3.41 -1.21 -4.48 113.62 120.97 2qpo n SER 14 Ca -0.22 -2.55 -0.07 0.00 -0.26 0.00 0.00 58.87 55.78 2qpo n SER 14 Cb 0.66 -0.53 -0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.64 0.12 0.15 5.00 0.00 -1.26 -4.28 105.19 105.55 2qpo n GLY 15 Ca 0.23 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.05 0.43 -0.50 1.61 1.57 -1.93 -2.43 116.57 115.27 2qpo h LYS 16 Ca -0.16 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.32 2qpo h LYS 16 Cb 1.12 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 2qpo h LYS 16 CO 0.19 0.93 0.32 1.15 -0.57 0.00 0.00 179.45 181.47 2qpo h THR 17 N 0.00 1.11 -0.41 -0.16 2.02 -1.97 -1.78 112.91 111.72 2qpo h THR 17 Ca -0.01 -0.23 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 2qpo h THR 17 Cb 0.97 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 2qpo h THR 17 CO 0.07 0.12 -0.04 0.71 0.37 0.00 0.00 175.52 176.75 2qpo h THR 18 N 0.66 1.24 -0.86 3.16 1.35 -1.97 -2.07 112.91 114.41 2qpo h THR 18 Ca 0.19 -1.01 -0.03 0.00 -0.55 0.00 0.00 66.41 65.01 2qpo h THR 18 Cb -0.06 0.97 -0.04 0.00 -1.73 0.00 0.00 68.15 67.29 2qpo h THR 18 CO -0.05 0.35 0.41 -0.08 -0.25 0.00 0.00 175.52 175.90 2qpo h GLU 19 N 0.64 1.24 -0.81 4.72 4.57 -1.21 -1.04 114.58 122.69 2qpo h GLU 19 Ca 0.12 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2qpo h GLU 19 Cb 0.47 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 2qpo h GLU 19 CO 0.02 0.95 0.48 1.25 -1.18 0.00 0.00 179.01 180.53 2qpo h LEU 20 N 1.22 0.98 -0.55 1.64 5.85 -0.66 -2.43 115.31 121.36 2qpo h LEU 20 Ca 0.30 -0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.80 2qpo h LEU 20 Cb 0.12 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2qpo h LEU 20 CO -0.04 0.76 -0.71 -0.07 -0.34 0.00 0.00 178.44 178.04 2qpo h LEU 21 N 1.13 0.10 -1.88 2.25 3.38 -1.07 -1.62 115.31 117.59 2qpo h LEU 21 Ca 0.29 -0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.34 2qpo h LEU 21 Cb -0.03 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2qpo h LEU 21 CO -0.05 0.78 0.40 0.77 0.09 0.00 0.00 178.44 180.42 2qpo h SER 22 N 0.05 0.11 0.31 -0.43 4.64 -0.71 -0.73 113.55 116.79 2qpo h SER 22 Ca -0.01 0.01 -0.33 0.00 -0.47 0.00 0.00 61.79 60.98 2qpo h SER 22 Cb 1.26 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2qpo h SER 22 CO 0.10 0.06 -1.65 -0.26 -0.87 0.00 0.00 176.83 174.21 2qpo h PHE 23 N 0.12 0.60 -0.36 4.77 0.04 -1.18 -3.25 116.94 117.67 2qpo h PHE 23 Ca 0.27 -0.44 0.03 0.00 2.80 0.00 0.00 57.97 60.63 2qpo h PHE 23 Cb 0.92 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.01 2qpo h PHE 23 CO -0.00 1.54 0.17 0.28 -0.60 0.00 0.00 178.31 179.70 2qpo h VAL 24 N 0.09 0.97 -0.20 -0.55 2.07 -0.81 -2.91 116.25 114.91 2qpo h VAL 24 Ca -0.30 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 2qpo h VAL 24 Cb 2.07 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 2qpo h VAL 24 CO 0.17 0.06 -0.19 -0.08 0.02 0.00 0.00 177.57 177.56 2qpo h GLU 25 N 0.35 0.35 -0.13 1.57 4.57 -1.29 -0.11 114.58 119.90 2qpo h GLU 25 Ca 0.15 -0.11 -0.11 0.00 -1.18 0.00 0.00 59.36 58.12 2qpo h GLU 25 Cb 0.08 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2qpo h GLU 25 CO -0.12 0.53 -0.40 -0.84 -1.18 0.00 0.00 179.01 177.00 2qpo h ILE 26 N 0.32 1.31 -0.15 2.32 3.07 -1.55 0.52 117.51 123.35 2qpo h ILE 26 Ca 0.06 -1.52 -0.19 0.00 1.55 0.00 0.00 64.86 64.76 2qpo h ILE 26 Cb 0.52 1.65 -0.00 0.00 -0.27 0.00 0.00 36.82 38.72 2qpo h ILE 26 CO 0.03 0.46 -0.67 1.88 -1.05 0.00 0.00 178.15 178.80 2qpo h TYR 27 N 0.25 0.77 0.25 0.16 -1.99 -1.19 -2.75 116.97 112.46 2qpo h TYR 27 Ca 0.02 -0.31 -0.01 0.00 2.00 0.00 0.00 58.73 60.43 2qpo h TYR 27 Cb 0.82 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 39.43 2qpo h TYR 27 CO 0.02 1.09 -0.12 0.87 -0.00 0.00 0.00 178.16 180.02 2qpo h LYS 28 N 0.42 -0.32 -0.97 4.88 6.56 -0.82 -0.86 116.57 125.45 2qpo h LYS 28 Ca -0.02 0.02 0.22 0.00 -1.06 0.00 0.00 60.65 59.81 2qpo h LYS 28 Cb 1.26 0.07 -0.08 0.00 -0.57 0.00 0.00 32.23 32.90 2qpo h LYS 28 CO 0.13 -0.08 0.63 -0.07 -2.06 0.00 0.00 179.45 177.99 2qpo h LEU 29 N -0.52 0.52 -0.32 2.94 3.38 -0.99 -0.85 115.31 119.48 2qpo h LEU 29 Ca -0.03 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qpo h LEU 29 Cb 0.38 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2qpo h LEU 29 CO 0.06 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.37 2qpo n GLY 30 N -1.46 -0.60 3.72 0.83 0.00 -1.04 -4.91 105.19 101.74 2qpo n GLY 30 Ca 0.22 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.28 -6.65 -4.13 1.61 5.02 -0.32 -5.00 118.16 108.41 2qpo n LYS 31 Ca 0.05 0.72 -0.31 0.00 -2.02 0.00 0.00 58.31 56.74 2qpo n LYS 31 Cb 0.08 -5.67 -0.07 0.00 -0.02 0.00 0.00 35.03 29.35 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 -6.34 2.83 -0.13 1.97 1.02 -0.35 -5.05 119.74 113.68 2qpo s LYS 32 Ca 0.53 -0.66 -0.22 0.00 0.02 0.00 0.00 55.97 55.63 2qpo s LYS 32 Cb -0.25 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.33 2qpo s LYS 32 CO 0.78 0.59 0.67 0.21 -0.92 0.00 0.00 175.35 176.68 2qpo s LYS 33 N -2.06 4.33 0.26 1.68 2.20 -1.26 -4.43 119.74 120.45 2qpo s LYS 33 Ca 0.25 0.77 0.11 0.00 -0.36 0.00 0.00 55.97 56.74 2qpo s LYS 33 Cb -0.12 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.64 2qpo s LYS 33 CO 0.17 -0.09 -0.14 0.14 -0.36 0.00 0.00 175.35 175.07 2qpo s VAL 34 N 1.38 2.82 -0.04 4.02 -7.23 -1.26 -0.12 120.40 119.98 2qpo s VAL 34 Ca 0.33 -2.15 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 2qpo s VAL 34 Cb -0.17 -2.47 0.01 0.00 0.56 0.00 0.00 36.38 34.31 2qpo s VAL 34 CO 0.14 -0.33 -0.10 0.00 -0.31 0.00 0.00 175.10 174.49 2qpo s ALA 35 N -2.28 1.02 -0.07 1.32 0.00 -0.58 -4.40 121.76 116.77 2qpo s ALA 35 Ca 0.29 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.93 2qpo s ALA 35 Cb -0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 2qpo s ALA 35 CO 0.16 0.14 -0.24 0.08 0.00 0.00 0.00 175.76 175.90 2qpo s VAL 36 N 0.34 2.15 0.12 0.00 1.01 -1.26 -0.66 120.40 122.10 2qpo s VAL 36 Ca -0.06 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 60.94 2qpo s VAL 36 Cb -0.11 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2qpo s VAL 36 CO 0.01 0.57 -0.12 -0.36 0.00 0.00 0.00 175.10 175.20 2qpo s PHE 37 N -0.09 1.27 0.06 5.22 0.08 0.13 -1.50 117.98 123.15 2qpo s PHE 37 Ca -0.05 -0.60 -0.05 0.00 0.12 0.00 0.00 56.93 56.34 2qpo s PHE 37 Cb -0.14 -0.67 -0.02 0.00 -0.57 0.00 0.00 43.02 41.62 2qpo s PHE 37 CO 0.04 0.09 0.08 -1.59 -0.10 0.00 0.00 175.22 173.75 2qpo s LYS 38 N -2.78 0.70 0.51 0.44 -2.85 -0.24 -1.76 119.74 113.75 2qpo s LYS 38 Ca 0.08 -1.03 -0.11 0.00 -1.00 0.00 0.00 55.97 53.92 2qpo s LYS 38 Cb -0.04 0.27 -0.05 0.00 -2.06 0.00 0.00 37.83 35.94 2qpo s LYS 38 CO 0.02 -0.18 0.90 -1.25 0.10 0.00 0.00 175.35 174.94 2qpo s PRO 39 N -3.64 3.71 -0.99 1.78 0.04 -1.26 -1.46 135.00 133.17 2qpo s PRO 39 Ca 0.04 0.60 -0.21 0.00 0.04 0.00 0.00 61.00 61.46 2qpo s PRO 39 Cb 0.05 -2.24 0.09 0.00 0.04 0.00 0.00 34.50 32.44 2qpo s PRO 39 CO -0.09 -0.29 1.33 0.21 0.04 0.00 0.00 177.00 178.20 2qpo s LYS 40 N -4.50 3.61 0.33 4.56 2.20 -0.46 -4.68 119.74 120.80 2qpo s LYS 40 Ca 0.53 -1.43 0.14 0.00 -0.36 0.00 0.00 55.97 54.85 2qpo s LYS 40 Cb -0.10 -5.18 0.57 0.00 -1.51 0.00 0.00 37.83 31.60 2qpo s LYS 40 CO 0.41 -2.03 1.71 0.82 -0.36 0.00 0.00 175.35 175.90 2qpo h ILE 41 N 6.34 1.21 -3.53 5.43 5.03 -1.94 -3.47 117.51 126.59 2qpo h ILE 41 Ca 0.19 -1.71 -0.80 0.00 -0.12 0.00 0.00 64.86 62.42 2qpo h ILE 41 Cb 1.01 1.96 -0.28 0.00 -3.03 0.00 0.00 36.82 36.48 2qpo h ILE 41 CO 1.30 0.47 0.48 0.61 -0.68 0.00 0.00 178.15 180.33 2qpo n GLY 57 N 0.06 4.22 0.05 5.37 0.00 -1.26 -5.24 105.19 108.39 2qpo n GLY 57 Ca -0.01 -2.58 -0.04 0.00 0.00 0.00 0.00 46.02 43.39 2qpo n GLY 57 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qpo n VAL 58 N 2.68 0.72 -2.71 1.61 3.14 -1.26 -4.95 118.33 117.56 2qpo n VAL 58 Ca 0.24 -0.50 -0.40 0.00 -2.96 0.00 0.00 64.34 60.72 2qpo n VAL 58 Cb 0.39 -0.51 -0.05 0.00 -1.06 0.00 0.00 33.84 32.60 2qpo n VAL 58 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2qpo s GLU 59 N -2.42 4.79 -0.48 1.45 2.02 -1.26 -5.03 118.70 117.77 2qpo s GLU 59 Ca -0.06 1.52 -0.18 0.00 0.02 0.00 0.00 54.97 56.27 2qpo s GLU 59 Cb 0.05 -3.30 0.05 0.00 0.10 0.00 0.00 34.13 31.03 2qpo s GLU 59 CO 0.53 0.39 0.55 0.00 0.02 0.00 0.00 175.26 176.75 2qpo s ALA 60 N -0.83 3.42 -0.17 5.21 0.00 -1.26 -4.45 121.76 123.68 2qpo s ALA 60 Ca 0.43 -1.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.39 2qpo s ALA 60 Cb -0.26 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 2qpo s ALA 60 CO 0.32 -1.85 1.64 -1.01 0.00 0.00 0.00 175.76 174.87 2qpo s HIS 61 N 2.37 2.05 -0.33 0.00 0.09 -0.56 -4.71 115.29 114.19 2qpo s HIS 61 Ca 0.13 0.44 -0.21 0.00 -0.00 0.00 0.00 55.06 55.43 2qpo s HIS 61 Cb -0.19 -3.94 -0.00 0.00 -0.00 0.00 0.00 32.58 28.44 2qpo s HIS 61 CO 0.12 -3.24 0.65 0.08 -0.00 0.00 0.00 174.74 172.35 2qpo s VAL 62 N 4.91 4.89 0.07 -0.90 1.01 -1.26 -1.08 120.40 128.04 2qpo s VAL 62 Ca 0.73 0.77 0.05 0.00 0.00 0.00 0.00 61.98 63.53 2qpo s VAL 62 Cb -0.28 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 2qpo s VAL 62 CO 0.29 -0.24 -0.14 0.27 0.00 0.00 0.00 175.10 175.28 2qpo s ILE 63 N 2.71 1.11 -0.11 2.22 -4.36 -0.54 -4.86 121.20 117.37 2qpo s ILE 63 Ca 0.26 -1.30 -0.27 0.00 -0.26 0.00 0.00 60.65 59.08 2qpo s ILE 63 Cb -0.15 -1.07 -0.26 0.00 1.25 0.00 0.00 42.46 42.24 2qpo s ILE 63 CO 0.13 -0.22 0.87 1.05 0.24 0.00 0.00 174.94 177.01 2qpo h GLU 64 N 4.31 0.06 -6.39 0.37 -0.00 -1.91 -1.21 114.58 109.82 2qpo h GLU 64 Ca -0.41 -0.09 -0.69 0.00 -0.00 0.00 0.00 59.36 58.17 2qpo h GLU 64 Cb 1.19 0.03 -0.27 0.00 -0.00 0.00 0.00 28.75 29.70 2qpo h GLU 64 CO 0.40 0.98 -0.83 1.03 -0.00 0.00 0.00 179.01 180.59 2qpo s ARG 65 N -2.55 2.37 0.58 1.06 1.81 -1.26 -4.71 118.95 116.24 2qpo s ARG 65 Ca -0.18 -0.81 0.28 0.00 -1.72 0.00 0.00 55.73 53.30 2qpo s ARG 65 Cb -0.02 -2.22 1.55 0.00 -0.45 0.00 0.00 34.95 33.81 2qpo s ARG 65 CO 0.71 0.56 2.00 -1.35 -0.68 0.00 0.00 175.30 176.55 2qpo h PRO 66 N 5.51 0.00 0.00 3.54 0.11 -1.92 -0.49 132.00 138.75 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 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2qpo h PRO 66 CO 0.49 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.67 2qpo n GLU 67 N -3.83 0.16 0.06 1.05 4.71 -1.26 -2.98 120.64 118.56 2qpo n GLU 67 Ca 0.05 0.29 0.10 0.00 -0.01 0.00 0.00 57.16 57.59 2qpo n GLU 67 Cb 0.50 -1.76 0.42 0.00 -1.01 0.00 0.00 31.44 29.59 2qpo n GLU 67 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2qpo n GLU 68 N -2.06 0.10 -0.20 3.49 1.02 -0.19 -3.64 120.64 119.16 2qpo n GLU 68 Ca 0.04 0.31 -0.10 0.00 -0.02 0.00 0.00 57.16 57.39 2qpo n GLU 68 Cb 0.29 -1.68 0.02 0.00 -0.02 0.00 0.00 31.44 30.05 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 1.07 -1.16 3.49 2.86 -1.72 -3.22 114.93 116.25 2qpo h MET 69 Ca 0.00 -0.37 0.33 0.00 -2.06 0.00 0.00 59.70 57.60 2qpo h MET 69 Cb 0.35 -0.08 -0.08 0.00 0.06 0.00 0.00 31.60 31.85 2qpo h MET 69 CO 0.00 1.07 0.79 0.00 1.06 0.00 0.00 176.91 179.83 2qpo h ARG 70 N 0.96 0.18 0.00 1.72 3.08 -1.82 0.03 114.38 118.53 2qpo h ARG 70 Ca 0.16 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2qpo h ARG 70 Cb 0.63 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2qpo h ARG 70 CO 0.04 0.12 0.00 1.63 -1.07 0.00 0.00 179.97 180.69 2qpo n LYS 71 N -4.43 0.26 0.00 0.04 4.76 -1.21 -2.95 118.16 114.62 2qpo n LYS 71 Ca 0.27 0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.79 2qpo n LYS 71 Cb 1.13 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.82 2qpo n LYS 71 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2qpo n TYR 72 N -1.33 0.00 -3.74 2.13 4.01 -0.02 -4.97 117.16 113.23 2qpo n TYR 72 Ca 0.10 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.47 2qpo n TYR 72 Cb 0.20 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.12 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 -0.06 4.83 0.35 -0.72 1.01 -1.12 -4.89 121.20 120.60 2qpo s ILE 73 Ca 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 60.65 60.72 2qpo s ILE 73 Cb 0.00 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 2qpo s ILE 73 CO 0.00 0.33 0.48 -1.61 0.00 0.00 0.00 174.94 174.15 2qpo s GLU 74 N 1.37 3.06 0.49 2.79 2.02 -1.26 -4.95 118.70 122.22 2qpo s GLU 74 Ca 0.06 -1.06 0.29 0.00 0.02 0.00 0.00 54.97 54.28 2qpo s GLU 74 Cb -0.15 -2.80 1.59 0.00 0.10 0.00 0.00 34.13 32.88 2qpo s GLU 74 CO 0.05 0.01 1.88 1.49 0.02 0.00 0.00 175.26 178.72 2qpo h GLU 75 N 0.87 0.00 0.00 1.61 4.81 -1.99 -1.75 114.58 118.13 2qpo h GLU 75 Ca -0.45 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.61 2qpo h GLU 75 Cb 1.26 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 2qpo h GLU 75 CO 0.52 0.00 -1.23 0.22 -0.73 0.00 0.00 179.01 177.79 2qpo h ASP 76 N 0.00 0.00 -2.63 1.04 1.82 -1.97 -3.47 116.42 111.21 2qpo h ASP 76 Ca 0.00 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.11 2qpo h ASP 76 Cb 0.20 0.00 0.04 0.00 0.68 0.00 0.00 39.33 40.25 2qpo h ASP 76 CO 0.00 0.66 1.04 -0.89 -1.61 0.00 0.00 179.24 178.44 2qpo s THR 77 N -2.87 2.50 -0.15 2.25 2.01 -0.66 -4.56 115.64 114.16 2qpo s THR 77 Ca -0.01 0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.23 2qpo s THR 77 Cb 0.08 -3.10 -0.12 0.00 0.01 0.00 0.00 72.50 69.37 2qpo s THR 77 CO 0.80 0.00 0.25 0.54 -0.69 0.00 0.00 174.62 175.53 2qpo n ARG 78 N 5.06 1.71 -3.83 4.92 1.74 0.83 -4.84 116.66 122.26 2qpo n ARG 78 Ca 0.17 -0.05 -0.12 0.00 -0.77 0.00 0.00 57.85 57.07 2qpo n ARG 78 Cb 0.38 -1.09 -0.12 0.00 -1.02 0.00 0.00 32.46 30.60 2qpo n ARG 78 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2qpo s GLY 79 N -2.56 -0.09 -0.06 -0.13 0.00 -1.19 -2.15 107.32 101.14 2qpo s GLY 79 Ca -0.01 0.35 0.03 0.00 0.00 0.00 0.00 44.72 45.10 2qpo s GLY 79 CO 0.36 0.28 -0.15 0.14 0.00 0.00 0.00 173.10 173.73 2qpo s VAL 80 N -0.12 1.34 -0.10 1.40 1.01 0.07 -1.52 120.40 122.48 2qpo s VAL 80 Ca -0.02 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.35 2qpo s VAL 80 Cb -0.02 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.19 2qpo s VAL 80 CO 0.00 0.40 -0.11 -0.36 0.00 0.00 0.00 175.10 175.03 2qpo s PHE 81 N 0.40 1.64 -0.12 5.22 0.08 0.17 -0.80 117.98 124.58 2qpo s PHE 81 Ca -0.11 -0.76 -0.00 0.00 0.12 0.00 0.00 56.93 56.18 2qpo s PHE 81 Cb -0.14 -1.25 0.02 0.00 -0.57 0.00 0.00 43.02 41.08 2qpo s PHE 81 CO 0.04 -0.44 -0.09 0.42 -0.10 0.00 0.00 175.22 175.05 2qpo s ILE 82 N 1.18 1.13 0.31 0.64 1.01 -0.13 0.20 121.20 125.54 2qpo s ILE 82 Ca -0.04 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.29 2qpo s ILE 82 Cb -0.14 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 2qpo s ILE 82 CO -0.03 0.38 0.47 -0.62 0.00 0.00 0.00 174.94 175.14 2qpo s ASP 83 N 1.67 6.20 -1.40 3.58 2.15 -0.72 -0.93 116.67 127.21 2qpo s ASP 83 Ca 0.05 0.17 -0.03 0.00 0.43 0.00 0.00 52.55 53.17 2qpo s ASP 83 Cb -0.13 -1.77 0.02 0.00 -0.30 0.00 0.00 42.92 40.74 2qpo s ASP 83 CO -0.09 -0.27 0.62 -0.62 -0.17 0.00 0.00 175.17 174.65 2qpo n GLU 84 N -1.63 -4.20 0.30 4.34 1.02 0.03 -4.28 120.64 116.22 2qpo n GLU 84 Ca -0.05 0.51 0.19 0.00 -0.02 0.00 0.00 57.16 57.79 2qpo n GLU 84 Cb 0.57 -4.94 0.91 0.00 -0.02 0.00 0.00 31.44 27.96 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 -1.86 0.11 -0.29 2.62 -1.51 -1.53 -2.43 116.25 111.36 2qpo h VAL 85 Ca -0.61 -0.32 0.08 0.00 -1.23 0.00 0.00 66.70 64.62 2qpo h VAL 85 Cb 1.37 1.28 -0.01 0.00 -2.13 0.00 0.00 31.29 31.80 2qpo h VAL 85 CO 0.62 0.02 0.23 0.06 -1.23 0.00 0.00 177.57 177.27 2qpo h GLN 86 N 0.00 0.00 -0.00 5.19 -0.00 -1.83 -1.19 115.11 117.28 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 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.76 2qpo h GLN 86 CO 0.00 0.00 -0.06 1.19 -0.00 0.00 0.00 178.83 179.97 2qpo n PHE 87 N -4.29 0.00 -3.04 0.06 3.72 -0.92 -4.76 117.46 108.23 2qpo n PHE 87 Ca 0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.12 2qpo n PHE 87 Cb 0.39 -0.20 -0.05 0.00 -0.94 0.00 0.00 39.48 38.67 2qpo n PHE 87 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2qpo s PHE 88 N -2.45 3.39 0.44 1.38 0.08 -0.45 -4.97 117.98 115.40 2qpo s PHE 88 Ca 0.31 1.19 -0.24 0.00 0.12 0.00 0.00 56.93 58.32 2qpo s PHE 88 Cb 0.20 -2.53 -0.10 0.00 -0.57 0.00 0.00 43.02 40.02 2qpo s PHE 88 CO 0.46 0.03 0.98 -1.71 -0.10 0.00 0.00 175.22 174.88 2qpo n ASN 89 N -0.63 1.10 0.00 1.36 2.85 -1.26 -4.76 115.26 113.92 2qpo n ASN 89 Ca 0.03 1.00 0.02 0.00 -0.11 0.00 0.00 54.58 55.53 2qpo n ASN 89 Cb 0.53 -1.34 0.12 0.00 1.24 0.00 0.00 39.78 40.33 2qpo n ASN 89 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2qpo n PRO 90 N 0.05 0.07 0.12 1.20 -0.02 -1.26 -1.96 135.00 133.20 2qpo n PRO 90 Ca 0.10 0.22 0.10 0.00 -2.02 0.00 0.00 63.50 61.90 2qpo n PRO 90 Cb 0.40 -1.50 0.46 0.00 -0.02 0.00 0.00 33.50 32.84 2qpo n PRO 90 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2qpo n SER 91 N -1.27 0.48 0.09 2.55 3.41 -1.26 -2.16 113.62 115.47 2qpo n SER 91 Ca 0.02 0.67 0.18 0.00 -0.26 0.00 0.00 58.87 59.49 2qpo n SER 91 Cb 0.04 -0.75 0.74 0.00 -0.26 0.00 0.00 64.21 63.97 2qpo n SER 91 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2qpo h LEU 92 N 0.00 0.00 -0.38 1.04 5.85 -1.75 -1.90 115.31 118.17 2qpo h LEU 92 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2qpo h LEU 92 Cb 0.15 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2qpo h LEU 92 CO 0.00 0.00 0.18 0.15 -0.34 0.00 0.00 178.44 178.43 2qpo h PHE 93 N 0.00 0.54 -0.07 1.25 3.57 -1.71 0.18 116.94 120.71 2qpo h PHE 93 Ca 0.18 -0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.49 2qpo h PHE 93 Cb 0.80 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 2qpo h PHE 93 CO 0.00 0.45 -0.67 0.93 -2.23 0.00 0.00 178.31 176.79 2qpo h GLU 94 N 0.47 0.29 -0.26 1.11 4.39 -1.57 -2.20 114.58 116.81 2qpo h GLU 94 Ca 0.13 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 2qpo h GLU 94 Cb 0.12 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2qpo h GLU 94 CO -0.02 0.86 -0.15 0.28 -1.16 0.00 0.00 179.01 178.82 2qpo h VAL 95 N 0.21 1.30 -0.46 3.13 2.07 -1.32 -1.43 116.25 119.75 2qpo h VAL 95 Ca -0.02 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.25 2qpo h VAL 95 Cb 1.21 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 2qpo h VAL 95 CO 0.11 0.40 0.29 0.58 0.02 0.00 0.00 177.57 178.96 2qpo h VAL 96 N 0.28 1.09 -0.45 2.57 2.07 -0.69 -2.20 116.25 118.93 2qpo h VAL 96 Ca 0.05 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.42 2qpo h VAL 96 Cb 0.68 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2qpo h VAL 96 CO 0.04 0.11 0.18 0.50 0.02 0.00 0.00 177.57 178.43 2qpo h LYS 97 N 0.59 0.36 -0.58 1.57 3.64 -1.15 -1.07 116.57 119.93 2qpo h LYS 97 Ca 0.17 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.61 2qpo h LYS 97 Cb -0.04 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.64 2qpo h LYS 97 CO -0.06 0.24 0.25 -0.44 -2.27 0.00 0.00 179.45 177.17 2qpo h ASP 98 N 0.37 0.29 -0.86 4.20 5.19 -1.15 -0.65 116.42 123.81 2qpo h ASP 98 Ca 0.20 0.06 0.05 0.00 -0.62 0.00 0.00 57.03 56.73 2qpo h ASP 98 Cb 0.17 0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.64 2qpo h ASP 98 CO -0.18 0.18 0.54 -0.07 -3.12 0.00 0.00 179.24 176.59 2qpo h LEU 99 N 0.45 0.87 -0.67 1.55 3.38 -0.68 -1.77 115.31 118.45 2qpo h LEU 99 Ca 0.28 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 2qpo h LEU 99 Cb 0.30 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2qpo h LEU 99 CO -0.25 0.57 0.19 -0.07 0.09 0.00 0.00 178.44 178.97 2qpo h LEU 100 N 1.01 1.00 -1.59 1.67 3.38 -0.27 -2.09 115.31 118.42 2qpo h LEU 100 Ca 0.37 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2qpo h LEU 100 Cb 0.12 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2qpo h LEU 100 CO -0.15 0.95 -0.08 0.44 0.09 0.00 0.00 178.44 179.69 2qpo h ASP 101 N 0.99 0.00 -0.36 -0.43 3.32 -0.54 0.36 116.42 119.76 2qpo h ASP 101 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2qpo h ASP 101 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2qpo h ASP 101 CO -0.00 0.08 0.00 0.54 -1.72 0.00 0.00 179.24 178.14 2qpo n ARG 102 N -3.27 1.84 -0.86 3.56 1.74 -0.72 -4.87 116.66 114.09 2qpo n ARG 102 Ca -0.00 -1.31 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 2qpo n ARG 102 Cb 0.31 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 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 1.09 0.54 3.65 -0.13 0.00 -0.75 -4.92 105.19 104.67 2qpo n GLY 103 Ca 0.13 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 5.31 0.21 -0.61 1.01 -0.81 -4.19 121.20 120.13 2qpo s ILE 104 Ca 0.00 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.65 2qpo s ILE 104 Cb 0.00 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 38.83 2qpo s ILE 104 CO 0.00 0.31 1.28 -1.81 0.00 0.00 0.00 174.94 174.72 2qpo s ASP 105 N 1.17 6.94 -0.03 3.58 1.01 -0.91 -3.94 116.67 124.49 2qpo s ASP 105 Ca 0.10 2.38 0.07 0.00 0.71 0.00 0.00 52.55 55.81 2qpo s ASP 105 Cb -0.14 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.16 2qpo s ASP 105 CO 0.06 -0.48 -0.25 -0.69 0.21 0.00 0.00 175.17 174.02 2qpo s VAL 106 N -0.03 1.95 -0.06 -1.27 1.01 -0.70 -0.75 120.40 120.56 2qpo s VAL 106 Ca 0.55 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2qpo s VAL 106 Cb -0.36 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.41 2qpo s VAL 106 CO 0.39 0.55 -0.10 -0.36 0.00 0.00 0.00 175.10 175.58 2qpo s PHE 107 N -0.47 1.22 -0.05 5.22 0.08 0.02 -2.07 117.98 121.93 2qpo s PHE 107 Ca 0.06 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.72 2qpo s PHE 107 Cb -0.10 -0.93 0.00 0.00 -0.57 0.00 0.00 43.02 41.41 2qpo s PHE 107 CO 0.00 -0.25 -0.15 0.00 -0.10 0.00 0.00 175.22 174.72 2qpo s ALA 109 N 0.25 2.43 0.02 0.00 0.00 -0.11 -0.60 121.76 123.76 2qpo s ALA 109 Ca -0.08 -1.19 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 2qpo s ALA 109 Cb -0.13 -0.65 0.11 0.00 0.00 0.00 0.00 23.12 22.45 2qpo s ALA 109 CO 0.03 0.55 1.24 0.20 0.00 0.00 0.00 175.76 177.78 2qpo s GLY 110 N -1.21 -0.33 0.23 0.00 0.00 -0.93 -0.79 107.32 104.30 2qpo s GLY 110 Ca 0.13 0.48 -0.30 0.00 0.00 0.00 0.00 44.72 45.03 2qpo s GLY 110 CO 0.03 0.97 1.16 1.08 0.00 0.00 0.00 173.10 176.35 2qpo s LEU 111 N -3.11 4.49 0.01 0.66 1.43 -1.26 -3.79 118.68 117.10 2qpo s LEU 111 Ca 0.16 2.28 -0.12 0.00 -1.03 0.00 0.00 54.13 55.42 2qpo s LEU 111 Cb 0.03 -3.62 -0.33 0.00 0.03 0.00 0.00 46.19 42.30 2qpo s LEU 111 CO -0.02 -0.29 0.90 -2.24 0.23 0.00 0.00 176.35 174.92 2qpo h ASP 112 N 4.55 0.70 -4.31 2.29 3.04 -1.93 -3.43 116.42 117.32 2qpo h ASP 112 Ca -0.46 -0.84 -0.49 0.00 -3.24 0.00 0.00 57.03 52.00 2qpo h ASP 112 Cb 1.21 -0.23 -0.24 0.00 -1.04 0.00 0.00 39.33 39.04 2qpo h ASP 112 CO 0.71 1.68 -0.81 -0.76 -2.04 0.00 0.00 179.24 178.02 2qpo s LEU 113 N -7.40 2.20 0.77 0.15 1.43 -1.26 -1.30 118.68 113.26 2qpo s LEU 113 Ca -0.11 -0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 2qpo s LEU 113 Cb 0.05 -0.73 0.05 0.00 0.03 0.00 0.00 46.19 45.59 2qpo s LEU 113 CO 0.90 0.06 1.08 0.42 0.23 0.00 0.00 176.35 179.04 2qpo s THR 114 N -0.93 3.39 -0.27 5.49 -4.23 0.55 -4.80 115.64 114.84 2qpo s THR 114 Ca 0.03 0.45 0.10 0.00 -1.18 0.00 0.00 61.69 61.09 2qpo s THR 114 Cb -0.09 -3.18 0.10 0.00 1.34 0.00 0.00 72.50 70.68 2qpo s THR 114 CO 0.02 -0.59 1.20 0.00 -0.54 0.00 0.00 174.62 174.71 2qpo n HIS 115 N -3.35 0.33 -0.16 3.99 1.44 -1.26 0.11 115.22 116.33 2qpo n HIS 115 Ca 0.07 0.17 0.11 0.00 -2.01 0.00 0.00 57.72 56.07 2qpo n HIS 115 Cb 0.55 -0.63 0.28 0.00 0.12 0.00 0.00 29.99 30.31 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 -1.84 2.65 -2.25 -1.40 5.02 -1.26 -4.38 118.16 114.71 2qpo n LYS 116 Ca -0.01 -2.50 -0.18 0.00 -2.02 0.00 0.00 58.31 53.61 2qpo n LYS 116 Cb 0.22 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 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 1.51 -1.41 -3.54 1.97 6.02 0.31 -5.04 117.38 117.21 2qpo n GLN 117 Ca 0.22 0.90 -0.33 0.00 -0.01 0.00 0.00 57.00 57.78 2qpo n GLN 117 Cb 0.60 -5.36 -0.05 0.00 1.02 0.00 0.00 30.24 26.44 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 -2.26 6.61 0.30 1.08 0.01 -1.26 -4.83 114.94 114.59 2qpo s ASN 118 Ca 0.00 0.79 -0.29 0.00 -0.71 0.00 0.00 52.86 52.65 2qpo s ASN 118 Cb 0.00 -2.18 -0.11 0.00 0.41 0.00 0.00 41.25 39.38 2qpo s ASN 118 CO 0.00 0.06 1.46 -2.84 -1.51 0.00 0.00 177.10 174.27 2qpo s PRO 119 N -2.39 4.22 -0.44 -0.60 0.02 -1.26 -0.33 135.00 134.22 2qpo s PRO 119 Ca 0.40 2.40 -0.29 0.00 0.02 0.00 0.00 61.00 63.53 2qpo s PRO 119 Cb -0.13 -3.06 0.02 0.00 0.02 0.00 0.00 34.50 31.35 2qpo s PRO 119 CO 0.21 -0.44 1.29 -0.06 -0.33 0.00 0.00 177.00 177.67 2qpo s PHE 120 N -0.42 2.58 0.22 6.54 0.08 -0.42 -4.79 117.98 121.76 2qpo s PHE 120 Ca 0.57 0.69 -0.08 0.00 0.12 0.00 0.00 56.93 58.23 2qpo s PHE 120 Cb -0.44 -4.37 0.32 0.00 -0.57 0.00 0.00 43.02 37.96 2qpo s PHE 120 CO 0.50 -1.66 1.73 1.49 -0.10 0.00 0.00 175.22 177.18 2qpo h GLU 121 N 10.05 0.37 -0.44 0.44 4.81 -1.91 0.13 114.58 128.03 2qpo h GLU 121 Ca -0.25 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.90 2qpo h GLU 121 Cb 1.08 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 2qpo h GLU 121 CO 1.11 0.25 0.06 1.15 -0.73 0.00 0.00 179.01 180.84 2qpo h THR 122 N 0.38 1.25 -0.62 0.32 2.02 -1.85 -0.39 112.91 114.02 2qpo h THR 122 Ca 0.33 -0.92 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 2qpo h THR 122 Cb 0.45 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 2qpo h THR 122 CO -0.35 0.32 0.24 0.74 0.37 0.00 0.00 175.52 176.84 2qpo h THR 123 N 0.59 1.23 -0.13 3.16 2.02 -1.67 -1.77 112.91 116.35 2qpo h THR 123 Ca 0.13 -0.73 0.05 0.00 0.77 0.00 0.00 66.41 66.63 2qpo h THR 123 Cb 0.40 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 2qpo h THR 123 CO 0.01 0.28 -0.23 0.00 0.37 0.00 0.00 175.52 175.95 2qpo h ALA 124 N 1.09 -0.20 -1.00 6.16 0.00 -0.53 -1.12 119.26 123.67 2qpo h ALA 124 Ca 0.21 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2qpo h ALA 124 Cb 0.21 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2qpo h ALA 124 CO -0.02 -0.69 0.65 -0.07 0.00 0.00 0.00 179.25 179.13 2qpo h LEU 125 N -0.29 1.10 -1.13 0.00 3.38 -0.79 -2.14 115.31 115.44 2qpo h LEU 125 Ca 0.10 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2qpo h LEU 125 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2qpo h LEU 125 CO -0.30 0.77 -0.18 -0.07 0.09 0.00 0.00 178.44 178.75 2qpo h LEU 126 N 1.29 0.38 -1.11 1.67 3.38 -0.94 -2.68 115.31 117.30 2qpo h LEU 126 Ca 0.39 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 2qpo h LEU 126 Cb -0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2qpo h LEU 126 CO -0.11 0.58 0.09 -0.07 0.09 0.00 0.00 178.44 179.02 2qpo h LEU 127 N 0.36 0.67 -0.99 1.67 3.38 -0.54 -0.22 115.31 119.64 2qpo h LEU 127 Ca 0.06 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2qpo h LEU 127 Cb 0.53 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2qpo h LEU 127 CO 0.03 0.68 -0.38 0.77 0.09 0.00 0.00 178.44 179.64 2qpo h SER 128 N 0.69 0.00 1.06 -0.43 4.64 -1.27 -3.05 113.55 115.19 2qpo h SER 128 Ca 0.15 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.28 2qpo h SER 128 Cb 0.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 2qpo h SER 128 CO 0.00 0.38 -0.95 0.25 -0.87 0.00 0.00 176.83 175.64 2qpo h LEU 129 N 0.00 0.00 -9.83 5.97 5.85 -1.08 -3.48 115.31 112.74 2qpo h LEU 129 Ca -0.00 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.16 2qpo h LEU 129 Cb 0.87 0.00 0.12 0.00 0.37 0.00 0.00 40.66 42.02 2qpo h LEU 129 CO 0.05 0.92 0.57 0.00 -0.34 0.00 0.00 178.44 179.64 2qpo n ALA 130 N -2.34 1.58 0.10 1.25 0.00 -0.16 -4.88 120.51 116.06 2qpo n ALA 130 Ca -0.00 0.32 -0.16 0.00 0.00 0.00 0.00 53.44 53.60 2qpo n ALA 130 Cb 0.91 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 17.94 2qpo n ALA 130 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qpo h ASP 131 N 2.46 0.46 -3.94 0.00 3.32 -0.87 -3.46 116.42 114.38 2qpo h ASP 131 Ca -0.48 -0.46 -0.37 0.00 0.02 0.00 0.00 57.03 55.74 2qpo h ASP 131 Cb 1.28 -0.15 -0.29 0.00 0.22 0.00 0.00 39.33 40.39 2qpo h ASP 131 CO 0.62 1.33 -0.77 -0.89 -1.72 0.00 0.00 179.24 177.81 2qpo s THR 132 N -2.79 0.59 -0.12 0.35 2.01 -0.47 -5.02 115.64 110.19 2qpo s THR 132 Ca -0.04 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 61.67 2qpo s THR 132 Cb 0.07 -0.51 0.02 0.00 0.01 0.00 0.00 72.50 72.09 2qpo s THR 132 CO 0.88 0.17 -0.16 -0.69 -0.69 0.00 0.00 174.62 174.14 2qpo s VAL 133 N -0.08 1.58 -0.29 3.82 1.01 -1.26 -1.12 120.40 124.06 2qpo s VAL 133 Ca 0.02 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 2qpo s VAL 133 Cb -0.04 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 34.91 2qpo s VAL 133 CO -0.00 0.46 0.05 -0.63 0.00 0.00 0.00 175.10 174.98 2qpo s ILE 134 N 1.05 3.71 -0.26 2.22 1.01 0.53 -4.97 121.20 124.48 2qpo s ILE 134 Ca -0.05 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 2qpo s ILE 134 Cb -0.15 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 2qpo s ILE 134 CO -0.03 0.07 0.45 -0.54 0.00 0.00 0.00 174.94 174.89 2qpo s LYS 135 N 1.45 4.05 0.01 2.79 -0.14 -1.26 -0.15 119.74 126.49 2qpo s LYS 135 Ca 0.01 0.21 -0.01 0.00 -1.36 0.00 0.00 55.97 54.82 2qpo s LYS 135 Cb -0.17 -3.65 -0.04 0.00 -1.68 0.00 0.00 37.83 32.29 2qpo s LYS 135 CO 0.01 -0.32 0.13 0.15 -0.76 0.00 0.00 175.35 174.56 2qpo s LYS 136 N 2.19 3.20 0.16 1.68 -0.14 0.23 -4.95 119.74 122.11 2qpo s LYS 136 Ca 0.19 -0.45 0.10 0.00 -1.36 0.00 0.00 55.97 54.44 2qpo s LYS 136 Cb -0.16 -2.94 -0.04 0.00 -1.68 0.00 0.00 37.83 33.01 2qpo s LYS 136 CO 0.09 0.64 -0.17 0.15 -0.76 0.00 0.00 175.35 175.31 2qpo s LYS 137 N -1.94 1.78 0.48 1.68 1.02 -1.26 -4.21 119.74 117.29 2qpo s LYS 137 Ca 0.26 -1.32 0.06 0.00 0.02 0.00 0.00 55.97 54.99 2qpo s LYS 137 Cb -0.12 -2.04 -0.00 0.00 -0.52 0.00 0.00 37.83 35.15 2qpo s LYS 137 CO 0.18 0.44 0.32 0.00 -0.92 0.00 0.00 175.35 175.36 2qpo s ALA 138 N -1.50 4.11 0.02 5.17 0.00 -0.71 -4.51 121.76 124.34 2qpo s ALA 138 Ca 0.21 -1.58 -0.30 0.00 0.00 0.00 0.00 51.96 50.29 2qpo s ALA 138 Cb -0.09 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 2qpo s ALA 138 CO 0.12 -0.30 1.00 0.08 0.00 0.00 0.00 175.76 176.65 2qpo s VAL 139 N -2.67 4.75 0.09 0.00 1.01 -1.26 -1.81 120.40 120.52 2qpo s VAL 139 Ca 0.38 2.00 -0.31 0.00 0.00 0.00 0.00 61.98 64.04 2qpo s VAL 139 Cb -0.01 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 2qpo s VAL 139 CO 0.22 0.17 1.66 0.00 0.00 0.00 0.00 175.10 177.15 2qpo h HIS 141 N 8.07 0.75 0.19 0.00 2.76 -1.10 -0.63 115.15 125.19 2qpo h HIS 141 Ca -0.43 -0.11 -0.32 0.00 -2.20 0.00 0.00 60.37 57.31 2qpo h HIS 141 Cb 1.20 -0.20 0.02 0.00 1.55 0.00 0.00 27.41 29.98 2qpo h HIS 141 CO 0.76 0.73 -1.51 -0.09 -1.30 0.00 0.00 177.93 176.52 2qpo h ARG 142 N 0.65 0.39 0.08 5.26 2.43 -1.91 -3.41 114.38 117.87 2qpo h ARG 142 Ca 0.12 -0.67 -0.37 0.00 -0.81 0.00 0.00 59.98 58.25 2qpo h ARG 142 Cb 0.48 0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 2qpo h ARG 142 CO 0.02 1.30 -2.12 0.00 -1.51 0.00 0.00 179.97 177.67 2qpo n GLY 144 N 2.04 0.95 3.88 0.00 0.00 -0.25 -4.99 105.19 106.82 2qpo n GLY 144 Ca -0.36 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.14 3.74 -1.38 1.61 2.02 -1.26 -4.73 118.70 118.55 2qpo s GLU 145 Ca 0.00 0.29 -0.16 0.00 0.02 0.00 0.00 54.97 55.12 2qpo s GLU 145 Cb 0.00 -2.51 0.06 0.00 0.10 0.00 0.00 34.13 31.77 2qpo s GLU 145 CO 0.00 0.10 2.00 0.98 0.02 0.00 0.00 175.26 178.36 2qpo n TYR 146 N -1.01 4.06 -1.83 1.61 9.36 -1.26 -0.37 117.16 127.72 2qpo n TYR 146 Ca 0.01 -2.92 0.00 0.00 3.32 0.00 0.00 57.90 58.31 2qpo n TYR 146 Cb 0.54 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 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 7.12 0.00 -4.73 2.98 6.94 -1.10 -4.94 115.26 121.54 2qpo n ASN 147 Ca 0.50 -1.11 -0.41 0.00 -0.02 0.00 0.00 54.58 53.54 2qpo n ASN 147 Cb 0.42 -0.02 -0.04 0.00 -2.36 0.00 0.00 39.78 37.78 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 3.32 0.00 -2.53 0.00 -0.75 -4.39 121.76 117.42 2qpo s ALA 148 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2qpo s ALA 148 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2qpo s ALA 148 CO 0.00 -0.19 0.05 0.25 0.00 0.00 0.00 175.76 175.87 2qpo n THR 149 N 2.82 0.00 -4.33 0.00 -2.24 -0.97 -1.74 114.28 107.82 2qpo n THR 149 Ca 0.04 -0.26 -0.23 0.00 -2.27 0.00 0.00 64.05 61.32 2qpo n THR 149 Cb 0.47 1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.83 2.40 -0.00 3.22 1.43 -0.82 -4.00 118.68 120.07 2qpo s LEU 150 Ca 0.00 -0.81 0.03 0.00 -1.03 0.00 0.00 54.13 52.31 2qpo s LEU 150 Cb 0.00 -0.89 -0.03 0.00 0.03 0.00 0.00 46.19 45.29 2qpo s LEU 150 CO 0.00 0.01 -0.05 -0.89 0.23 0.00 0.00 176.35 175.65 2qpo s THR 151 N -1.75 3.79 -0.06 5.49 2.01 -1.26 -0.83 115.64 123.03 2qpo s THR 151 Ca 0.14 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.44 2qpo s THR 151 Cb -0.07 -2.66 0.02 0.00 0.01 0.00 0.00 72.50 69.80 2qpo s THR 151 CO 0.06 0.40 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.11 2qpo s LEU 152 N -1.41 1.33 0.00 4.42 2.96 0.36 -4.33 118.68 122.00 2qpo s LEU 152 Ca 0.17 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 2qpo s LEU 152 Cb -0.11 -0.59 0.00 0.00 0.50 0.00 0.00 46.19 45.99 2qpo s LEU 152 CO 0.08 -0.05 0.00 1.17 -1.32 0.00 0.00 176.35 176.23 2qpo n LYS 153 N 4.18 0.00 0.00 1.98 4.81 -1.26 -2.06 118.16 125.81 2qpo n LYS 153 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 2qpo n LYS 153 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 2qpo n LYS 153 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2qpo n LYS 168 N 5.92 0.00 -4.27 1.64 4.81 -1.26 -5.04 118.16 119.96 2qpo n LYS 168 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 2qpo n LYS 168 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 2qpo n LYS 168 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2qpo s TYR 169 N 0.00 2.65 -0.01 5.64 1.51 -1.26 -5.13 117.35 120.76 2qpo s TYR 169 Ca 0.00 -0.21 -0.00 0.00 -1.01 0.00 0.00 57.07 55.85 2qpo s TYR 169 Cb 0.00 -1.36 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2qpo s TYR 169 CO 0.00 0.45 0.02 -1.50 -1.11 0.00 0.00 175.55 173.41 2qpo s ILE 170 N -1.39 -0.01 -0.10 2.71 2.07 -0.87 -4.97 121.20 118.64 2qpo s ILE 170 Ca 0.22 0.03 -0.13 0.00 -1.41 0.00 0.00 60.65 59.36 2qpo s ILE 170 Cb -0.10 -0.04 -0.05 0.00 0.13 0.00 0.00 42.46 42.40 2qpo s ILE 170 CO 0.14 0.01 0.32 0.00 -1.91 0.00 0.00 174.94 173.49 2qpo s ALA 171 N 0.15 3.67 0.05 1.50 0.00 -1.26 -0.48 121.76 125.38 2qpo s ALA 171 Ca -0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 2qpo s ALA 171 Cb -0.02 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.75 2qpo s ALA 171 CO -0.00 0.31 0.04 0.14 0.00 0.00 0.00 175.76 176.24 2qpo s VAL 172 N -0.30 0.16 0.79 0.00 -7.23 -0.01 -0.44 120.40 113.37 2qpo s VAL 172 Ca 0.19 -1.36 -0.12 0.00 -1.81 0.00 0.00 61.98 58.89 2qpo s VAL 172 Cb -0.14 -1.10 0.06 0.00 0.56 0.00 0.00 36.38 35.77 2qpo s VAL 172 CO 0.07 -0.75 1.15 0.00 -0.31 0.00 0.00 175.10 175.27 2qpo h ARG 174 N -0.97 0.94 -0.53 0.00 2.43 -1.98 -0.60 114.38 113.67 2qpo h ARG 174 Ca -0.46 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 58.45 2qpo h ARG 174 Cb 1.31 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 2qpo h ARG 174 CO 0.65 0.88 0.25 -0.44 -1.51 0.00 0.00 179.97 179.81 2qpo h ASP 175 N 0.89 0.70 -0.01 -3.80 3.32 -1.98 -2.75 116.42 112.79 2qpo h ASP 175 Ca 0.18 -0.13 -0.23 0.00 0.02 0.00 0.00 57.03 56.87 2qpo h ASP 175 Cb 0.41 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.79 2qpo h ASP 175 CO 0.01 0.63 -0.85 0.00 -1.72 0.00 0.00 179.24 177.31 2qpo h TYR 177 N 0.44 0.91 0.00 0.00 3.20 -1.15 -1.27 116.97 119.11 2qpo h TYR 177 Ca -0.07 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 2qpo h TYR 177 Cb 1.48 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 2qpo h TYR 177 CO 0.08 0.03 -0.56 -0.91 -1.64 0.00 0.00 178.16 175.16 2qpo h ASN 178 N 0.50 0.00 0.42 -2.11 2.35 -1.13 -2.41 115.58 113.21 2qpo h ASN 178 Ca 0.65 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 56.18 2qpo h ASN 178 Cb 1.37 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.74 2qpo h ASN 178 CO -0.45 0.36 -0.92 0.74 -1.65 0.00 0.00 177.43 175.51 2qpo h THR 179 N 0.00 1.43 0.00 2.81 2.02 -1.00 -3.34 112.91 114.83 2qpo h THR 179 Ca -0.03 -2.51 -0.04 0.00 0.77 0.00 0.00 66.41 64.60 2qpo h THR 179 Cb 1.30 2.44 -0.01 0.00 -1.74 0.00 0.00 68.15 70.14 2qpo h THR 179 CO 0.04 0.74 -0.99 -0.07 0.37 0.00 0.00 175.52 175.62 2qpo h LEU 180 N 0.19 0.00 0.00 2.58 3.38 -1.30 -3.51 115.31 116.65 2qpo h LEU 180 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2qpo h LEU 180 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 2qpo h LEU 180 CO 0.15 0.16 0.00 0.29 0.09 0.00 0.00 178.44 179.13