#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qqe s GLY 3 N 0.00 1.67 -0.04 5.00 0.00 0.14 -4.82 107.32 109.27 2qqe s GLY 3 Ca 0.00 0.30 0.03 0.00 0.00 0.00 0.00 44.72 45.04 2qqe s GLY 3 CO 0.00 0.68 -0.10 0.54 0.00 0.00 0.00 173.10 174.22 2qqe s LYS 4 N -4.84 2.56 -0.24 2.90 -0.14 -1.26 -4.86 119.74 113.85 2qqe s LYS 4 Ca 0.63 -0.67 -0.07 0.00 -1.36 0.00 0.00 55.97 54.49 2qqe s LYS 4 Cb -0.19 -2.46 -0.03 0.00 -1.68 0.00 0.00 37.83 33.47 2qqe s LYS 4 CO 0.57 0.63 0.08 -1.17 -0.76 0.00 0.00 175.35 174.69 2qqe s LEU 5 N -0.95 3.50 -0.15 3.17 2.96 -1.26 -1.38 118.68 124.57 2qqe s LEU 5 Ca 0.13 -0.17 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 2qqe s LEU 5 Cb -0.11 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 2qqe s LEU 5 CO 0.03 -0.02 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.11 2qqe s THR 6 N 1.51 3.90 -0.15 3.68 2.01 -0.38 -0.29 115.64 125.94 2qqe s THR 6 Ca 0.06 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.72 2qqe s THR 6 Cb -0.15 -2.70 0.01 0.00 0.01 0.00 0.00 72.50 69.67 2qqe s THR 6 CO 0.04 0.50 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.58 2qqe s VAL 7 N 0.27 2.20 -0.18 3.82 1.01 -0.22 -1.31 120.40 126.00 2qqe s VAL 7 Ca -0.03 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 2qqe s VAL 7 Cb -0.14 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 2qqe s VAL 7 CO 0.03 0.54 0.14 -0.63 0.00 0.00 0.00 175.10 175.18 2qqe s ILE 8 N 0.84 5.42 0.28 2.22 1.01 -0.21 0.12 121.20 130.87 2qqe s ILE 8 Ca -0.06 0.22 -0.16 0.00 0.00 0.00 0.00 60.65 60.65 2qqe s ILE 8 Cb -0.15 -3.47 0.01 0.00 0.01 0.00 0.00 42.46 38.86 2qqe s ILE 8 CO -0.02 0.48 0.60 0.28 0.00 0.00 0.00 174.94 176.28 2qqe s THR 9 N 0.06 0.00 -5.00 2.92 -1.32 -0.54 -1.73 115.64 110.03 2qqe s THR 9 Ca 0.10 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.37 2qqe s THR 9 Cb -0.11 -2.19 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 2qqe s THR 9 CO -0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2qqe n GLY 10 N -0.43 0.07 3.19 6.08 0.00 -1.24 -0.86 105.19 112.00 2qqe n GLY 10 Ca -0.03 -1.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.06 2qqe n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qqe n PRO 11 N -0.39 -0.97 -1.16 1.61 -0.04 -1.26 -3.84 135.00 128.95 2qqe n PRO 11 Ca 0.00 -1.75 -0.33 0.00 -0.04 0.00 0.00 63.50 61.39 2qqe n PRO 11 Cb 0.00 -1.08 0.12 0.00 -0.04 0.00 0.00 33.50 32.50 2qqe n PRO 11 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2qqe s MET 12 N -5.33 1.79 -1.27 0.54 -1.94 -1.26 -3.37 119.30 108.46 2qqe s MET 12 Ca 0.62 1.57 -0.00 0.00 -1.71 0.00 0.00 55.69 56.17 2qqe s MET 12 Cb -0.02 -1.81 0.00 0.00 2.01 0.00 0.00 34.83 35.01 2qqe s MET 12 CO 0.43 -2.06 0.04 0.66 -0.01 0.00 0.00 175.02 174.08 2qqe n TYR 13 N -3.37 -0.79 0.46 -0.03 4.01 -1.26 -4.68 117.16 111.51 2qqe n TYR 13 Ca 0.12 0.04 0.10 0.00 -0.16 0.00 0.00 57.90 58.00 2qqe n TYR 13 Cb 0.51 -3.19 0.14 0.00 -0.31 0.00 0.00 39.34 36.50 2qqe n TYR 13 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2qqe n SER 14 N -0.92 2.98 -0.52 7.72 7.64 -1.22 -4.46 113.62 124.84 2qqe n SER 14 Ca -0.17 -1.88 -0.07 0.00 1.01 0.00 0.00 58.87 57.76 2qqe n SER 14 Cb 0.63 -0.13 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 2qqe n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qqe n GLY 15 N 1.18 0.90 0.32 0.23 0.00 -1.26 -4.62 105.19 101.94 2qqe n GLY 15 Ca 0.15 -0.74 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 2qqe n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qqe h LYS 16 N 0.00 0.92 -0.10 1.61 1.57 -1.93 -1.33 116.57 117.31 2qqe h LYS 16 Ca -0.14 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.44 2qqe h LYS 16 Cb 0.45 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2qqe h LYS 16 CO 0.20 0.77 -0.10 1.15 -0.57 0.00 0.00 179.45 180.90 2qqe h THR 17 N 0.89 1.36 -0.27 -0.16 2.02 -1.98 -0.47 112.91 114.30 2qqe h THR 17 Ca 0.21 -1.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 2qqe h THR 17 Cb 0.22 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 2qqe h THR 17 CO -0.01 0.36 0.01 0.74 0.37 0.00 0.00 175.52 176.98 2qqe h THR 18 N -0.18 1.16 -0.23 3.16 2.02 -1.97 -0.85 112.91 116.02 2qqe h THR 18 Ca 0.01 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.52 2qqe h THR 18 Cb 0.62 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 2qqe h THR 18 CO 0.02 0.22 -0.04 -0.08 0.37 0.00 0.00 175.52 176.01 2qqe h GLU 19 N 0.39 0.44 -0.88 6.66 4.57 -1.06 -2.07 114.58 122.63 2qqe h GLU 19 Ca 0.09 -0.16 0.08 0.00 -1.18 0.00 0.00 59.36 58.19 2qqe h GLU 19 Cb 0.25 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.75 2qqe h GLU 19 CO 0.01 0.65 0.57 1.25 -1.18 0.00 0.00 179.01 180.31 2qqe h LEU 20 N 0.18 0.84 -1.18 1.64 5.85 -0.62 -2.45 115.31 119.58 2qqe h LEU 20 Ca 0.06 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2qqe h LEU 20 Cb 0.48 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2qqe h LEU 20 CO 0.02 0.52 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.20 2qqe h LEU 21 N 0.94 0.00 -1.03 2.25 3.38 -1.05 -1.65 115.31 118.16 2qqe h LEU 21 Ca 0.39 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.52 2qqe h LEU 21 Cb 0.28 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.94 2qqe h LEU 21 CO -0.15 0.37 0.62 0.28 0.09 0.00 0.00 178.44 179.65 2qqe h SER 22 N 0.00 0.84 0.22 -0.43 0.02 -0.87 -0.39 113.55 112.95 2qqe h SER 22 Ca -0.00 0.07 -0.27 0.00 -0.84 0.00 0.00 61.79 60.75 2qqe h SER 22 Cb 0.75 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 63.22 2qqe h SER 22 CO 0.05 0.37 -1.10 -0.26 -1.14 0.00 0.00 176.83 174.75 2qqe h PHE 23 N 0.86 0.83 -0.83 3.45 0.04 -1.31 -3.06 116.94 116.92 2qqe h PHE 23 Ca 0.54 -0.49 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 2qqe h PHE 23 Cb 0.73 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.76 2qqe h PHE 23 CO -0.00 1.33 0.45 0.28 -0.60 0.00 0.00 178.31 179.77 2qqe h VAL 24 N 0.27 1.25 -0.21 -0.55 2.07 -1.02 -1.99 116.25 116.07 2qqe h VAL 24 Ca -0.13 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 2qqe h VAL 24 Cb 1.76 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 2qqe h VAL 24 CO 0.20 0.28 -0.17 -0.08 0.02 0.00 0.00 177.57 177.83 2qqe h GLU 25 N 1.17 0.35 -0.64 1.57 4.81 -1.12 -2.12 114.58 118.59 2qqe h GLU 25 Ca 0.29 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 2qqe h GLU 25 Cb 0.04 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 2qqe h GLU 25 CO -0.05 0.52 0.20 0.82 -0.73 0.00 0.00 179.01 179.77 2qqe h ILE 26 N 0.33 1.25 -0.12 2.32 1.08 -1.26 -1.41 117.51 119.69 2qqe h ILE 26 Ca 0.06 -0.86 -0.21 0.00 -0.39 0.00 0.00 64.86 63.46 2qqe h ILE 26 Cb 0.49 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 2qqe h ILE 26 CO 0.03 0.33 -0.75 1.88 -0.69 0.00 0.00 178.15 178.95 2qqe h TYR 27 N 0.93 0.85 -0.22 1.37 -1.99 -1.19 -0.99 116.97 115.72 2qqe h TYR 27 Ca 0.21 -0.37 -0.13 0.00 2.00 0.00 0.00 58.73 60.44 2qqe h TYR 27 Cb 0.30 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 38.90 2qqe h TYR 27 CO 0.02 1.17 -0.35 0.87 -0.00 0.00 0.00 178.16 179.88 2qqe h LYS 28 N 0.43 0.63 -0.79 4.88 1.57 -1.36 0.19 116.57 122.12 2qqe h LYS 28 Ca -0.04 -0.38 0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2qqe h LYS 28 Cb 1.36 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.67 2qqe h LYS 28 CO 0.15 0.99 0.53 -0.07 -0.57 0.00 0.00 179.45 180.47 2qqe h LEU 29 N 0.33 0.91 0.00 2.94 3.38 -1.27 -1.05 115.31 120.55 2qqe h LEU 29 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qqe h LEU 29 Cb 0.94 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2qqe h LEU 29 CO 0.08 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.87 2qqe n GLY 30 N -1.41 -0.76 3.69 0.83 0.00 -0.38 -4.89 105.19 102.27 2qqe n GLY 30 Ca 0.09 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 2qqe n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qqe n LYS 31 N -0.75 -4.05 -4.52 1.61 4.76 -0.40 -5.02 118.16 109.80 2qqe n LYS 31 Ca 0.09 0.59 -0.31 0.00 -2.87 0.00 0.00 58.31 55.82 2qqe n LYS 31 Cb 0.04 -5.01 -0.12 0.00 -1.84 0.00 0.00 35.03 28.10 2qqe n LYS 31 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2qqe s LYS 32 N -5.91 2.12 0.05 1.97 1.02 0.63 -5.03 119.74 114.59 2qqe s LYS 32 Ca 0.10 -0.97 -0.30 0.00 0.02 0.00 0.00 55.97 54.82 2qqe s LYS 32 Cb -0.03 -2.25 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 2qqe s LYS 32 CO 0.82 0.54 1.02 0.21 -0.92 0.00 0.00 175.35 177.02 2qqe s LYS 33 N -1.64 4.57 0.29 1.68 2.47 -1.26 -4.38 119.74 121.47 2qqe s LYS 33 Ca 0.16 1.51 0.09 0.00 -1.56 0.00 0.00 55.97 56.17 2qqe s LYS 33 Cb -0.11 -3.41 -0.06 0.00 -1.46 0.00 0.00 37.83 32.79 2qqe s LYS 33 CO 0.07 -0.02 -0.11 0.14 0.16 0.00 0.00 175.35 175.59 2qqe s VAL 34 N 0.72 2.01 -0.06 4.02 -7.23 -1.26 -0.91 120.40 117.69 2qqe s VAL 34 Ca 0.52 -2.22 -0.02 0.00 -1.81 0.00 0.00 61.98 58.45 2qqe s VAL 34 Cb -0.23 -2.43 0.04 0.00 0.56 0.00 0.00 36.38 34.31 2qqe s VAL 34 CO 0.29 -0.33 0.11 0.00 -0.31 0.00 0.00 175.10 174.86 2qqe s ALA 35 N -2.78 -0.04 -0.06 1.32 0.00 -0.33 -4.96 121.76 114.91 2qqe s ALA 35 Ca 0.30 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.73 2qqe s ALA 35 Cb 0.01 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 2qqe s ALA 35 CO 0.13 -0.36 -0.13 0.08 0.00 0.00 0.00 175.76 175.47 2qqe s VAL 36 N 1.77 3.12 0.06 0.00 1.01 -1.26 -1.01 120.40 124.09 2qqe s VAL 36 Ca -0.02 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.31 2qqe s VAL 36 Cb -0.12 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2qqe s VAL 36 CO -0.05 0.58 -0.11 -0.36 0.00 0.00 0.00 175.10 175.17 2qqe s PHE 37 N -0.61 0.95 0.04 5.22 0.08 0.12 -0.08 117.98 123.69 2qqe s PHE 37 Ca 0.09 -0.48 -0.04 0.00 0.12 0.00 0.00 56.93 56.62 2qqe s PHE 37 Cb -0.11 -0.55 -0.02 0.00 -0.57 0.00 0.00 43.02 41.77 2qqe s PHE 37 CO 0.01 -0.01 0.05 -1.59 -0.10 0.00 0.00 175.22 173.58 2qqe s LYS 38 N -1.65 0.53 0.52 0.44 -2.85 -0.47 -1.67 119.74 114.60 2qqe s LYS 38 Ca -0.06 -0.79 -0.07 0.00 -1.00 0.00 0.00 55.97 54.05 2qqe s LYS 38 Cb -0.10 0.20 -0.04 0.00 -2.06 0.00 0.00 37.83 35.83 2qqe s LYS 38 CO 0.01 -0.12 0.86 -1.25 0.10 0.00 0.00 175.35 174.96 2qqe s PRO 39 N -2.57 3.57 -1.15 1.78 0.04 -1.26 -1.66 135.00 133.76 2qqe s PRO 39 Ca -0.05 0.39 -0.17 0.00 0.04 0.00 0.00 61.00 61.21 2qqe s PRO 39 Cb -0.02 -2.28 0.13 0.00 0.04 0.00 0.00 34.50 32.37 2qqe s PRO 39 CO -0.05 -0.31 1.44 0.21 0.04 0.00 0.00 177.00 178.33 2qqe s LYS 40 N -4.84 3.90 0.00 4.56 2.20 -0.64 -4.77 119.74 120.15 2qqe s LYS 40 Ca 0.50 -2.11 0.00 0.00 -0.36 0.00 0.00 55.97 54.00 2qqe s LYS 40 Cb -0.10 -5.17 0.00 0.00 -1.51 0.00 0.00 37.83 31.05 2qqe s LYS 40 CO 0.47 -1.93 0.00 0.28 -0.36 0.00 0.00 175.35 173.81 2qqe n VAL 58 N 5.46 0.00 -1.59 4.02 0.31 -1.26 -4.99 118.33 120.28 2qqe n VAL 58 Ca 0.36 0.00 -0.51 0.00 -0.01 0.00 0.00 64.34 64.18 2qqe n VAL 58 Cb 0.46 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.33 2qqe n VAL 58 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qqe n GLU 59 N 0.00 1.20 -4.35 5.55 2.13 -1.26 -4.97 120.64 118.95 2qqe n GLU 59 Ca 0.00 0.43 -0.34 0.00 0.66 0.00 0.00 57.16 57.91 2qqe n GLU 59 Cb 0.00 -2.04 -0.13 0.00 0.27 0.00 0.00 31.44 29.53 2qqe n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qqe s ALA 60 N 0.31 2.82 -0.19 4.31 0.00 -1.26 -4.32 121.76 123.44 2qqe s ALA 60 Ca 0.81 -0.96 -0.28 0.00 0.00 0.00 0.00 51.96 51.52 2qqe s ALA 60 Cb -0.91 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 20.70 2qqe s ALA 60 CO 0.48 -0.00 0.99 -1.01 0.00 0.00 0.00 175.76 176.22 2qqe s HIS 61 N 0.75 3.39 -0.24 0.00 0.09 0.89 -4.87 115.29 115.30 2qqe s HIS 61 Ca -0.03 1.45 -0.26 0.00 -0.00 0.00 0.00 55.06 56.21 2qqe s HIS 61 Cb -0.15 -3.20 0.00 0.00 -0.00 0.00 0.00 32.58 29.23 2qqe s HIS 61 CO 0.02 -0.38 0.92 0.08 -0.00 0.00 0.00 174.74 175.38 2qqe s VAL 62 N 2.74 4.76 0.21 -0.90 1.01 -1.26 -1.36 120.40 125.60 2qqe s VAL 62 Ca 0.44 1.76 0.03 0.00 0.00 0.00 0.00 61.98 64.21 2qqe s VAL 62 Cb -0.16 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2qqe s VAL 62 CO 0.10 -0.13 -0.01 0.27 0.00 0.00 0.00 175.10 175.33 2qqe s ILE 63 N 3.01 0.97 -0.17 2.22 -0.00 -0.67 -4.95 121.20 121.62 2qqe s ILE 63 Ca 0.39 -2.03 -0.02 0.00 -0.00 0.00 0.00 60.65 58.99 2qqe s ILE 63 Cb -0.15 -2.24 -0.09 0.00 -0.00 0.00 0.00 42.46 39.97 2qqe s ILE 63 CO 0.07 -0.40 -0.17 -0.62 -0.00 0.00 0.00 174.94 173.82 2qqe n GLU 64 N -0.36 0.39 -4.13 0.37 1.02 -1.26 -1.63 120.64 115.05 2qqe n GLU 64 Ca -0.06 0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 56.89 2qqe n GLU 64 Cb 0.63 -1.25 -0.08 0.00 -0.02 0.00 0.00 31.44 30.73 2qqe n GLU 64 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2qqe s ARG 65 N -2.32 2.70 0.41 3.49 0.52 -1.26 -4.75 118.95 117.74 2qqe s ARG 65 Ca -0.23 -0.75 0.11 0.00 -0.52 0.00 0.00 55.73 54.35 2qqe s ARG 65 Cb 0.07 -2.63 0.93 0.00 0.52 0.00 0.00 34.95 33.84 2qqe s ARG 65 CO 0.35 0.56 1.98 -1.35 0.02 0.00 0.00 175.30 176.86 2qqe h PRO 66 N 3.56 0.51 -0.21 3.54 0.11 -1.94 -2.73 132.00 134.84 2qqe h PRO 66 Ca -0.48 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.66 2qqe h PRO 66 Cb 1.17 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2qqe h PRO 66 CO 0.61 0.34 0.26 0.93 -0.21 0.00 0.00 178.00 179.93 2qqe h GLU 67 N 0.52 0.00 0.00 1.05 3.07 -1.95 -1.81 114.58 115.46 2qqe h GLU 67 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 2qqe h GLU 67 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 2qqe h GLU 67 CO -0.08 0.00 -0.03 0.93 -1.40 0.00 0.00 179.01 178.43 2qqe h GLU 68 N 0.00 0.00 -0.68 2.33 5.08 -1.91 -3.30 114.58 116.10 2qqe h GLU 68 Ca 0.10 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.56 2qqe h GLU 68 Cb 0.61 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 2qqe h GLU 68 CO -0.00 0.00 0.45 0.52 -1.00 0.00 0.00 179.01 178.98 2qqe h MET 69 N 0.00 0.53 0.00 2.33 2.86 -1.49 -2.86 114.93 116.30 2qqe h MET 69 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2qqe h MET 69 Cb 0.93 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.47 2qqe h MET 69 CO 0.00 0.35 0.00 0.00 1.06 0.00 0.00 176.91 178.32 2qqe h ARG 70 N 0.55 0.00 -0.70 1.72 3.08 -1.78 -0.93 114.38 116.32 2qqe h ARG 70 Ca 0.31 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.38 2qqe h ARG 70 Cb 0.49 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.51 2qqe h ARG 70 CO -0.10 0.00 0.46 0.87 -1.07 0.00 0.00 179.97 180.13 2qqe h LYS 71 N 0.00 0.87 -0.05 0.04 1.57 -1.76 -3.30 116.57 113.94 2qqe h LYS 71 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2qqe h LYS 71 Cb 0.21 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2qqe h LYS 71 CO 0.00 0.57 0.00 0.66 -0.57 0.00 0.00 179.45 180.11 2qqe n TYR 72 N -4.44 0.05 -3.47 -1.35 4.01 -0.38 -4.95 117.16 106.63 2qqe n TYR 72 Ca 0.08 -0.04 -0.38 0.00 -0.16 0.00 0.00 57.90 57.40 2qqe n TYR 72 Cb 0.08 -0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.03 2qqe n TYR 72 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2qqe s ILE 73 N -1.22 5.24 0.55 -0.72 1.01 -1.02 -4.95 121.20 120.08 2qqe s ILE 73 Ca 0.18 0.52 -0.04 0.00 0.00 0.00 0.00 60.65 61.31 2qqe s ILE 73 Cb 0.13 -3.65 0.01 0.00 0.01 0.00 0.00 42.46 38.95 2qqe s ILE 73 CO 0.19 0.25 0.83 -1.61 0.00 0.00 0.00 174.94 174.60 2qqe s GLU 74 N 1.44 2.95 0.49 2.79 8.01 -1.26 -4.98 118.70 128.14 2qqe s GLU 74 Ca 0.15 -0.18 0.26 0.00 0.01 0.00 0.00 54.97 55.21 2qqe s GLU 74 Cb -0.15 -2.37 1.25 0.00 -4.31 0.00 0.00 34.13 28.56 2qqe s GLU 74 CO 0.08 -0.57 1.98 0.93 0.01 0.00 0.00 175.26 177.68 2qqe h GLU 75 N 0.00 0.00 -0.37 1.61 3.07 -2.01 -2.31 114.58 114.58 2qqe h GLU 75 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2qqe h GLU 75 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 2qqe h GLU 75 CO 0.59 0.16 0.00 -0.40 -1.40 0.00 0.00 179.01 177.97 2qqe n ASP 76 N -3.54 3.11 -4.68 1.42 5.75 -1.26 -4.95 116.55 112.39 2qqe n ASP 76 Ca -0.01 -1.91 -0.46 0.00 -0.01 0.00 0.00 54.79 52.40 2qqe n ASP 76 Cb 0.31 -0.24 -0.04 0.00 -1.03 0.00 0.00 41.12 40.12 2qqe n ASP 76 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2qqe n THR 77 N 1.04 0.36 -0.06 2.12 -1.04 -0.87 -4.31 114.28 111.52 2qqe n THR 77 Ca 0.15 -0.07 -0.06 0.00 -2.04 0.00 0.00 64.05 62.03 2qqe n THR 77 Cb 0.49 -1.84 -0.09 0.00 -1.82 0.00 0.00 70.33 67.08 2qqe n THR 77 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2qqe n ARG 78 N 5.46 1.89 -5.00 -2.82 5.12 -0.09 -4.84 116.66 116.39 2qqe n ARG 78 Ca 0.20 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.85 2qqe n ARG 78 Cb 0.31 -1.30 -0.16 0.00 -1.16 0.00 0.00 32.46 30.15 2qqe n ARG 78 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2qqe s GLY 79 N -4.56 1.02 -0.08 -0.13 0.00 -1.03 -1.23 107.32 101.31 2qqe s GLY 79 Ca -0.07 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 43.79 2qqe s GLY 79 CO 0.47 -0.67 -0.09 0.14 0.00 0.00 0.00 173.10 172.95 2qqe s VAL 80 N -0.37 0.98 -0.10 1.40 1.01 0.08 -1.19 120.40 122.20 2qqe s VAL 80 Ca 0.05 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.72 2qqe s VAL 80 Cb -0.09 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.35 2qqe s VAL 80 CO 0.00 0.34 -0.20 -0.36 0.00 0.00 0.00 175.10 174.88 2qqe s PHE 81 N 1.09 2.29 -0.17 5.22 0.08 -0.18 -0.90 117.98 125.42 2qqe s PHE 81 Ca -0.07 -1.00 -0.01 0.00 0.12 0.00 0.00 56.93 55.97 2qqe s PHE 81 Cb -0.14 -1.57 0.05 0.00 -0.57 0.00 0.00 43.02 40.78 2qqe s PHE 81 CO -0.01 -0.44 -0.02 0.42 -0.10 0.00 0.00 175.22 175.06 2qqe s ILE 82 N 0.60 0.90 0.45 0.64 1.01 -0.05 0.10 121.20 124.85 2qqe s ILE 82 Ca -0.14 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 59.92 2qqe s ILE 82 Cb -0.17 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 2qqe s ILE 82 CO 0.04 0.03 0.71 -0.62 0.00 0.00 0.00 174.94 175.10 2qqe s ASP 83 N 1.71 6.09 -1.54 3.58 2.15 -0.67 -0.58 116.67 127.42 2qqe s ASP 83 Ca 0.00 0.62 -0.14 0.00 0.43 0.00 0.00 52.55 53.46 2qqe s ASP 83 Cb -0.16 -1.96 0.09 0.00 -0.30 0.00 0.00 42.92 40.59 2qqe s ASP 83 CO -0.07 -0.58 0.92 -0.62 -0.17 0.00 0.00 175.17 174.64 2qqe n GLU 84 N -2.12 -5.08 0.31 4.34 -0.58 -0.04 -4.43 120.64 113.04 2qqe n GLU 84 Ca -0.00 0.57 0.21 0.00 -0.42 0.00 0.00 57.16 57.52 2qqe n GLU 84 Cb 0.56 -5.43 1.10 0.00 -0.57 0.00 0.00 31.44 27.10 2qqe n GLU 84 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2qqe h VAL 85 N -1.92 0.00 -0.50 2.62 -1.51 -1.45 -1.12 116.25 112.37 2qqe h VAL 85 Ca -0.57 -0.05 0.12 0.00 -1.23 0.00 0.00 66.70 64.97 2qqe h VAL 85 Cb 1.37 0.99 -0.02 0.00 -2.13 0.00 0.00 31.29 31.49 2qqe h VAL 85 CO 0.67 0.00 0.35 0.06 -1.23 0.00 0.00 177.57 177.42 2qqe h GLN 86 N 0.00 0.14 -0.00 5.19 -0.00 -1.83 -2.37 115.11 116.24 2qqe h GLN 86 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2qqe h GLN 86 Cb 0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.50 2qqe h GLN 86 CO 0.00 0.09 -0.11 1.19 -0.00 0.00 0.00 178.83 180.00 2qqe n PHE 87 N -4.43 0.00 -3.14 0.06 3.72 -0.42 -4.72 117.46 108.52 2qqe n PHE 87 Ca 0.08 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.15 2qqe n PHE 87 Cb 0.47 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.54 2qqe n PHE 87 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2qqe s PHE 88 N -2.92 3.45 0.35 1.38 0.08 -0.89 -5.04 117.98 114.40 2qqe s PHE 88 Ca 0.16 1.24 -0.26 0.00 0.12 0.00 0.00 56.93 58.20 2qqe s PHE 88 Cb 0.19 -2.54 -0.13 0.00 -0.57 0.00 0.00 43.02 39.97 2qqe s PHE 88 CO 0.55 0.17 0.91 -1.71 -0.10 0.00 0.00 175.22 175.05 2qqe n ASN 89 N -0.03 0.82 0.00 1.36 2.85 -1.26 -4.70 115.26 114.30 2qqe n ASN 89 Ca 0.02 1.08 0.02 0.00 -0.11 0.00 0.00 54.58 55.59 2qqe n ASN 89 Cb 0.52 -1.27 0.10 0.00 1.24 0.00 0.00 39.78 40.38 2qqe n ASN 89 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2qqe n PRO 90 N 0.51 0.05 0.30 1.20 -0.02 -1.26 -1.62 135.00 134.14 2qqe n PRO 90 Ca 0.10 0.29 0.15 0.00 -2.02 0.00 0.00 63.50 62.02 2qqe n PRO 90 Cb 0.36 -1.50 0.92 0.00 -0.02 0.00 0.00 33.50 33.25 2qqe n PRO 90 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2qqe h SER 91 N 0.00 0.00 -0.96 2.55 4.64 -2.01 -2.05 113.55 115.73 2qqe h SER 91 Ca 0.00 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.55 2qqe h SER 91 Cb 0.05 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.07 2qqe h SER 91 CO 0.00 0.02 0.63 0.25 -0.87 0.00 0.00 176.83 176.86 2qqe h LEU 92 N 0.00 0.36 0.25 5.97 5.85 -1.66 -2.38 115.31 123.70 2qqe h LEU 92 Ca -0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2qqe h LEU 92 Cb 0.05 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2qqe h LEU 92 CO 0.00 0.12 -0.51 0.15 -0.34 0.00 0.00 178.44 177.87 2qqe h PHE 93 N 0.35 -1.44 -0.57 1.25 3.57 -1.62 0.17 116.94 118.65 2qqe h PHE 93 Ca 0.51 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.98 2qqe h PHE 93 Cb 1.37 0.59 -0.03 0.00 2.79 0.00 0.00 35.95 40.67 2qqe h PHE 93 CO -0.00 -0.61 0.13 0.93 -2.23 0.00 0.00 178.31 176.53 2qqe h GLU 94 N -0.83 0.87 -0.58 1.11 4.39 -1.73 -1.17 114.58 116.64 2qqe h GLU 94 Ca -0.02 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.51 2qqe h GLU 94 Cb 0.79 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 2qqe h GLU 94 CO -0.20 0.79 0.38 0.28 -1.16 0.00 0.00 179.01 179.09 2qqe h VAL 95 N 0.84 1.13 -0.23 3.13 2.07 -1.18 -2.25 116.25 119.77 2qqe h VAL 95 Ca 0.18 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 2qqe h VAL 95 Cb 0.31 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2qqe h VAL 95 CO -0.00 0.14 -0.01 0.58 0.02 0.00 0.00 177.57 178.30 2qqe h VAL 96 N 0.77 1.26 -0.68 2.57 2.07 -0.28 -2.71 116.25 119.25 2qqe h VAL 96 Ca 0.22 -0.93 0.15 0.00 0.82 0.00 0.00 66.70 66.96 2qqe h VAL 96 Cb -0.07 1.42 -0.11 0.00 -1.52 0.00 0.00 31.29 31.01 2qqe h VAL 96 CO -0.06 0.29 0.03 0.50 0.02 0.00 0.00 177.57 178.35 2qqe h LYS 97 N 0.17 0.13 -0.42 1.57 3.64 -1.14 -0.98 116.57 119.53 2qqe h LYS 97 Ca 0.06 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 2qqe h LYS 97 Cb 0.43 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2qqe h LYS 97 CO 0.01 0.09 -0.06 0.22 -2.27 0.00 0.00 179.45 177.44 2qqe h ASP 98 N 0.14 0.70 -0.32 4.20 3.58 -1.32 -1.57 116.42 121.82 2qqe h ASP 98 Ca 0.37 -0.18 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 2qqe h ASP 98 Cb 0.62 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2qqe h ASP 98 CO -0.57 0.81 0.13 -0.07 -2.88 0.00 0.00 179.24 176.66 2qqe h LEU 99 N 0.67 0.45 -0.44 2.28 3.38 -0.93 -2.40 115.31 118.31 2qqe h LEU 99 Ca 0.12 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2qqe h LEU 99 Cb 0.50 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2qqe h LEU 99 CO 0.03 0.49 0.24 -0.07 0.09 0.00 0.00 178.44 179.22 2qqe h LEU 100 N 0.38 0.38 -2.14 1.67 3.38 -1.00 -1.35 115.31 116.63 2qqe h LEU 100 Ca 0.11 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2qqe h LEU 100 Cb 0.18 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 2qqe h LEU 100 CO -0.01 0.27 -0.05 0.44 0.09 0.00 0.00 178.44 179.18 2qqe h ASP 101 N 0.49 0.00 1.03 -0.43 3.32 -1.17 0.42 116.42 120.08 2qqe h ASP 101 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2qqe h ASP 101 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2qqe h ASP 101 CO -0.10 0.05 -0.25 0.54 -1.72 0.00 0.00 179.24 177.76 2qqe n ARG 102 N -4.00 0.16 0.00 3.56 1.74 -0.55 -4.87 116.66 112.70 2qqe n ARG 102 Ca -0.03 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2qqe n ARG 102 Cb 0.14 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 2qqe n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qqe n GLY 103 N 1.39 1.17 3.66 -0.13 0.00 -0.64 -4.89 105.19 105.75 2qqe n GLY 103 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2qqe n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qqe s ILE 104 N -2.00 5.14 0.17 -0.61 1.09 -0.95 -4.14 121.20 119.90 2qqe s ILE 104 Ca 0.00 0.85 -0.30 0.00 -1.10 0.00 0.00 60.65 60.10 2qqe s ILE 104 Cb 0.00 -3.80 -0.07 0.00 -1.06 0.00 0.00 42.46 37.53 2qqe s ILE 104 CO 0.00 0.20 1.08 -1.81 -0.10 0.00 0.00 174.94 174.31 2qqe s ASP 105 N 1.12 7.31 -0.05 3.58 1.01 -0.37 -3.88 116.67 125.39 2qqe s ASP 105 Ca 0.22 2.05 0.05 0.00 0.71 0.00 0.00 52.55 55.58 2qqe s ASP 105 Cb -0.15 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.17 2qqe s ASP 105 CO 0.09 -0.19 -0.22 -0.69 0.21 0.00 0.00 175.17 174.37 2qqe s VAL 106 N -0.25 1.80 -0.08 -1.27 1.01 -0.48 -0.74 120.40 120.40 2qqe s VAL 106 Ca 0.49 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2qqe s VAL 106 Cb -0.28 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.58 2qqe s VAL 106 CO 0.34 0.51 -0.11 -0.36 0.00 0.00 0.00 175.10 175.47 2qqe s PHE 107 N -0.08 1.51 -0.03 5.22 0.08 -0.08 -1.24 117.98 123.36 2qqe s PHE 107 Ca -0.04 -0.62 0.04 0.00 0.12 0.00 0.00 56.93 56.44 2qqe s PHE 107 Cb -0.13 -1.14 -0.01 0.00 -0.57 0.00 0.00 43.02 41.18 2qqe s PHE 107 CO 0.03 -0.35 -0.15 0.00 -0.10 0.00 0.00 175.22 174.65 2qqe s ALA 109 N -0.14 2.42 0.00 0.00 0.00 0.26 -1.04 121.76 123.25 2qqe s ALA 109 Ca 0.01 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2qqe s ALA 109 Cb -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.31 2qqe s ALA 109 CO 0.01 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.72 2qqe n GLY 110 N 2.19 -1.24 3.72 0.00 0.00 -0.71 -0.86 105.19 108.30 2qqe n GLY 110 Ca -0.17 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 2qqe n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qqe s LEU 111 N 0.00 4.42 0.06 0.99 1.43 -1.26 -3.73 118.68 120.58 2qqe s LEU 111 Ca 0.00 1.82 -0.15 0.00 -1.03 0.00 0.00 54.13 54.78 2qqe s LEU 111 Cb 0.00 -3.58 -0.28 0.00 0.03 0.00 0.00 46.19 42.36 2qqe s LEU 111 CO 0.00 -0.24 1.12 -2.24 0.23 0.00 0.00 176.35 175.22 2qqe h ASP 112 N 6.24 0.89 -4.33 2.29 3.04 -1.94 -3.42 116.42 119.19 2qqe h ASP 112 Ca -0.42 -0.80 -0.49 0.00 -3.24 0.00 0.00 57.03 52.08 2qqe h ASP 112 Cb 1.22 -0.28 -0.22 0.00 -1.04 0.00 0.00 39.33 39.00 2qqe h ASP 112 CO 0.75 1.60 -0.80 -0.76 -2.04 0.00 0.00 179.24 177.98 2qqe s LEU 113 N -7.94 2.27 0.84 0.15 1.43 -1.26 -2.05 118.68 112.12 2qqe s LEU 113 Ca -0.10 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.27 2qqe s LEU 113 Cb 0.06 -0.70 0.10 0.00 0.03 0.00 0.00 46.19 45.67 2qqe s LEU 113 CO 0.93 0.01 1.11 0.42 0.23 0.00 0.00 176.35 179.04 2qqe s THR 114 N -1.15 2.72 0.23 5.49 -4.23 0.87 -4.85 115.64 114.72 2qqe s THR 114 Ca 0.02 0.23 0.22 0.00 -1.18 0.00 0.00 61.69 60.99 2qqe s THR 114 Cb -0.10 -2.95 0.22 0.00 1.34 0.00 0.00 72.50 71.01 2qqe s THR 114 CO 0.03 -0.31 1.62 1.12 -0.54 0.00 0.00 174.62 176.55 2qqe h HIS 115 N -1.26 0.00 -0.41 3.99 2.07 -1.89 0.13 115.15 117.77 2qqe h HIS 115 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2qqe h HIS 115 Cb 1.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.27 2qqe h HIS 115 CO 0.41 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.90 2qqe n LYS 116 N -2.42 2.31 -2.97 5.12 5.02 -1.26 -4.62 118.16 119.34 2qqe n LYS 116 Ca -0.01 -2.00 -0.22 0.00 -2.02 0.00 0.00 58.31 54.05 2qqe n LYS 116 Cb 0.28 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.84 2qqe n LYS 116 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qqe n GLN 117 N 1.18 -4.45 -3.48 1.97 6.02 0.46 -5.02 117.38 114.06 2qqe n GLN 117 Ca 0.19 0.89 -0.38 0.00 -0.01 0.00 0.00 57.00 57.69 2qqe n GLN 117 Cb 0.52 -5.73 -0.06 0.00 1.02 0.00 0.00 30.24 25.99 2qqe n GLN 117 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2qqe s ASN 118 N -2.63 6.83 0.24 1.08 0.02 -1.26 -4.85 114.94 114.38 2qqe s ASN 118 Ca 0.27 0.99 -0.31 0.00 -1.02 0.00 0.00 52.86 52.79 2qqe s ASN 118 Cb -0.12 -2.26 -0.13 0.00 0.02 0.00 0.00 41.25 38.76 2qqe s ASN 118 CO 0.34 0.31 1.44 -0.81 0.02 0.00 0.00 177.10 178.40 2qqe n PRO 119 N 1.73 2.13 -2.41 -0.60 -0.04 -1.26 -0.09 135.00 134.46 2qqe n PRO 119 Ca -0.13 0.76 -0.43 0.00 -0.04 0.00 0.00 63.50 63.66 2qqe n PRO 119 Cb 0.52 -2.44 -0.02 0.00 -0.04 0.00 0.00 33.50 31.52 2qqe n PRO 119 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2qqe s PHE 120 N -0.01 2.80 0.24 0.54 0.08 -0.87 -4.79 117.98 115.97 2qqe s PHE 120 Ca 0.68 0.97 -0.07 0.00 0.12 0.00 0.00 56.93 58.63 2qqe s PHE 120 Cb -0.63 -3.59 0.25 0.00 -0.57 0.00 0.00 43.02 38.47 2qqe s PHE 120 CO 0.49 -1.74 1.91 1.49 -0.10 0.00 0.00 175.22 177.27 2qqe h GLU 121 N 8.47 1.22 -0.15 0.44 4.81 -1.90 -1.88 114.58 125.59 2qqe h GLU 121 Ca -0.26 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 58.81 2qqe h GLU 121 Cb 1.10 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 2qqe h GLU 121 CO 0.98 0.81 -0.23 1.15 -0.73 0.00 0.00 179.01 180.99 2qqe h THR 122 N 1.26 1.35 -0.79 0.32 2.02 -1.84 -1.81 112.91 113.41 2qqe h THR 122 Ca 0.35 -1.45 0.08 0.00 0.77 0.00 0.00 66.41 66.16 2qqe h THR 122 Cb -0.12 1.93 -0.07 0.00 -1.74 0.00 0.00 68.15 68.16 2qqe h THR 122 CO -0.08 0.43 0.45 0.74 0.37 0.00 0.00 175.52 177.43 2qqe h THR 123 N 0.05 0.93 -0.18 3.16 2.02 -1.78 -1.40 112.91 115.72 2qqe h THR 123 Ca 0.01 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2qqe h THR 123 Cb 0.80 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2qqe h THR 123 CO 0.05 0.14 0.10 0.00 0.37 0.00 0.00 175.52 176.19 2qqe h ALA 124 N 1.43 0.23 -0.22 6.16 0.00 -1.11 -0.85 119.26 124.90 2qqe h ALA 124 Ca 0.37 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.23 2qqe h ALA 124 Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2qqe h ALA 124 CO -0.23 -0.24 0.12 -0.07 0.00 0.00 0.00 179.25 178.84 2qqe h LEU 125 N 0.19 0.19 -0.99 0.00 3.38 -0.97 -2.82 115.31 114.29 2qqe h LEU 125 Ca 0.06 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2qqe h LEU 125 Cb 0.07 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2qqe h LEU 125 CO -0.01 0.14 0.65 -0.07 0.09 0.00 0.00 178.44 179.24 2qqe h LEU 126 N 0.25 1.07 -1.20 1.67 3.38 -1.09 -2.49 115.31 116.91 2qqe h LEU 126 Ca 0.09 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.09 2qqe h LEU 126 Cb 0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 2qqe h LEU 126 CO -0.05 0.73 0.55 -0.07 0.09 0.00 0.00 178.44 179.69 2qqe h LEU 127 N 1.24 0.89 -0.97 1.67 3.38 -1.02 0.21 115.31 120.70 2qqe h LEU 127 Ca 0.40 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.26 2qqe h LEU 127 Cb 0.03 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2qqe h LEU 127 CO -0.13 0.60 -0.41 0.77 0.09 0.00 0.00 178.44 179.36 2qqe h SER 128 N 1.02 0.23 1.49 -0.43 4.64 -1.21 -3.07 113.55 116.22 2qqe h SER 128 Ca 0.34 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.49 2qqe h SER 128 Cb 0.07 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2qqe h SER 128 CO -0.11 0.61 -0.52 0.25 -0.87 0.00 0.00 176.83 176.19 2qqe h LEU 129 N 0.18 0.00-10.03 5.97 5.85 -0.91 -3.48 115.31 112.90 2qqe h LEU 129 Ca 0.02 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.20 2qqe h LEU 129 Cb 0.80 0.00 0.12 0.00 0.37 0.00 0.00 40.66 41.95 2qqe h LEU 129 CO 0.06 0.33 0.60 0.00 -0.34 0.00 0.00 178.44 179.10 2qqe s ALA 130 N -3.06 2.93 -0.00 1.25 0.00 -0.02 -4.84 121.76 118.01 2qqe s ALA 130 Ca 0.04 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.31 2qqe s ALA 130 Cb 0.07 -3.54 -0.25 0.00 0.00 0.00 0.00 23.12 19.41 2qqe s ALA 130 CO 0.74 -1.20 0.82 -0.44 0.00 0.00 0.00 175.76 175.68 2qqe h ASP 131 N 1.75 0.19 -3.76 0.00 3.32 -0.99 -3.46 116.42 113.46 2qqe h ASP 131 Ca -0.51 -0.30 -0.27 0.00 0.02 0.00 0.00 57.03 55.97 2qqe h ASP 131 Cb 1.28 -0.06 -0.29 0.00 0.22 0.00 0.00 39.33 40.48 2qqe h ASP 131 CO 0.59 1.25 -0.73 -0.89 -1.72 0.00 0.00 179.24 177.73 2qqe s THR 132 N -2.62 0.15 -0.10 0.35 2.01 -0.97 -5.04 115.64 109.43 2qqe s THR 132 Ca -0.07 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 61.90 2qqe s THR 132 Cb 0.08 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 72.44 2qqe s THR 132 CO 0.83 0.06 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.92 2qqe s VAL 133 N 0.08 1.79 -0.23 3.82 1.01 -1.26 -1.06 120.40 124.56 2qqe s VAL 133 Ca -0.01 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 2qqe s VAL 133 Cb -0.02 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 2qqe s VAL 133 CO -0.00 0.50 -0.00 -0.63 0.00 0.00 0.00 175.10 174.96 2qqe s ILE 134 N 0.54 3.67 -0.26 2.22 1.01 0.12 -4.97 121.20 123.53 2qqe s ILE 134 Ca -0.15 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 2qqe s ILE 134 Cb -0.17 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 2qqe s ILE 134 CO 0.05 0.38 0.16 -0.54 0.00 0.00 0.00 174.94 175.00 2qqe s LYS 135 N 1.52 3.95 -0.06 2.79 -0.14 -1.26 -1.47 119.74 125.07 2qqe s LYS 135 Ca 0.06 -0.33 -0.03 0.00 -1.36 0.00 0.00 55.97 54.31 2qqe s LYS 135 Cb -0.15 -3.56 -0.04 0.00 -1.68 0.00 0.00 37.83 32.40 2qqe s LYS 135 CO -0.01 -0.09 0.09 0.15 -0.76 0.00 0.00 175.35 174.73 2qqe s LYS 136 N 1.47 3.18 0.28 1.68 -0.14 -0.04 -4.97 119.74 121.20 2qqe s LYS 136 Ca 0.07 -0.35 0.08 0.00 -1.36 0.00 0.00 55.97 54.41 2qqe s LYS 136 Cb -0.15 -2.95 -0.04 0.00 -1.68 0.00 0.00 37.83 33.01 2qqe s LYS 136 CO 0.08 0.70 0.14 0.15 -0.76 0.00 0.00 175.35 175.66 2qqe s LYS 137 N -1.34 2.65 0.46 1.68 1.02 -1.26 -4.23 119.74 118.72 2qqe s LYS 137 Ca 0.19 -1.25 0.06 0.00 0.02 0.00 0.00 55.97 54.99 2qqe s LYS 137 Cb -0.12 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.78 2qqe s LYS 137 CO 0.09 0.32 0.25 0.00 -0.92 0.00 0.00 175.35 175.09 2qqe s ALA 138 N -2.25 3.92 0.13 5.17 0.00 -0.81 -4.62 121.76 123.30 2qqe s ALA 138 Ca 0.34 -1.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 2qqe s ALA 138 Cb -0.07 -0.53 -0.06 0.00 0.00 0.00 0.00 23.12 22.46 2qqe s ALA 138 CO 0.23 -0.24 1.01 0.08 0.00 0.00 0.00 175.76 176.85 2qqe s VAL 139 N -2.65 4.32 0.14 0.00 1.01 -1.26 -1.30 120.40 120.66 2qqe s VAL 139 Ca 0.37 1.93 -0.30 0.00 0.00 0.00 0.00 61.98 63.98 2qqe s VAL 139 Cb 0.01 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 2qqe s VAL 139 CO 0.21 0.30 1.21 0.00 0.00 0.00 0.00 175.10 176.82 2qqe h HIS 141 N 5.83 0.24 0.00 0.00 2.76 -1.26 -0.78 115.15 121.94 2qqe h HIS 141 Ca -0.43 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 57.61 2qqe h HIS 141 Cb 1.21 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 30.14 2qqe h HIS 141 CO 0.64 0.84 -0.09 -0.09 -1.30 0.00 0.00 177.93 177.93 2qqe h ARG 142 N 0.11 0.00 0.00 5.26 2.43 -1.91 -3.40 114.38 116.88 2qqe h ARG 142 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2qqe h ARG 142 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2qqe h ARG 142 CO 0.11 0.51 -0.87 0.00 -1.51 0.00 0.00 179.97 178.20 2qqe n GLY 144 N 1.49 0.43 3.90 0.00 0.00 -0.30 -4.98 105.19 105.74 2qqe n GLY 144 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 2qqe n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qqe s GLU 145 N -0.60 3.50 -1.16 1.61 0.41 -1.26 -4.67 118.70 116.53 2qqe s GLU 145 Ca 0.00 0.26 -0.10 0.00 -0.41 0.00 0.00 54.97 54.72 2qqe s GLU 145 Cb 0.00 -2.33 0.23 0.00 -1.78 0.00 0.00 34.13 30.26 2qqe s GLU 145 CO 0.00 -0.29 1.38 0.98 -0.49 0.00 0.00 175.26 176.84 2qqe n TYR 146 N -2.35 4.41 -1.83 1.61 9.36 -1.26 0.11 117.16 127.21 2qqe n TYR 146 Ca 0.02 -3.38 0.00 0.00 3.32 0.00 0.00 57.90 57.85 2qqe n TYR 146 Cb 0.55 -1.82 0.00 0.00 -0.63 0.00 0.00 39.34 37.44 2qqe n TYR 146 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2qqe n ASN 147 N 3.57 0.00 -4.70 2.98 6.94 -1.19 -5.00 115.26 117.86 2qqe n ASN 147 Ca 0.31 -1.02 -0.42 0.00 -0.02 0.00 0.00 54.58 53.43 2qqe n ASN 147 Cb 0.39 -0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.78 2qqe n ASN 147 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qqe s ALA 148 N 0.00 3.42 0.00 -2.53 0.00 -0.42 -4.51 121.76 117.72 2qqe s ALA 148 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.61 2qqe s ALA 148 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2qqe s ALA 148 CO 0.00 -0.59 0.13 0.25 0.00 0.00 0.00 175.76 175.55 2qqe n THR 149 N 4.33 0.00 -4.37 0.00 -2.24 -0.94 -1.93 114.28 109.13 2qqe n THR 149 Ca 0.10 -0.36 -0.19 0.00 -2.27 0.00 0.00 64.05 61.33 2qqe n THR 149 Cb 0.47 1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 2qqe n THR 149 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qqe s LEU 150 N -0.91 2.50 -0.12 3.22 1.43 -0.70 -4.06 118.68 120.05 2qqe s LEU 150 Ca 0.00 -1.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.01 2qqe s LEU 150 Cb 0.00 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.58 2qqe s LEU 150 CO 0.00 -0.26 -0.15 -0.89 0.23 0.00 0.00 176.35 175.28 2qqe s THR 151 N -3.02 2.89 -0.10 5.49 2.01 -1.26 -1.41 115.64 120.23 2qqe s THR 151 Ca 0.25 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.51 2qqe s THR 151 Cb 0.01 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 2qqe s THR 151 CO 0.09 0.54 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.31 2qqe s LEU 152 N 0.24 3.43 -0.20 4.42 2.96 0.99 -4.21 118.68 126.31 2qqe s LEU 152 Ca -0.10 0.04 -0.14 0.00 -0.22 0.00 0.00 54.13 53.71 2qqe s LEU 152 Cb -0.16 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 2qqe s LEU 152 CO 0.06 0.32 0.31 -0.75 -1.32 0.00 0.00 176.35 174.96 2qqe s LYS 153 N -0.51 4.18 0.00 1.98 2.20 -1.26 -1.40 119.74 124.92 2qqe s LYS 153 Ca 0.08 0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 2qqe s LYS 153 Cb -0.12 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 2qqe s LYS 153 CO 0.02 0.07 0.91 1.33 -0.36 0.00 0.00 175.35 177.32 2qqe n VAL 154 N 4.10 0.83 0.00 4.02 0.24 0.96 -5.01 118.33 123.46 2qqe n VAL 154 Ca -0.11 -0.91 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 2qqe n VAL 154 Cb 0.51 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 2qqe n VAL 154 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qqe n ALA 155 N -0.41 1.22 -1.02 2.33 0.00 -1.21 -4.94 120.51 116.47 2qqe n ALA 155 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2qqe n ALA 155 Cb 0.21 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 2qqe n ALA 155 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2qqe n ILE 161 N -1.14 0.00 -3.18 0.00 0.00 -1.26 -4.96 119.36 108.82 2qqe n ILE 161 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 62.75 62.77 2qqe n ILE 161 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 39.64 39.31 2qqe n ILE 161 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 2qqe s ASP 162 N 2.29 -1.14 0.70 9.51 -4.77 -1.26 -5.17 116.67 116.83 2qqe s ASP 162 Ca 0.68 0.74 -0.13 0.00 -3.30 0.00 0.00 52.55 50.53 2qqe s ASP 162 Cb -0.94 2.00 0.02 0.00 -1.09 0.00 0.00 42.92 42.91 2qqe s ASP 162 CO 0.49 -0.27 1.10 -0.69 0.70 0.00 0.00 175.17 176.51 2qqe s VAL 163 N 2.81 3.26 -5.00 2.11 1.01 -1.26 -4.95 120.40 118.38 2qqe s VAL 163 Ca 0.19 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2qqe s VAL 163 Cb -0.15 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2qqe s VAL 163 CO -0.21 -0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.08 2qqe n GLY 164 N -0.75 -0.09 0.00 4.51 0.00 -1.26 -5.08 105.19 102.53 2qqe n GLY 164 Ca 0.10 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2qqe n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qqe n GLY 165 N -1.06 5.03 0.00 -0.02 0.00 -1.26 -4.92 105.19 102.95 2qqe n GLY 165 Ca 0.00 -0.65 0.08 0.00 0.00 0.00 0.00 46.02 45.45 2qqe n GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qqe n GLN 166 N 0.00 0.14 0.00 1.61 6.02 -1.26 -0.24 117.38 123.65 2qqe n GLN 166 Ca 0.00 0.17 0.13 0.00 -0.01 0.00 0.00 57.00 57.29 2qqe n GLN 166 Cb 0.00 -1.50 0.47 0.00 1.02 0.00 0.00 30.24 30.23 2qqe n GLN 166 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2qqe n GLU 167 N -1.37 0.51 0.00 -1.09 0.00 -1.26 -4.42 120.64 113.01 2qqe n GLU 167 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 57.16 56.99 2qqe n GLU 167 Cb 0.15 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.10 2qqe n GLU 167 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2qqe n LYS 168 N -1.04 0.34 -4.84 3.44 4.81 0.52 -4.59 118.16 116.80 2qqe n LYS 168 Ca 0.11 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.30 2qqe n LYS 168 Cb 0.32 -0.66 -0.15 0.00 0.02 0.00 0.00 35.03 34.55 2qqe n LYS 168 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2qqe s TYR 169 N -1.32 1.57 0.19 5.64 2.02 0.67 -0.03 117.35 126.08 2qqe s TYR 169 Ca 0.00 -0.30 0.10 0.00 -0.37 0.00 0.00 57.07 56.51 2qqe s TYR 169 Cb 0.00 -1.01 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 2qqe s TYR 169 CO 0.00 -0.03 -0.22 0.42 -1.57 0.00 0.00 175.55 174.16 2qqe s ILE 170 N -0.40 2.17 -0.06 2.71 1.01 -0.50 -4.16 121.20 121.97 2qqe s ILE 170 Ca 0.07 -2.03 -0.15 0.00 0.00 0.00 0.00 60.65 58.54 2qqe s ILE 170 Cb -0.07 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 2qqe s ILE 170 CO -0.01 -0.22 0.39 0.00 0.00 0.00 0.00 174.94 175.10 2qqe s ALA 171 N -1.90 3.64 0.07 9.38 0.00 -1.26 -0.01 121.76 131.69 2qqe s ALA 171 Ca 0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 2qqe s ALA 171 Cb -0.07 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 2qqe s ALA 171 CO 0.09 0.31 0.06 0.14 0.00 0.00 0.00 175.76 176.36 2qqe s VAL 172 N -0.43 0.18 0.69 0.00 -7.23 -0.50 -0.71 120.40 112.41 2qqe s VAL 172 Ca 0.22 -1.59 -0.10 0.00 -1.81 0.00 0.00 61.98 58.71 2qqe s VAL 172 Cb -0.15 -1.49 0.02 0.00 0.56 0.00 0.00 36.38 35.31 2qqe s VAL 172 CO 0.11 -0.84 1.06 0.00 -0.31 0.00 0.00 175.10 175.12 2qqe h ARG 174 N -0.57 0.77 -0.59 0.00 2.43 -1.96 -0.77 114.38 113.68 2qqe h ARG 174 Ca -0.45 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 58.75 2qqe h ARG 174 Cb 1.26 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 30.58 2qqe h ARG 174 CO 0.63 0.51 0.26 -0.44 -1.51 0.00 0.00 179.97 179.42 2qqe h ASP 175 N 0.79 0.31 -0.08 -3.80 3.32 -1.98 -2.11 116.42 112.87 2qqe h ASP 175 Ca 0.28 0.06 -0.24 0.00 0.02 0.00 0.00 57.03 57.14 2qqe h ASP 175 Cb 0.06 0.01 0.02 0.00 0.22 0.00 0.00 39.33 39.64 2qqe h ASP 175 CO -0.13 0.20 -0.90 0.00 -1.72 0.00 0.00 179.24 176.69 2qqe h TYR 177 N 0.48 -0.24 0.00 0.00 3.20 -0.97 0.60 116.97 120.04 2qqe h TYR 177 Ca -0.09 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 2qqe h TYR 177 Cb 1.54 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.97 2qqe h TYR 177 CO 0.09 -0.19 -0.41 -0.91 -1.64 0.00 0.00 178.16 175.11 2qqe h ASN 178 N -0.00 0.00 0.26 -2.11 2.35 -1.33 0.42 115.58 115.17 2qqe h ASN 178 Ca 0.21 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.81 2qqe h ASN 178 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2qqe h ASN 178 CO -0.45 0.41 -0.58 0.74 -1.65 0.00 0.00 177.43 175.90 2qqe h THR 179 N 0.00 1.36 0.02 2.81 2.02 -1.03 -3.34 112.91 114.76 2qqe h THR 179 Ca -0.00 -1.90 -0.31 0.00 0.77 0.00 0.00 66.41 64.97 2qqe h THR 179 Cb 0.77 1.92 -0.05 0.00 -1.74 0.00 0.00 68.15 69.05 2qqe h THR 179 CO 0.05 0.57 -1.79 0.18 0.37 0.00 0.00 175.52 174.90 2qqe n LEU 180 N -3.91 1.16 -0.23 2.58 4.77 0.16 -5.09 117.00 116.43 2qqe n LEU 180 Ca -0.03 0.36 0.03 0.00 -0.03 0.00 0.00 56.01 56.34 2qqe n LEU 180 Cb 0.61 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.67 2qqe n LEU 180 CO 0.45 0.48 0.34 0.29 -1.33 0.00 0.00 177.39 177.62