#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qq0 s GLY 3 N 0.00 2.20 0.04 5.00 0.00 -0.20 -4.84 107.32 109.52 2qq0 s GLY 3 Ca 0.00 0.44 0.05 0.00 0.00 0.00 0.00 44.72 45.21 2qq0 s GLY 3 CO 0.00 0.76 -0.09 0.54 0.00 0.00 0.00 173.10 174.32 2qq0 s LYS 4 N -3.94 2.39 -0.19 2.90 -0.14 -1.26 -4.79 119.74 114.70 2qq0 s LYS 4 Ca 0.65 -0.84 -0.06 0.00 -1.36 0.00 0.00 55.97 54.35 2qq0 s LYS 4 Cb -0.16 -2.41 -0.03 0.00 -1.68 0.00 0.00 37.83 33.54 2qq0 s LYS 4 CO 0.34 0.57 0.04 -1.17 -0.76 0.00 0.00 175.35 174.37 2qq0 s LEU 5 N -1.65 3.57 -0.16 3.17 2.96 -1.26 -1.17 118.68 124.14 2qq0 s LEU 5 Ca 0.18 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 2qq0 s LEU 5 Cb -0.11 -1.91 0.00 0.00 0.50 0.00 0.00 46.19 44.67 2qq0 s LEU 5 CO 0.09 0.12 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.20 2qq0 s THR 6 N 0.71 2.64 -0.16 3.68 2.01 -0.24 -0.50 115.64 123.77 2qq0 s THR 6 Ca 0.02 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 2qq0 s THR 6 Cb -0.14 -2.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 2qq0 s THR 6 CO 0.02 0.51 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.73 2qq0 s VAL 7 N 0.92 3.79 -0.25 3.82 1.01 -0.26 -1.15 120.40 128.28 2qq0 s VAL 7 Ca -0.03 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 2qq0 s VAL 7 Cb -0.15 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 2qq0 s VAL 7 CO -0.02 0.48 0.02 -0.63 0.00 0.00 0.00 175.10 174.96 2qq0 s ILE 8 N 0.53 3.78 0.23 2.22 1.01 0.55 -0.76 121.20 128.76 2qq0 s ILE 8 Ca -0.03 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.12 2qq0 s ILE 8 Cb -0.14 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 2qq0 s ILE 8 CO 0.03 0.29 0.20 0.28 0.00 0.00 0.00 174.94 175.73 2qq0 s THR 9 N 1.51 0.00 -5.00 2.92 -1.32 -0.01 -1.55 115.64 112.19 2qq0 s THR 9 Ca 0.05 -1.94 0.00 0.00 -1.21 0.00 0.00 61.69 58.58 2qq0 s THR 9 Cb -0.15 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 2qq0 s THR 9 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2qq0 n GLY 10 N -0.36 0.28 3.37 6.08 0.00 -1.25 -0.06 105.19 113.26 2qq0 n GLY 10 Ca 0.03 -1.80 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 2qq0 n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qq0 n PRO 11 N -1.20 -1.07 -1.91 1.61 -0.04 -1.26 -3.81 135.00 127.33 2qq0 n PRO 11 Ca 0.00 -1.83 -0.37 0.00 -0.04 0.00 0.00 63.50 61.26 2qq0 n PRO 11 Cb 0.00 -1.16 0.04 0.00 -0.04 0.00 0.00 33.50 32.35 2qq0 n PRO 11 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2qq0 s MET 12 N -5.49 2.89 -0.96 0.54 -1.94 -1.26 -3.21 119.30 109.87 2qq0 s MET 12 Ca 0.65 1.95 0.00 0.00 -1.71 0.00 0.00 55.69 56.58 2qq0 s MET 12 Cb -0.02 -1.96 0.00 0.00 2.01 0.00 0.00 34.83 34.86 2qq0 s MET 12 CO 0.46 -1.30 0.00 0.66 -0.01 0.00 0.00 175.02 174.83 2qq0 n TYR 13 N -1.57 -0.07 0.91 -0.03 4.01 -1.26 -4.63 117.16 114.52 2qq0 n TYR 13 Ca 0.14 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.00 2qq0 n TYR 13 Cb 0.48 -1.91 0.23 0.00 -0.31 0.00 0.00 39.34 37.84 2qq0 n TYR 13 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2qq0 n SER 14 N 0.45 2.76 0.00 7.72 3.41 -1.20 -4.64 113.62 122.13 2qq0 n SER 14 Ca -0.10 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 2qq0 n SER 14 Cb 0.35 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2qq0 n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qq0 n GLY 15 N 1.35 0.98 0.09 5.00 0.00 -1.26 -4.30 105.19 107.04 2qq0 n GLY 15 Ca 0.17 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 2qq0 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qq0 h LYS 16 N 0.00 0.14 -0.72 1.61 1.57 -1.92 -0.80 116.57 116.46 2qq0 h LYS 16 Ca 0.00 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2qq0 h LYS 16 Cb 0.15 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 2qq0 h LYS 16 CO 0.00 0.53 0.18 1.15 -0.57 0.00 0.00 179.45 180.74 2qq0 h THR 17 N -0.25 1.26 -0.57 -0.16 2.02 -1.94 -0.28 112.91 112.98 2qq0 h THR 17 Ca 0.01 -0.97 0.06 0.00 0.77 0.00 0.00 66.41 66.29 2qq0 h THR 17 Cb 0.50 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.37 2qq0 h THR 17 CO 0.01 0.38 0.26 0.74 0.37 0.00 0.00 175.52 177.28 2qq0 h THR 18 N 1.08 0.89 -0.35 3.16 2.02 -1.92 0.11 112.91 117.90 2qq0 h THR 18 Ca 0.23 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 2qq0 h THR 18 Cb 0.37 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2qq0 h THR 18 CO 0.00 0.09 -0.03 -0.08 0.37 0.00 0.00 175.52 175.87 2qq0 h GLU 19 N 0.50 0.65 -0.48 6.66 4.81 -0.85 -1.11 114.58 124.76 2qq0 h GLU 19 Ca 0.27 -0.22 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 2qq0 h GLU 19 Cb 0.23 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.51 2qq0 h GLU 19 CO -0.21 0.78 0.20 1.25 -0.73 0.00 0.00 179.01 180.29 2qq0 h LEU 20 N 0.45 0.25 -1.29 1.64 5.85 -0.41 -1.64 115.31 120.15 2qq0 h LEU 20 Ca 0.10 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2qq0 h LEU 20 Cb 0.51 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2qq0 h LEU 20 CO 0.02 0.17 0.08 -0.07 -0.34 0.00 0.00 178.44 178.31 2qq0 h LEU 21 N 0.40 0.52 -0.84 2.25 3.38 -0.61 -1.36 115.31 119.05 2qq0 h LEU 21 Ca 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2qq0 h LEU 21 Cb 0.19 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 2qq0 h LEU 21 CO -0.20 0.53 0.53 0.28 0.09 0.00 0.00 178.44 179.67 2qq0 h SER 22 N 0.55 1.00 -0.66 -0.43 0.02 -0.45 -0.80 113.55 112.79 2qq0 h SER 22 Ca 0.13 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 2qq0 h SER 22 Cb 0.23 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2qq0 h SER 22 CO -0.00 0.75 0.07 -0.26 -1.14 0.00 0.00 176.83 176.25 2qq0 h PHE 23 N 1.15 1.19 -0.22 3.45 0.04 -0.67 -1.79 116.94 120.09 2qq0 h PHE 23 Ca 0.30 -0.18 0.03 0.00 2.80 0.00 0.00 57.97 60.93 2qq0 h PHE 23 Cb -0.08 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.72 2qq0 h PHE 23 CO -0.01 1.01 0.02 0.28 -0.60 0.00 0.00 178.31 179.02 2qq0 h VAL 24 N 1.03 0.87 -0.93 -0.55 2.07 -0.87 -2.32 116.25 115.55 2qq0 h VAL 24 Ca 0.20 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.76 2qq0 h VAL 24 Cb 0.49 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 2qq0 h VAL 24 CO 0.02 0.02 0.58 -0.08 0.02 0.00 0.00 177.57 178.13 2qq0 h GLU 25 N 0.10 0.99 -0.38 1.57 4.81 -0.94 -1.28 114.58 119.45 2qq0 h GLU 25 Ca 0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2qq0 h GLU 25 Cb 0.12 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2qq0 h GLU 25 CO -0.16 0.65 0.25 0.82 -0.73 0.00 0.00 179.01 179.85 2qq0 h ILE 26 N 1.02 1.10 -0.40 2.32 2.04 -0.91 0.14 117.51 122.81 2qq0 h ILE 26 Ca 0.42 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 66.05 2qq0 h ILE 26 Cb 0.26 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2qq0 h ILE 26 CO -0.20 0.09 0.02 1.88 0.00 0.00 0.00 178.15 179.95 2qq0 h TYR 27 N 0.52 0.74 -0.70 1.37 -1.99 -0.88 -2.64 116.97 113.38 2qq0 h TYR 27 Ca 0.14 -0.12 0.01 0.00 2.00 0.00 0.00 58.73 60.76 2qq0 h TYR 27 Cb -0.06 -0.20 -0.04 0.00 2.00 0.00 0.00 36.73 38.44 2qq0 h TYR 27 CO -0.05 0.75 0.46 0.87 -0.00 0.00 0.00 178.16 180.19 2qq0 h LYS 28 N 0.52 0.91 0.00 4.88 1.57 -0.97 -1.14 116.57 122.34 2qq0 h LYS 28 Ca 0.12 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2qq0 h LYS 28 Cb 0.44 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2qq0 h LYS 28 CO 0.02 0.60 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.29 2qq0 h LEU 29 N 0.94 0.00 -0.88 2.94 3.38 -0.57 -0.85 115.31 120.26 2qq0 h LEU 29 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2qq0 h LEU 29 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2qq0 h LEU 29 CO -0.07 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.21 2qq0 n GLY 30 N -1.01 0.07 3.64 0.83 0.00 -0.75 -4.90 105.19 103.07 2qq0 n GLY 30 Ca -0.02 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 2qq0 n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qq0 n LYS 31 N 0.14 -6.13 -3.91 1.61 4.01 -0.33 -5.00 118.16 108.56 2qq0 n LYS 31 Ca 0.12 0.71 -0.36 0.00 -0.51 0.00 0.00 58.31 58.28 2qq0 n LYS 31 Cb 0.24 -5.65 -0.08 0.00 -0.51 0.00 0.00 35.03 29.04 2qq0 n LYS 31 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2qq0 s LYS 32 N -6.34 3.76 0.29 1.97 1.02 -0.51 -5.03 119.74 114.91 2qq0 s LYS 32 Ca 0.57 -0.24 -0.29 0.00 0.02 0.00 0.00 55.97 56.03 2qq0 s LYS 32 Cb -0.27 -3.23 -0.10 0.00 -0.52 0.00 0.00 37.83 33.71 2qq0 s LYS 32 CO 0.70 0.50 1.22 0.21 -0.92 0.00 0.00 175.35 177.06 2qq0 s LYS 33 N -0.24 4.48 0.17 1.68 2.20 -1.26 -4.16 119.74 122.61 2qq0 s LYS 33 Ca 0.10 2.02 0.08 0.00 -0.36 0.00 0.00 55.97 57.81 2qq0 s LYS 33 Cb -0.12 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.02 2qq0 s LYS 33 CO 0.01 -0.03 -0.16 0.14 -0.36 0.00 0.00 175.35 174.95 2qq0 s VAL 34 N -0.97 1.70 -0.06 4.02 -7.23 -1.26 -0.26 120.40 116.33 2qq0 s VAL 34 Ca 0.48 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 2qq0 s VAL 34 Cb -0.36 -1.85 0.02 0.00 0.56 0.00 0.00 36.38 34.75 2qq0 s VAL 34 CO 0.46 -0.43 -0.09 0.00 -0.31 0.00 0.00 175.10 174.73 2qq0 s ALA 35 N -2.37 1.09 -0.07 1.32 0.00 -0.51 -4.99 121.76 116.23 2qq0 s ALA 35 Ca 0.17 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 51.87 2qq0 s ALA 35 Cb -0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 2qq0 s ALA 35 CO 0.06 0.03 -0.24 0.08 0.00 0.00 0.00 175.76 175.69 2qq0 s VAL 36 N 0.83 2.00 0.03 0.00 1.01 -1.26 -1.13 120.40 121.88 2qq0 s VAL 36 Ca -0.12 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 60.87 2qq0 s VAL 36 Cb -0.15 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2qq0 s VAL 36 CO 0.02 0.56 -0.11 -0.36 0.00 0.00 0.00 175.10 175.20 2qq0 s PHE 37 N -0.03 0.93 0.04 5.22 0.08 0.44 -0.40 117.98 124.26 2qq0 s PHE 37 Ca -0.07 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.61 2qq0 s PHE 37 Cb -0.15 -0.56 -0.02 0.00 -0.57 0.00 0.00 43.02 41.72 2qq0 s PHE 37 CO 0.05 -0.01 0.01 -1.59 -0.10 0.00 0.00 175.22 173.58 2qq0 s LYS 38 N -1.09 0.51 0.55 0.44 -2.85 -0.55 -1.50 119.74 115.24 2qq0 s LYS 38 Ca -0.02 -0.89 -0.12 0.00 -1.00 0.00 0.00 55.97 53.94 2qq0 s LYS 38 Cb -0.07 0.18 -0.06 0.00 -2.06 0.00 0.00 37.83 35.82 2qq0 s LYS 38 CO 0.01 -0.10 0.96 -1.25 0.10 0.00 0.00 175.35 175.07 2qq0 s PRO 39 N -2.75 3.74 -0.33 1.78 0.04 -1.26 -1.43 135.00 134.78 2qq0 s PRO 39 Ca -0.04 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 2qq0 s PRO 39 Cb -0.00 -2.16 -0.00 0.00 0.04 0.00 0.00 34.50 32.37 2qq0 s PRO 39 CO -0.06 -0.37 1.40 0.21 0.04 0.00 0.00 177.00 178.23 2qq0 s LYS 40 N -4.60 3.76 -0.01 4.56 2.47 -0.48 -4.73 119.74 120.72 2qq0 s LYS 40 Ca 0.55 1.21 0.08 0.00 -1.56 0.00 0.00 55.97 56.25 2qq0 s LYS 40 Cb -0.10 -3.96 -0.11 0.00 -1.46 0.00 0.00 37.83 32.19 2qq0 s LYS 40 CO 0.43 -1.32 0.24 2.41 0.16 0.00 0.00 175.35 177.26 2qq0 n THR 48 N 6.58 0.00 -2.95 3.43 -1.04 -1.26 -5.03 114.28 114.01 2qq0 n THR 48 Ca 0.16 -0.23 -0.39 0.00 -2.04 0.00 0.00 64.05 61.55 2qq0 n THR 48 Cb 0.47 0.56 -0.06 0.00 -1.82 0.00 0.00 70.33 69.47 2qq0 n THR 48 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2qq0 s MET 49 N -2.28 4.56 -0.29 -2.82 -1.94 -1.26 -1.48 119.30 113.79 2qq0 s MET 49 Ca -0.01 1.17 -0.27 0.00 -1.71 0.00 0.00 55.69 54.88 2qq0 s MET 49 Cb 0.06 -3.17 0.01 0.00 2.01 0.00 0.00 34.83 33.73 2qq0 s MET 49 CO 0.34 0.52 0.95 0.42 -0.01 0.00 0.00 175.02 177.23 2qq0 s ILE 50 N -1.25 4.67 -0.08 2.53 1.01 0.24 -4.90 121.20 123.42 2qq0 s ILE 50 Ca 0.39 1.60 0.04 0.00 0.00 0.00 0.00 60.65 62.68 2qq0 s ILE 50 Cb -0.22 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 37.97 2qq0 s ILE 50 CO 0.26 -0.31 -0.21 0.68 0.00 0.00 0.00 174.94 175.36 2qq0 s VAL 51 N 3.26 1.80 0.43 2.92 -7.23 -1.26 -1.43 120.40 118.88 2qq0 s VAL 51 Ca 0.40 -0.88 -0.03 0.00 -1.81 0.00 0.00 61.98 59.66 2qq0 s VAL 51 Cb -0.14 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.21 2qq0 s VAL 51 CO 0.12 0.50 0.69 -0.94 -0.31 0.00 0.00 175.10 175.16 2qq0 s SER 52 N 0.31 6.24 0.00 4.85 1.04 -1.26 -5.00 113.70 119.88 2qq0 s SER 52 Ca -0.15 0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.98 2qq0 s SER 52 Cb -0.16 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.85 2qq0 s SER 52 CO 0.07 -0.48 1.07 1.41 0.98 0.00 0.00 173.24 176.29 2qq0 n HIS 53 N -2.07 0.00 0.00 5.02 8.25 -1.26 -5.09 115.22 120.07 2qq0 n HIS 53 Ca -0.02 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 2qq0 n HIS 53 Cb 0.56 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.37 2qq0 n HIS 53 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2qq0 n VAL 58 N 0.90 0.00 -2.51 1.59 3.14 -0.52 -5.20 118.33 115.73 2qq0 n VAL 58 Ca 0.00 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.98 2qq0 n VAL 58 Cb 0.41 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.15 2qq0 n VAL 58 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2qq0 s GLU 59 N -3.45 4.65 0.15 1.45 0.41 -1.26 0.82 118.70 121.46 2qq0 s GLU 59 Ca 0.00 1.75 0.06 0.00 -0.41 0.00 0.00 54.97 56.37 2qq0 s GLU 59 Cb 0.00 -3.22 -0.04 0.00 -1.78 0.00 0.00 34.13 29.08 2qq0 s GLU 59 CO 0.00 0.20 -0.13 0.00 -0.49 0.00 0.00 175.26 174.84 2qq0 s ALA 60 N -0.89 1.61 -0.16 5.21 0.00 -0.55 -4.81 121.76 122.17 2qq0 s ALA 60 Ca 0.46 -1.46 -0.29 0.00 0.00 0.00 0.00 51.96 50.67 2qq0 s ALA 60 Cb -0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.78 2qq0 s ALA 60 CO 0.38 0.02 1.02 -1.01 0.00 0.00 0.00 175.76 176.17 2qq0 s HIS 61 N -2.77 3.43 -0.23 0.00 3.76 0.47 -4.79 115.29 115.16 2qq0 s HIS 61 Ca 0.15 1.53 -0.23 0.00 -0.15 0.00 0.00 55.06 56.36 2qq0 s HIS 61 Cb -0.01 -3.22 -0.01 0.00 1.11 0.00 0.00 32.58 30.44 2qq0 s HIS 61 CO 0.03 -0.34 0.74 0.08 -0.85 0.00 0.00 174.74 174.40 2qq0 s VAL 62 N 2.56 4.91 0.11 -0.90 1.01 -1.26 -1.48 120.40 125.35 2qq0 s VAL 62 Ca 0.46 1.38 0.04 0.00 0.00 0.00 0.00 61.98 63.86 2qq0 s VAL 62 Cb -0.17 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2qq0 s VAL 62 CO 0.12 -0.00 -0.10 0.27 0.00 0.00 0.00 175.10 175.39 2qq0 s ILE 63 N 2.53 1.00 -0.18 2.22 -4.36 -0.52 -4.88 121.20 117.02 2qq0 s ILE 63 Ca 0.31 -1.74 -0.15 0.00 -0.26 0.00 0.00 60.65 58.82 2qq0 s ILE 63 Cb -0.16 -1.48 -0.07 0.00 1.25 0.00 0.00 42.46 42.00 2qq0 s ILE 63 CO 0.09 -0.60 -0.22 -0.62 0.24 0.00 0.00 174.94 173.83 2qq0 n GLU 64 N 0.38 0.51 -3.86 0.37 1.02 -1.26 -1.38 120.64 116.43 2qq0 n GLU 64 Ca -0.15 0.38 -0.35 0.00 -0.02 0.00 0.00 57.16 57.02 2qq0 n GLU 64 Cb 0.58 -1.58 -0.05 0.00 -0.02 0.00 0.00 31.44 30.37 2qq0 n GLU 64 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2qq0 s ARG 65 N -2.54 3.47 0.48 3.49 0.52 -1.26 -4.72 118.95 118.39 2qq0 s ARG 65 Ca -0.25 -0.18 0.19 0.00 -0.52 0.00 0.00 55.73 54.97 2qq0 s ARG 65 Cb 0.05 -3.14 1.20 0.00 0.52 0.00 0.00 34.95 33.58 2qq0 s ARG 65 CO 0.38 0.72 1.99 -1.35 0.02 0.00 0.00 175.30 177.07 2qq0 h PRO 66 N 4.43 0.20 0.00 3.54 0.11 -1.93 -1.89 132.00 136.47 2qq0 h PRO 66 Ca -0.52 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 2qq0 h PRO 66 Cb 1.21 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2qq0 h PRO 66 CO 0.63 0.13 -0.06 0.93 -0.21 0.00 0.00 178.00 179.43 2qq0 h GLU 67 N 0.21 0.00 0.00 1.05 3.07 -1.94 -1.55 114.58 115.42 2qq0 h GLU 67 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 2qq0 h GLU 67 Cb 0.72 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2qq0 h GLU 67 CO -0.05 0.06 0.00 0.93 -1.40 0.00 0.00 179.01 178.55 2qq0 h GLU 68 N 0.00 0.00 -0.65 2.33 5.08 -1.75 -2.88 114.58 116.71 2qq0 h GLU 68 Ca -0.00 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2qq0 h GLU 68 Cb 0.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2qq0 h GLU 68 CO 0.01 0.00 0.43 0.52 -1.00 0.00 0.00 179.01 178.97 2qq0 h MET 69 N 0.00 0.72 0.00 2.33 2.86 -1.45 -2.63 114.93 116.76 2qq0 h MET 69 Ca 0.00 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2qq0 h MET 69 Cb 0.16 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 2qq0 h MET 69 CO 0.00 0.48 -0.01 0.00 1.06 0.00 0.00 176.91 178.44 2qq0 h ARG 70 N 0.75 0.00 0.00 1.72 3.08 -1.73 0.90 114.38 119.10 2qq0 h ARG 70 Ca 0.26 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.28 2qq0 h ARG 70 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2qq0 h ARG 70 CO -0.08 0.01 -0.16 0.87 -1.07 0.00 0.00 179.97 179.55 2qq0 h LYS 71 N 0.00 0.00 -0.08 0.04 1.57 -1.69 -3.23 116.57 113.17 2qq0 h LYS 71 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qq0 h LYS 71 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2qq0 h LYS 71 CO 0.00 0.16 0.00 0.66 -0.57 0.00 0.00 179.45 179.70 2qq0 n TYR 72 N -3.64 0.11 -3.62 -1.35 4.01 0.30 -4.96 117.16 108.00 2qq0 n TYR 72 Ca -0.01 -0.30 -0.36 0.00 -0.16 0.00 0.00 57.90 57.07 2qq0 n TYR 72 Cb 0.28 -0.02 -0.07 0.00 -0.31 0.00 0.00 39.34 39.21 2qq0 n TYR 72 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2qq0 s ILE 73 N -0.74 5.35 0.34 -0.72 -1.09 -1.13 -4.89 121.20 118.32 2qq0 s ILE 73 Ca 0.08 0.40 0.08 0.00 -2.23 0.00 0.00 60.65 58.97 2qq0 s ILE 73 Cb 0.04 -3.56 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 2qq0 s ILE 73 CO 0.06 0.42 0.27 -1.61 -1.23 0.00 0.00 174.94 172.85 2qq0 s GLU 74 N 0.38 2.67 0.31 2.79 2.02 -1.26 -4.99 118.70 120.62 2qq0 s GLU 74 Ca 0.13 -1.34 0.09 0.00 0.02 0.00 0.00 54.97 53.87 2qq0 s GLU 74 Cb -0.12 -2.43 0.86 0.00 0.10 0.00 0.00 34.13 32.53 2qq0 s GLU 74 CO 0.02 0.09 1.73 1.05 0.02 0.00 0.00 175.26 178.17 2qq0 h GLU 75 N 1.28 0.57 -0.62 1.61 4.11 -2.01 -2.06 114.58 117.46 2qq0 h GLU 75 Ca -0.44 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2qq0 h GLU 75 Cb 1.25 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2qq0 h GLU 75 CO 0.59 0.38 0.00 -0.40 0.07 0.00 0.00 179.01 179.65 2qq0 n ASP 76 N -4.89 4.21 -4.70 3.06 5.75 -1.26 -4.93 116.55 113.79 2qq0 n ASP 76 Ca 0.26 -2.26 -0.42 0.00 -0.01 0.00 0.00 54.79 52.36 2qq0 n ASP 76 Cb 0.72 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 40.28 2qq0 n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2qq0 s THR 77 N -1.48 2.53 -0.11 2.12 2.01 -0.78 -4.14 115.64 115.80 2qq0 s THR 77 Ca 0.46 0.13 0.15 0.00 0.31 0.00 0.00 61.69 62.74 2qq0 s THR 77 Cb 0.28 -3.08 -0.22 0.00 0.01 0.00 0.00 72.50 69.49 2qq0 s THR 77 CO 0.26 0.00 0.17 0.54 -0.69 0.00 0.00 174.62 174.90 2qq0 n ARG 78 N 5.31 1.10 -3.95 4.92 5.12 0.64 -4.82 116.66 124.98 2qq0 n ARG 78 Ca 0.17 -0.06 -0.12 0.00 -1.93 0.00 0.00 57.85 55.90 2qq0 n ARG 78 Cb 0.38 -1.40 -0.14 0.00 -1.16 0.00 0.00 32.46 30.14 2qq0 n ARG 78 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2qq0 s GLY 79 N -4.57 0.09 -0.09 -0.13 0.00 -1.13 -1.55 107.32 99.94 2qq0 s GLY 79 Ca -0.07 -0.14 0.04 0.00 0.00 0.00 0.00 44.72 44.55 2qq0 s GLY 79 CO 0.67 -0.14 -0.21 0.14 0.00 0.00 0.00 173.10 173.55 2qq0 s VAL 80 N -0.24 1.84 -0.13 1.40 1.01 0.11 -1.42 120.40 122.97 2qq0 s VAL 80 Ca -0.02 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2qq0 s VAL 80 Cb -0.02 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.77 2qq0 s VAL 80 CO -0.00 0.51 -0.17 -0.36 0.00 0.00 0.00 175.10 175.08 2qq0 s PHE 81 N 0.39 2.24 -0.10 5.22 0.08 -0.29 -0.61 117.98 124.92 2qq0 s PHE 81 Ca -0.17 -1.16 0.01 0.00 0.12 0.00 0.00 56.93 55.73 2qq0 s PHE 81 Cb -0.17 -1.60 0.02 0.00 -0.57 0.00 0.00 43.02 40.70 2qq0 s PHE 81 CO 0.08 -0.59 -0.10 0.42 -0.10 0.00 0.00 175.22 174.93 2qq0 s ILE 82 N 1.11 1.10 0.22 0.64 1.01 0.27 -0.42 121.20 125.14 2qq0 s ILE 82 Ca -0.03 -0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.30 2qq0 s ILE 82 Cb -0.14 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 2qq0 s ILE 82 CO -0.05 0.37 0.31 -0.62 0.00 0.00 0.00 174.94 174.95 2qq0 s ASP 83 N 1.34 6.18 -1.33 3.58 -1.08 -0.57 -1.11 116.67 123.68 2qq0 s ASP 83 Ca -0.02 0.04 -0.05 0.00 -0.52 0.00 0.00 52.55 52.00 2qq0 s ASP 83 Cb -0.14 -1.79 0.02 0.00 -1.46 0.00 0.00 42.92 39.55 2qq0 s ASP 83 CO -0.04 -0.04 0.95 -0.62 0.52 0.00 0.00 175.17 175.94 2qq0 n GLU 84 N -1.16 -6.20 0.30 4.34 -0.58 -0.20 -4.28 120.64 112.86 2qq0 n GLU 84 Ca -0.08 0.73 0.19 0.00 -0.42 0.00 0.00 57.16 57.57 2qq0 n GLU 84 Cb 0.56 -5.59 0.90 0.00 -0.57 0.00 0.00 31.44 26.75 2qq0 n GLU 84 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2qq0 h VAL 85 N -2.10 0.09 0.00 2.62 -1.51 -1.49 -1.48 116.25 112.38 2qq0 h VAL 85 Ca -0.59 -0.32 -0.00 0.00 -1.23 0.00 0.00 66.70 64.56 2qq0 h VAL 85 Cb 1.36 1.29 -0.00 0.00 -2.13 0.00 0.00 31.29 31.81 2qq0 h VAL 85 CO 0.57 0.02 -0.00 0.06 -1.23 0.00 0.00 177.57 176.98 2qq0 h GLN 86 N 0.00 0.00 -0.01 5.19 -0.00 -1.83 -1.90 115.11 116.57 2qq0 h GLN 86 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2qq0 h GLN 86 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 2qq0 h GLN 86 CO 0.00 0.00 -0.16 1.19 -0.00 0.00 0.00 178.83 179.86 2qq0 n PHE 87 N -3.37 0.00 -3.30 0.06 3.72 -0.55 -4.73 117.46 109.28 2qq0 n PHE 87 Ca -0.03 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.04 2qq0 n PHE 87 Cb 0.08 -0.14 -0.06 0.00 -0.94 0.00 0.00 39.48 38.42 2qq0 n PHE 87 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2qq0 s PHE 88 N -2.44 3.49 0.37 1.38 0.08 -0.71 -5.02 117.98 115.13 2qq0 s PHE 88 Ca 0.28 1.06 -0.26 0.00 0.12 0.00 0.00 56.93 58.14 2qq0 s PHE 88 Cb 0.20 -2.39 -0.12 0.00 -0.57 0.00 0.00 43.02 40.13 2qq0 s PHE 88 CO 0.48 0.29 0.99 -1.71 -0.10 0.00 0.00 175.22 175.17 2qq0 n ASN 89 N 0.19 1.22 0.01 1.36 2.85 -1.26 -4.73 115.26 114.90 2qq0 n ASN 89 Ca -0.01 1.08 0.02 0.00 -0.11 0.00 0.00 54.58 55.56 2qq0 n ASN 89 Cb 0.52 -1.32 0.09 0.00 1.24 0.00 0.00 39.78 40.31 2qq0 n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2qq0 n PRO 90 N 0.40 0.01 0.17 1.20 -0.04 -1.26 -1.29 135.00 134.19 2qq0 n PRO 90 Ca 0.09 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 64.12 2qq0 n PRO 90 Cb 0.37 -1.52 0.62 0.00 -0.04 0.00 0.00 33.50 32.93 2qq0 n PRO 90 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2qq0 h SER 91 N 0.00 0.00 -0.74 3.54 4.64 -2.00 -1.70 113.55 117.29 2qq0 h SER 91 Ca 0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 2qq0 h SER 91 Cb 0.06 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 2qq0 h SER 91 CO 0.00 0.00 0.50 0.25 -0.87 0.00 0.00 176.83 176.71 2qq0 h LEU 92 N 0.00 0.25 -0.27 5.97 5.85 -1.54 -1.82 115.31 123.75 2qq0 h LEU 92 Ca 0.00 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.79 2qq0 h LEU 92 Cb 0.01 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 2qq0 h LEU 92 CO 0.00 0.12 -0.10 0.15 -0.34 0.00 0.00 178.44 178.27 2qq0 h PHE 93 N 0.26 -0.23 -0.01 1.25 3.57 -1.56 0.22 116.94 120.43 2qq0 h PHE 93 Ca 0.36 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.73 2qq0 h PHE 93 Cb 1.04 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 2qq0 h PHE 93 CO -0.00 -0.16 -0.73 0.93 -2.23 0.00 0.00 178.31 176.12 2qq0 h GLU 94 N -0.05 0.10 -0.22 1.11 4.39 -1.57 -1.33 114.58 117.00 2qq0 h GLU 94 Ca 0.14 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2qq0 h GLU 94 Cb 0.26 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2qq0 h GLU 94 CO -0.31 0.78 0.05 0.28 -1.16 0.00 0.00 179.01 178.65 2qq0 h VAL 95 N 0.06 1.22 -0.41 3.13 2.07 -1.02 -2.07 116.25 119.23 2qq0 h VAL 95 Ca -0.02 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.81 2qq0 h VAL 95 Cb 1.29 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 2qq0 h VAL 95 CO 0.10 0.22 0.24 0.58 0.02 0.00 0.00 177.57 178.73 2qq0 h VAL 96 N 0.18 1.03 -0.85 2.57 2.07 -0.87 -2.17 116.25 118.20 2qq0 h VAL 96 Ca 0.07 -0.16 0.10 0.00 0.82 0.00 0.00 66.70 67.53 2qq0 h VAL 96 Cb 0.29 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.50 2qq0 h VAL 96 CO 0.00 0.09 0.49 0.50 0.02 0.00 0.00 177.57 178.67 2qq0 h LYS 97 N 0.48 0.78 -0.58 1.57 3.64 -1.07 -0.29 116.57 121.10 2qq0 h LYS 97 Ca 0.16 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 2qq0 h LYS 97 Cb 0.02 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2qq0 h LYS 97 CO -0.08 0.52 -0.00 0.22 -2.27 0.00 0.00 179.45 177.83 2qq0 h ASP 98 N 0.80 1.00 -0.41 4.20 3.58 -1.08 -1.46 116.42 123.05 2qq0 h ASP 98 Ca 0.42 -0.31 0.02 0.00 0.42 0.00 0.00 57.03 57.58 2qq0 h ASP 98 Cb 0.41 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 2qq0 h ASP 98 CO -0.26 1.07 0.22 -0.07 -2.88 0.00 0.00 179.24 177.32 2qq0 h LEU 99 N 0.91 0.35 -0.97 2.28 3.38 -0.68 -2.46 115.31 118.12 2qq0 h LEU 99 Ca 0.16 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2qq0 h LEU 99 Cb 0.55 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2qq0 h LEU 99 CO 0.03 0.25 0.61 -0.07 0.09 0.00 0.00 178.44 179.35 2qq0 h LEU 100 N 0.45 1.14 -1.78 1.67 3.38 -0.76 -1.82 115.31 117.59 2qq0 h LEU 100 Ca 0.17 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2qq0 h LEU 100 Cb 0.04 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 2qq0 h LEU 100 CO -0.10 0.85 -0.16 0.44 0.09 0.00 0.00 178.44 179.57 2qq0 h ASP 101 N 1.33 0.00 -0.17 -0.43 3.32 -0.87 -0.24 116.42 119.36 2qq0 h ASP 101 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2qq0 h ASP 101 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2qq0 h ASP 101 CO -0.07 0.16 0.00 0.54 -1.72 0.00 0.00 179.24 178.15 2qq0 n ARG 102 N -3.84 1.72 -0.54 3.56 1.74 -0.75 -4.86 116.66 113.70 2qq0 n ARG 102 Ca -0.02 -1.08 0.00 0.00 -0.77 0.00 0.00 57.85 55.98 2qq0 n ARG 102 Cb 0.26 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 2qq0 n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qq0 n GLY 103 N 1.12 0.73 3.68 -0.13 0.00 -0.61 -4.91 105.19 105.06 2qq0 n GLY 103 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2qq0 n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qq0 s ILE 104 N -2.08 5.20 0.29 -0.61 1.01 -0.84 -4.05 121.20 120.12 2qq0 s ILE 104 Ca 0.00 0.73 -0.28 0.00 0.00 0.00 0.00 60.65 61.09 2qq0 s ILE 104 Cb 0.00 -3.73 -0.09 0.00 0.01 0.00 0.00 42.46 38.64 2qq0 s ILE 104 CO 0.00 0.26 1.02 -1.81 0.00 0.00 0.00 174.94 174.41 2qq0 s ASP 105 N 1.00 7.33 -0.04 3.58 1.01 -0.60 -3.81 116.67 125.14 2qq0 s ASP 105 Ca 0.20 2.09 0.05 0.00 0.71 0.00 0.00 52.55 55.59 2qq0 s ASP 105 Cb -0.15 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.17 2qq0 s ASP 105 CO 0.08 -0.08 -0.19 -0.69 0.21 0.00 0.00 175.17 174.50 2qq0 s VAL 106 N -1.29 1.55 -0.12 -1.27 1.01 -0.32 -0.71 120.40 119.26 2qq0 s VAL 106 Ca 0.46 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2qq0 s VAL 106 Cb -0.27 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.80 2qq0 s VAL 106 CO 0.34 0.44 -0.12 -0.36 0.00 0.00 0.00 175.10 175.40 2qq0 s PHE 107 N -0.07 1.82 -0.03 5.22 0.08 0.22 -1.08 117.98 124.14 2qq0 s PHE 107 Ca -0.02 -0.91 0.07 0.00 0.12 0.00 0.00 56.93 56.19 2qq0 s PHE 107 Cb -0.11 -1.38 -0.02 0.00 -0.57 0.00 0.00 43.02 40.94 2qq0 s PHE 107 CO 0.02 -0.52 -0.25 0.00 -0.10 0.00 0.00 175.22 174.36 2qq0 s ALA 109 N -0.47 1.85 -0.04 0.00 0.00 -0.27 -0.33 121.76 122.50 2qq0 s ALA 109 Ca 0.06 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 50.79 2qq0 s ALA 109 Cb -0.11 -0.53 0.13 0.00 0.00 0.00 0.00 23.12 22.61 2qq0 s ALA 109 CO 0.00 0.40 1.33 0.20 0.00 0.00 0.00 175.76 177.70 2qq0 s GLY 110 N -0.30 -0.44 0.28 0.00 0.00 -0.60 -1.03 107.32 105.24 2qq0 s GLY 110 Ca 0.03 0.77 -0.29 0.00 0.00 0.00 0.00 44.72 45.22 2qq0 s GLY 110 CO 0.01 0.18 1.07 1.08 0.00 0.00 0.00 173.10 175.44 2qq0 s LEU 111 N -2.99 4.55 -0.03 0.66 1.43 -1.26 -3.76 118.68 117.27 2qq0 s LEU 111 Ca 0.14 2.21 -0.07 0.00 -1.03 0.00 0.00 54.13 55.38 2qq0 s LEU 111 Cb 0.06 -3.65 -0.30 0.00 0.03 0.00 0.00 46.19 42.33 2qq0 s LEU 111 CO -0.05 -0.11 0.75 -2.24 0.23 0.00 0.00 176.35 174.93 2qq0 h ASP 112 N 3.80 0.52 -4.38 2.29 3.04 -1.93 -3.43 116.42 116.33 2qq0 h ASP 112 Ca -0.47 -0.76 -0.43 0.00 -3.24 0.00 0.00 57.03 52.14 2qq0 h ASP 112 Cb 1.21 -0.17 -0.24 0.00 -1.04 0.00 0.00 39.33 39.09 2qq0 h ASP 112 CO 0.67 1.64 -0.79 -0.76 -2.04 0.00 0.00 179.24 177.96 2qq0 s LEU 113 N -7.15 2.20 1.03 0.15 1.43 -1.26 -1.73 118.68 113.35 2qq0 s LEU 113 Ca -0.13 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.32 2qq0 s LEU 113 Cb 0.06 -0.55 0.21 0.00 0.03 0.00 0.00 46.19 45.93 2qq0 s LEU 113 CO 0.86 -0.01 1.15 0.42 0.23 0.00 0.00 176.35 179.00 2qq0 s THR 114 N -0.97 1.87 -0.18 5.49 -4.23 0.62 -4.85 115.64 113.38 2qq0 s THR 114 Ca 0.00 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 60.78 2qq0 s THR 114 Cb -0.08 -2.67 0.29 0.00 1.34 0.00 0.00 72.50 71.38 2qq0 s THR 114 CO 0.01 0.00 1.82 1.12 -0.54 0.00 0.00 174.62 177.04 2qq0 h HIS 115 N -1.94 0.00 -0.20 3.99 2.07 -1.90 0.49 115.15 117.66 2qq0 h HIS 115 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 2qq0 h HIS 115 Cb 1.30 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.28 2qq0 h HIS 115 CO -0.74 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 175.75 2qq0 n LYS 116 N -2.50 1.85 -2.35 5.12 5.02 -1.26 -4.64 118.16 119.39 2qq0 n LYS 116 Ca 0.00 -1.27 -0.15 0.00 -2.02 0.00 0.00 58.31 54.87 2qq0 n LYS 116 Cb 0.18 -1.41 -0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2qq0 n LYS 116 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2qq0 n GLN 117 N 0.50 -1.49 -3.73 1.97 6.02 0.16 -5.03 117.38 115.80 2qq0 n GLN 117 Ca 0.16 0.73 -0.32 0.00 -0.01 0.00 0.00 57.00 57.57 2qq0 n GLN 117 Cb 0.37 -5.08 -0.05 0.00 1.02 0.00 0.00 30.24 26.50 2qq0 n GLN 117 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2qq0 s ASN 118 N -2.36 6.47 0.35 1.08 0.02 -1.26 -4.86 114.94 114.38 2qq0 s ASN 118 Ca 0.02 0.53 -0.28 0.00 -1.02 0.00 0.00 52.86 52.12 2qq0 s ASN 118 Cb -0.01 -2.07 -0.10 0.00 0.02 0.00 0.00 41.25 39.09 2qq0 s ASN 118 CO 0.03 0.10 1.33 -2.84 0.02 0.00 0.00 177.10 175.74 2qq0 s PRO 119 N -2.49 4.28 -0.36 -0.60 0.02 -1.26 -0.28 135.00 134.30 2qq0 s PRO 119 Ca 0.38 2.26 -0.29 0.00 0.02 0.00 0.00 61.00 63.37 2qq0 s PRO 119 Cb -0.12 -3.02 0.01 0.00 0.02 0.00 0.00 34.50 31.39 2qq0 s PRO 119 CO 0.24 -0.27 1.25 -0.06 -0.33 0.00 0.00 177.00 177.84 2qq0 s PHE 120 N -1.15 2.73 0.29 6.54 0.08 -0.70 -4.76 117.98 121.00 2qq0 s PHE 120 Ca 0.50 0.85 -0.01 0.00 0.12 0.00 0.00 56.93 58.40 2qq0 s PHE 120 Cb -0.40 -4.07 0.44 0.00 -0.57 0.00 0.00 43.02 38.41 2qq0 s PHE 120 CO 0.54 -1.52 1.85 1.05 -0.10 0.00 0.00 175.22 177.03 2qq0 h GLU 121 N 9.38 0.82 -0.55 0.44 9.09 -1.89 -1.14 114.58 130.73 2qq0 h GLU 121 Ca -0.25 -0.15 -0.07 0.00 0.05 0.00 0.00 59.36 58.94 2qq0 h GLU 121 Cb 1.09 -0.13 -0.02 0.00 -1.65 0.00 0.00 28.75 28.03 2qq0 h GLU 121 CO 1.06 0.71 0.06 1.15 0.05 0.00 0.00 179.01 182.05 2qq0 h THR 122 N 0.79 1.26 -0.64 -1.06 2.02 -1.84 -1.06 112.91 112.37 2qq0 h THR 122 Ca 0.18 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 2qq0 h THR 122 Cb 0.25 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 2qq0 h THR 122 CO -0.01 0.37 0.37 0.74 0.37 0.00 0.00 175.52 177.36 2qq0 h THR 123 N 0.82 1.20 -0.66 3.16 2.02 -1.69 -1.71 112.91 116.04 2qq0 h THR 123 Ca 0.16 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2qq0 h THR 123 Cb 0.46 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 2qq0 h THR 123 CO 0.02 0.21 0.39 0.00 0.37 0.00 0.00 175.52 176.51 2qq0 h ALA 124 N 1.18 0.84 -0.81 6.16 0.00 -0.76 0.54 119.26 126.41 2qq0 h ALA 124 Ca 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2qq0 h ALA 124 Cb 0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2qq0 h ALA 124 CO -0.04 0.32 0.42 -0.07 0.00 0.00 0.00 179.25 179.88 2qq0 h LEU 125 N 0.89 1.04 -0.94 0.00 3.38 -0.97 -1.90 115.31 116.81 2qq0 h LEU 125 Ca 0.24 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 2qq0 h LEU 125 Cb -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2qq0 h LEU 125 CO -0.04 0.86 -0.43 -0.07 0.09 0.00 0.00 178.44 178.84 2qq0 h LEU 126 N 1.14 0.21 -1.02 1.67 3.38 -0.46 -2.50 115.31 117.74 2qq0 h LEU 126 Ca 0.28 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2qq0 h LEU 126 Cb 0.07 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2qq0 h LEU 126 CO -0.04 0.62 0.22 -0.07 0.09 0.00 0.00 178.44 179.26 2qq0 h LEU 127 N 0.16 0.85 -1.06 1.67 3.38 -0.51 -0.37 115.31 119.44 2qq0 h LEU 127 Ca 0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2qq0 h LEU 127 Cb 0.84 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2qq0 h LEU 127 CO 0.07 0.78 0.52 0.28 0.09 0.00 0.00 178.44 180.18 2qq0 h SER 128 N 0.90 1.03 1.64 -0.43 0.02 -0.93 -2.98 113.55 112.81 2qq0 h SER 128 Ca 0.21 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2qq0 h SER 128 Cb 0.22 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2qq0 h SER 128 CO -0.01 0.79 -0.36 0.25 -1.14 0.00 0.00 176.83 176.36 2qq0 h LEU 129 N 1.19 0.00 -9.97 5.07 5.85 -1.04 -3.48 115.31 112.93 2qq0 h LEU 129 Ca 0.31 -0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.49 2qq0 h LEU 129 Cb -0.06 0.00 0.12 0.00 0.37 0.00 0.00 40.66 41.09 2qq0 h LEU 129 CO -0.06 0.00 0.76 0.00 -0.34 0.00 0.00 178.44 178.80 2qq0 s ALA 130 N -3.26 3.45 0.08 1.25 0.00 -0.22 -4.84 121.76 118.21 2qq0 s ALA 130 Ca 0.04 1.56 -0.07 0.00 0.00 0.00 0.00 51.96 53.50 2qq0 s ALA 130 Cb 0.07 -3.61 -0.26 0.00 0.00 0.00 0.00 23.12 19.31 2qq0 s ALA 130 CO 0.71 -1.15 1.14 -0.44 0.00 0.00 0.00 175.76 176.03 2qq0 h ASP 131 N 2.71 0.53 -3.72 0.00 3.32 -1.14 -3.46 116.42 114.65 2qq0 h ASP 131 Ca -0.51 -0.54 -0.28 0.00 0.02 0.00 0.00 57.03 55.72 2qq0 h ASP 131 Cb 1.25 -0.17 -0.30 0.00 0.22 0.00 0.00 39.33 40.33 2qq0 h ASP 131 CO 0.63 1.40 -0.74 -0.89 -1.72 0.00 0.00 179.24 177.92 2qq0 s THR 132 N -2.76 0.14 -0.15 0.35 2.01 -0.92 -5.03 115.64 109.28 2qq0 s THR 132 Ca -0.05 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 61.93 2qq0 s THR 132 Cb 0.07 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.43 2qq0 s THR 132 CO 0.89 0.07 -0.19 -0.69 -0.69 0.00 0.00 174.62 174.01 2qq0 s VAL 133 N 0.24 2.29 -0.34 3.82 1.01 -1.26 -1.11 120.40 125.05 2qq0 s VAL 133 Ca -0.02 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 2qq0 s VAL 133 Cb -0.04 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.44 2qq0 s VAL 133 CO -0.01 0.53 0.10 -0.63 0.00 0.00 0.00 175.10 175.10 2qq0 s ILE 134 N 0.91 3.75 -0.26 2.22 1.01 0.06 -4.98 121.20 123.90 2qq0 s ILE 134 Ca -0.04 -1.16 -0.21 0.00 0.00 0.00 0.00 60.65 59.24 2qq0 s ILE 134 Cb -0.15 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 2qq0 s ILE 134 CO -0.03 -0.19 0.64 -0.54 0.00 0.00 0.00 174.94 174.82 2qq0 s LYS 135 N 1.39 4.09 0.03 2.79 -0.14 -1.26 -0.83 119.74 125.81 2qq0 s LYS 135 Ca -0.02 0.54 -0.04 0.00 -1.36 0.00 0.00 55.97 55.10 2qq0 s LYS 135 Cb -0.20 -3.66 -0.04 0.00 -1.68 0.00 0.00 37.83 32.25 2qq0 s LYS 135 CO 0.03 -0.44 0.24 0.15 -0.76 0.00 0.00 175.35 174.56 2qq0 s LYS 136 N 2.55 3.51 0.24 1.68 -0.14 0.91 -4.97 119.74 123.52 2qq0 s LYS 136 Ca 0.27 -0.23 0.09 0.00 -1.36 0.00 0.00 55.97 54.73 2qq0 s LYS 136 Cb -0.15 -3.05 -0.04 0.00 -1.68 0.00 0.00 37.83 32.91 2qq0 s LYS 136 CO 0.09 0.63 0.02 0.15 -0.76 0.00 0.00 175.35 175.48 2qq0 s LYS 137 N -2.07 2.39 0.43 1.68 1.02 -1.26 -4.22 119.74 117.71 2qq0 s LYS 137 Ca 0.30 -1.30 0.06 0.00 0.02 0.00 0.00 55.97 55.06 2qq0 s LYS 137 Cb -0.13 -2.26 -0.05 0.00 -0.52 0.00 0.00 37.83 34.87 2qq0 s LYS 137 CO 0.20 0.39 0.11 0.00 -0.92 0.00 0.00 175.35 175.13 2qq0 s ALA 138 N -2.15 3.53 0.04 5.17 0.00 -0.47 -4.46 121.76 123.42 2qq0 s ALA 138 Ca 0.31 -1.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.00 2qq0 s ALA 138 Cb -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 2qq0 s ALA 138 CO 0.20 -0.15 0.98 0.08 0.00 0.00 0.00 175.76 176.87 2qq0 s VAL 139 N -2.68 4.73 0.04 0.00 1.01 -1.26 -0.89 120.40 121.35 2qq0 s VAL 139 Ca 0.35 2.06 -0.31 0.00 0.00 0.00 0.00 61.98 64.08 2qq0 s VAL 139 Cb 0.06 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 2qq0 s VAL 139 CO 0.19 0.21 1.42 0.00 0.00 0.00 0.00 175.10 176.92 2qq0 h HIS 141 N 7.56 0.00 0.01 0.00 2.76 -1.26 0.27 115.15 124.49 2qq0 h HIS 141 Ca -0.40 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.51 2qq0 h HIS 141 Cb 1.19 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.12 2qq0 h HIS 141 CO 0.73 0.00 -1.41 -2.13 -1.30 0.00 0.00 177.93 173.82 2qq0 n ARG 142 N -4.25 0.58 -0.00 5.26 0.63 -1.26 -4.64 116.66 112.99 2qq0 n ARG 142 Ca -0.03 0.53 0.08 0.00 -0.92 0.00 0.00 57.85 57.51 2qq0 n ARG 142 Cb 0.09 -1.73 -0.10 0.00 0.45 0.00 0.00 32.46 31.17 2qq0 n ARG 142 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qq0 n GLY 144 N 1.41 0.74 3.82 0.00 0.00 0.08 -4.98 105.19 106.27 2qq0 n GLY 144 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2qq0 n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qq0 s GLU 145 N -0.24 4.01 -1.40 1.61 0.41 -1.26 -4.62 118.70 117.21 2qq0 s GLU 145 Ca 0.00 1.10 -0.13 0.00 -0.41 0.00 0.00 54.97 55.53 2qq0 s GLU 145 Cb 0.00 -2.14 0.08 0.00 -1.78 0.00 0.00 34.13 30.29 2qq0 s GLU 145 CO 0.00 -0.22 2.09 0.98 -0.49 0.00 0.00 175.26 177.61 2qq0 n TYR 146 N -1.11 3.47 -1.78 1.61 9.36 -1.26 -0.51 117.16 126.95 2qq0 n TYR 146 Ca 0.07 -2.93 0.00 0.00 3.32 0.00 0.00 57.90 58.37 2qq0 n TYR 146 Cb 0.54 -2.39 0.00 0.00 -0.63 0.00 0.00 39.34 36.86 2qq0 n TYR 146 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2qq0 n ASN 147 N 5.61 0.00 -4.68 2.98 6.94 -1.13 -4.92 115.26 120.07 2qq0 n ASN 147 Ca 0.48 -1.34 -0.43 0.00 -0.02 0.00 0.00 54.58 53.27 2qq0 n ASN 147 Cb 0.39 -0.07 -0.02 0.00 -2.36 0.00 0.00 39.78 37.71 2qq0 n ASN 147 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qq0 s ALA 148 N 0.00 3.49 0.00 -2.53 0.00 -0.07 -4.32 121.76 118.32 2qq0 s ALA 148 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2qq0 s ALA 148 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2qq0 s ALA 148 CO 0.00 -0.75 0.37 0.25 0.00 0.00 0.00 175.76 175.63 2qq0 n THR 149 N 4.76 0.00 -4.40 0.00 -2.24 -0.98 -1.36 114.28 110.06 2qq0 n THR 149 Ca 0.10 -0.47 -0.20 0.00 -2.27 0.00 0.00 64.05 61.20 2qq0 n THR 149 Cb 0.48 1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 69.64 2qq0 n THR 149 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2qq0 s LEU 150 N -0.43 2.52 -0.09 3.22 1.43 -0.68 -4.19 118.68 120.46 2qq0 s LEU 150 Ca 0.00 -1.11 0.03 0.00 -1.03 0.00 0.00 54.13 52.02 2qq0 s LEU 150 Cb 0.00 -0.69 -0.02 0.00 0.03 0.00 0.00 46.19 45.52 2qq0 s LEU 150 CO 0.00 -0.24 -0.17 -0.89 0.23 0.00 0.00 176.35 175.27 2qq0 s THR 151 N -2.96 2.74 -0.11 5.49 2.01 -1.26 -1.00 115.64 120.55 2qq0 s THR 151 Ca 0.27 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.47 2qq0 s THR 151 Cb 0.01 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2qq0 s THR 151 CO 0.10 0.56 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.23 2qq0 s LEU 152 N -0.08 2.72 -0.16 4.42 2.96 0.64 -4.30 118.68 124.86 2qq0 s LEU 152 Ca -0.03 -0.29 -0.21 0.00 -0.22 0.00 0.00 54.13 53.37 2qq0 s LEU 152 Cb -0.14 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 2qq0 s LEU 152 CO 0.04 0.22 0.63 -0.75 -1.32 0.00 0.00 176.35 175.16 2qq0 s LYS 153 N 0.05 4.27 0.00 1.98 2.20 -1.26 -0.98 119.74 126.00 2qq0 s LYS 153 Ca -0.05 0.65 0.06 0.00 -0.36 0.00 0.00 55.97 56.27 2qq0 s LYS 153 Cb -0.14 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 2qq0 s LYS 153 CO 0.04 -0.14 0.48 1.33 -0.36 0.00 0.00 175.35 176.70 2qq0 n VAL 154 N 4.41 0.00 -3.92 4.02 0.24 0.50 -5.00 118.33 118.59 2qq0 n VAL 154 Ca -0.02 -0.43 -0.08 0.00 -2.04 0.00 0.00 64.34 61.76 2qq0 n VAL 154 Cb 0.50 1.07 -0.04 0.00 -1.47 0.00 0.00 33.84 33.90 2qq0 n VAL 154 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qq0 s ALA 155 N -1.05 -0.65 0.00 2.33 0.00 -1.20 -4.98 121.76 116.21 2qq0 s ALA 155 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2qq0 s ALA 155 Cb 0.05 0.97 0.00 0.00 0.00 0.00 0.00 23.12 24.14 2qq0 s ALA 155 CO 0.16 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.43 2qq0 n GLY 156 N -0.40 -2.35 0.00 0.00 0.00 -1.26 -4.86 105.19 96.32 2qq0 n GLY 156 Ca -0.04 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2qq0 n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qq0 n GLY 157 N -0.54 -0.43 0.03 -0.02 0.00 -1.26 -4.95 105.19 98.02 2qq0 n GLY 157 Ca 0.00 -1.72 0.15 0.00 0.00 0.00 0.00 46.02 44.45 2qq0 n GLY 157 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qq0 n GLU 158 N -0.45 0.85 -1.64 1.61 -0.58 -1.26 -4.95 120.64 114.22 2qq0 n GLU 158 Ca 0.00 -0.06 -0.45 0.00 -0.42 0.00 0.00 57.16 56.23 2qq0 n GLU 158 Cb 0.00 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.35 2qq0 n GLU 158 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2qq0 n GLU 159 N -1.02 1.77 0.10 3.49 4.71 -1.26 -4.90 120.64 123.53 2qq0 n GLU 159 Ca 0.20 0.63 0.12 0.00 -0.01 0.00 0.00 57.16 58.11 2qq0 n GLU 159 Cb 0.17 -2.20 0.26 0.00 -1.01 0.00 0.00 31.44 28.66 2qq0 n GLU 159 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2qq0 h GLU 160 N 3.44 0.00 -4.59 3.49 5.08 -2.04 -3.40 114.58 116.57 2qq0 h GLU 160 Ca -0.44 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.22 2qq0 h GLU 160 Cb 1.30 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.24 2qq0 h GLU 160 CO 0.70 0.00 -0.58 0.42 -1.00 0.00 0.00 179.01 178.55 2qq0 s ILE 161 N -3.16 3.51 -0.29 3.13 -1.09 -1.26 -4.89 121.20 117.15 2qq0 s ILE 161 Ca 0.08 -1.55 0.01 0.00 -2.23 0.00 0.00 60.65 56.96 2qq0 s ILE 161 Cb 0.12 -3.16 0.20 0.00 -1.58 0.00 0.00 42.46 38.03 2qq0 s ILE 161 CO 0.67 -0.39 0.69 -0.62 -1.23 0.00 0.00 174.94 174.06 2qq0 s ASP 162 N 1.65 -1.35 0.35 3.58 -1.08 -1.26 -5.15 116.67 113.42 2qq0 s ASP 162 Ca 0.02 0.23 -0.28 0.00 -0.52 0.00 0.00 52.55 52.00 2qq0 s ASP 162 Cb -0.21 1.89 -0.10 0.00 -1.46 0.00 0.00 42.92 43.03 2qq0 s ASP 162 CO -0.01 -0.25 1.34 -0.69 0.52 0.00 0.00 175.17 176.08 2qq0 s VAL 163 N 2.86 2.58 0.00 1.11 1.01 -1.26 -4.97 120.40 121.72 2qq0 s VAL 163 Ca 0.14 0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2qq0 s VAL 163 Cb -0.09 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2qq0 s VAL 163 CO -0.24 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.59 2qq0 n GLY 164 N 0.71 -0.80 0.00 4.51 0.00 -1.26 -5.09 105.19 103.27 2qq0 n GLY 164 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2qq0 n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qq0 n GLY 165 N -0.49 4.95 0.13 -0.02 0.00 -1.26 -4.93 105.19 103.57 2qq0 n GLY 165 Ca 0.00 -1.03 0.11 0.00 0.00 0.00 0.00 46.02 45.11 2qq0 n GLY 165 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qq0 n GLN 166 N 0.00 0.18 0.16 1.61 6.02 -1.26 -0.90 117.38 123.18 2qq0 n GLN 166 Ca 0.00 0.47 0.13 0.00 -0.01 0.00 0.00 57.00 57.59 2qq0 n GLN 166 Cb 0.00 -1.88 0.45 0.00 1.02 0.00 0.00 30.24 29.83 2qq0 n GLN 166 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 2qq0 h GLU 167 N 0.00 0.00 0.00 -1.09 9.09 -2.02 -3.36 114.58 117.20 2qq0 h GLU 167 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2qq0 h GLU 167 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 2qq0 h GLU 167 CO 0.00 0.00 -0.88 1.17 0.05 0.00 0.00 179.01 179.35 2qq0 n LYS 168 N -2.51 3.20 -4.23 1.06 4.81 -0.08 -4.44 118.16 115.97 2qq0 n LYS 168 Ca 0.03 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.31 2qq0 n LYS 168 Cb 0.35 -0.94 -0.14 0.00 0.02 0.00 0.00 35.03 34.32 2qq0 n LYS 168 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2qq0 s TYR 169 N -1.87 0.70 0.13 5.64 2.02 -0.18 -0.37 117.35 123.42 2qq0 s TYR 169 Ca 0.00 -0.22 0.07 0.00 -0.37 0.00 0.00 57.07 56.55 2qq0 s TYR 169 Cb 0.00 -0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 41.08 2qq0 s TYR 169 CO 0.00 -0.02 -0.17 0.96 -1.57 0.00 0.00 175.55 174.76 2qq0 s ILE 170 N -0.47 1.53 -0.08 2.71 -4.36 -0.15 -4.27 121.20 116.11 2qq0 s ILE 170 Ca 0.00 -1.72 -0.16 0.00 -0.26 0.00 0.00 60.65 58.51 2qq0 s ILE 170 Cb -0.05 -1.60 -0.05 0.00 1.25 0.00 0.00 42.46 42.01 2qq0 s ILE 170 CO 0.00 -0.31 0.42 0.00 0.24 0.00 0.00 174.94 175.29 2qq0 s ALA 171 N -1.88 3.58 0.04 2.27 0.00 -1.26 -0.26 121.76 124.24 2qq0 s ALA 171 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 2qq0 s ALA 171 Cb -0.06 -2.50 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 2qq0 s ALA 171 CO 0.04 0.21 -0.01 0.14 0.00 0.00 0.00 175.76 176.14 2qq0 s VAL 172 N -0.09 0.17 0.77 0.00 -7.23 -0.17 -0.69 120.40 113.15 2qq0 s VAL 172 Ca 0.23 -1.39 -0.12 0.00 -1.81 0.00 0.00 61.98 58.90 2qq0 s VAL 172 Cb -0.15 -0.99 0.05 0.00 0.56 0.00 0.00 36.38 35.85 2qq0 s VAL 172 CO 0.10 -0.77 1.11 0.00 -0.31 0.00 0.00 175.10 175.24 2qq0 h ARG 174 N -0.93 0.88 -0.43 0.00 2.43 -1.97 0.18 114.38 114.55 2qq0 h ARG 174 Ca -0.46 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.63 2qq0 h ARG 174 Cb 1.28 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 2qq0 h ARG 174 CO 0.63 0.58 0.18 -0.44 -1.51 0.00 0.00 179.97 179.41 2qq0 h ASP 175 N 0.90 0.58 -0.69 -3.80 3.32 -1.96 -1.13 116.42 113.64 2qq0 h ASP 175 Ca 0.28 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 2qq0 h ASP 175 Cb -0.02 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2qq0 h ASP 175 CO -0.09 0.58 0.18 0.00 -1.72 0.00 0.00 179.24 178.19 2qq0 h TYR 177 N 1.06 0.22 -0.17 0.00 3.20 -0.25 -0.49 116.97 120.54 2qq0 h TYR 177 Ca 0.22 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.99 2qq0 h TYR 177 Cb 0.35 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 2qq0 h TYR 177 CO 0.03 0.12 -0.37 -0.91 -1.64 0.00 0.00 178.16 175.39 2qq0 h ASN 178 N 0.26 0.38 -0.09 -2.11 2.35 -0.98 -1.22 115.58 114.17 2qq0 h ASN 178 Ca 0.10 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 2qq0 h ASN 178 Cb 0.04 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 2qq0 h ASN 178 CO -0.08 0.73 0.02 0.74 -1.65 0.00 0.00 177.43 177.19 2qq0 h THR 179 N 0.31 1.19 -0.05 2.81 2.02 -0.81 -3.18 112.91 115.20 2qq0 h THR 179 Ca 0.03 -0.59 -0.09 0.00 0.77 0.00 0.00 66.41 66.52 2qq0 h THR 179 Cb 0.80 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 2qq0 h THR 179 CO 0.06 0.17 -0.40 -0.07 0.37 0.00 0.00 175.52 175.65 2qq0 h LEU 180 N -0.06 0.12 0.00 2.58 3.38 -0.86 -3.51 115.31 116.96 2qq0 h LEU 180 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qq0 h LEU 180 Cb 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2qq0 h LEU 180 CO 0.00 0.51 0.00 0.29 0.09 0.00 0.00 178.44 179.33