#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qp0 s ARG 2 N 0.00 0.95 0.43 0.03 0.52 -1.26 -4.72 118.95 114.90 2qp0 s ARG 2 Ca 0.00 1.28 0.01 0.00 -0.52 0.00 0.00 55.73 56.51 2qp0 s ARG 2 Cb 0.00 -1.74 -0.01 0.00 0.52 0.00 0.00 34.95 33.73 2qp0 s ARG 2 CO 0.00 -2.59 0.64 -1.01 0.02 0.00 0.00 175.30 172.36 2qp0 s HIS 3 N -2.70 3.21 -0.20 -0.53 3.76 -1.26 -3.80 115.29 113.77 2qp0 s HIS 3 Ca 0.66 0.17 -0.06 0.00 -0.15 0.00 0.00 55.06 55.68 2qp0 s HIS 3 Cb -0.22 -2.25 0.10 0.00 1.11 0.00 0.00 32.58 31.32 2qp0 s HIS 3 CO 0.59 -0.29 0.40 0.71 -0.85 0.00 0.00 174.74 175.29 2qp0 s TYR 4 N -2.49 -0.79 -1.37 1.40 2.02 -1.24 -0.41 117.35 114.47 2qp0 s TYR 4 Ca 0.48 1.33 -0.07 0.00 -0.37 0.00 0.00 57.07 58.44 2qp0 s TYR 4 Cb -0.10 0.22 0.09 0.00 -0.40 0.00 0.00 41.96 41.77 2qp0 s TYR 4 CO 0.37 -0.53 2.44 -1.91 -1.57 0.00 0.00 175.55 174.35 2qp0 n GLU 5 N 5.38 4.36 -2.09 -0.62 2.13 -1.20 -2.24 120.64 126.36 2qp0 n GLU 5 Ca -0.07 -3.25 -0.41 0.00 0.66 0.00 0.00 57.16 54.09 2qp0 n GLU 5 Cb 0.50 -2.69 -0.02 0.00 0.27 0.00 0.00 31.44 29.49 2qp0 n GLU 5 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 2qp0 s ILE 6 N -0.44 2.78 -0.05 6.31 1.10 -1.26 -3.05 121.20 126.60 2qp0 s ILE 6 Ca 0.55 0.70 -0.05 0.00 -0.51 0.00 0.00 60.65 61.34 2qp0 s ILE 6 Cb 0.18 -3.44 0.01 0.00 0.15 0.00 0.00 42.46 39.36 2qp0 s ILE 6 CO -0.08 0.13 0.14 0.54 -2.11 0.00 0.00 174.94 173.56 2qp0 s VAL 7 N -0.40 0.01 -0.01 4.00 0.11 -1.20 -2.43 120.40 120.48 2qp0 s VAL 7 Ca 0.55 -0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 59.40 2qp0 s VAL 7 Cb -0.40 -0.23 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 2qp0 s VAL 7 CO 0.46 -0.05 0.23 0.72 -3.33 0.00 0.00 175.10 173.13 2qp0 s PHE 8 N -0.11 -0.08 -0.15 1.54 -0.12 -0.35 -1.60 117.98 117.10 2qp0 s PHE 8 Ca -0.02 0.10 0.02 0.00 -0.05 0.00 0.00 56.93 56.98 2qp0 s PHE 8 Cb -0.02 0.03 0.01 0.00 -0.63 0.00 0.00 43.02 42.42 2qp0 s PHE 8 CO 0.00 -0.33 -0.21 0.00 -0.05 0.00 0.00 175.22 174.63 2qp0 s MET 9 N -1.30 2.96 0.27 1.99 0.23 -1.21 -0.35 119.30 121.89 2qp0 s MET 9 Ca -0.14 -0.83 -0.00 0.00 -1.03 0.00 0.00 55.69 53.69 2qp0 s MET 9 Cb -0.06 -2.45 -0.04 0.00 -1.53 0.00 0.00 34.83 30.75 2qp0 s MET 9 CO 0.03 -0.09 0.46 0.08 -2.03 0.00 0.00 175.02 173.47 2qp0 s VAL 10 N 1.00 5.16 0.30 5.16 1.01 -0.29 -2.02 120.40 130.72 2qp0 s VAL 10 Ca -0.03 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 2qp0 s VAL 10 Cb -0.15 -3.79 -0.13 0.00 0.00 0.00 0.00 36.38 32.31 2qp0 s VAL 10 CO -0.06 -0.35 1.37 1.57 0.00 0.00 0.00 175.10 177.63 2qp0 n HIS 11 N -1.18 2.31 0.12 5.22 -0.00 0.22 -1.45 115.22 120.45 2qp0 n HIS 11 Ca -0.05 0.48 -0.13 0.00 0.46 0.00 0.00 57.72 58.48 2qp0 n HIS 11 Cb 0.55 -2.45 -0.06 0.00 -0.12 0.00 0.00 29.99 27.91 2qp0 n HIS 11 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2qp0 h PRO 12 N 3.37 -0.44 -1.34 1.57 0.13 -1.89 -2.45 132.00 130.96 2qp0 h PRO 12 Ca -0.46 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2qp0 h PRO 12 Cb 1.27 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2qp0 h PRO 12 CO 0.69 -0.29 0.00 -0.25 -0.23 0.00 0.00 178.00 177.92 2qp0 n ASP 13 N -5.37 2.19 -0.38 1.44 8.00 -1.26 -1.90 116.55 119.27 2qp0 n ASP 13 Ca -0.07 -1.43 0.00 0.00 0.71 0.00 0.00 54.79 54.00 2qp0 n ASP 13 Cb 0.28 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 2qp0 n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qp0 n GLN 14 N 0.70 0.00 0.22 -1.24 6.02 -0.93 -4.93 117.38 117.21 2qp0 n GLN 14 Ca 0.00 -0.32 0.13 0.00 -0.01 0.00 0.00 57.00 56.80 2qp0 n GLN 14 Cb 0.35 -0.18 0.71 0.00 1.02 0.00 0.00 30.24 32.13 2qp0 n GLN 14 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2qp0 h SER 15 N 0.00 0.00 0.14 1.08 4.64 -1.26 -2.15 113.55 116.00 2qp0 h SER 15 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2qp0 h SER 15 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2qp0 h SER 15 CO 0.00 0.00 -0.10 1.05 -0.87 0.00 0.00 176.83 176.91 2qp0 h GLU 16 N 0.00 0.00 0.00 4.77 9.09 -1.91 -1.78 114.58 124.75 2qp0 h GLU 16 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.29 2qp0 h GLU 16 Cb 0.16 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.24 2qp0 h GLU 16 CO 0.00 0.10 -0.59 1.96 0.05 0.00 0.00 179.01 180.53 2qp0 h GLN 17 N 0.00 0.00 -0.95 1.06 4.20 -1.80 -3.34 115.11 114.28 2qp0 h GLN 17 Ca -0.00 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.83 2qp0 h GLN 17 Cb 0.20 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.84 2qp0 h GLN 17 CO 0.01 0.59 -0.44 0.28 -0.67 0.00 0.00 178.83 178.60 2qp0 n VAL 18 N -3.49 -0.56 -0.20 -0.54 0.31 -0.67 0.15 118.33 113.34 2qp0 n VAL 18 Ca 0.00 2.26 -0.08 0.00 -0.01 0.00 0.00 64.34 66.52 2qp0 n VAL 18 Cb 0.68 -2.91 0.02 0.00 -0.91 0.00 0.00 33.84 30.72 2qp0 n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2qp0 h PRO 19 N 0.00 0.86 0.31 5.55 0.13 -1.74 -2.78 132.00 134.33 2qp0 h PRO 19 Ca 0.26 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 2qp0 h PRO 19 Cb 0.50 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 2qp0 h PRO 19 CO -0.93 0.75 -0.17 0.78 -0.23 0.00 0.00 178.00 178.20 2qp0 h GLY 20 N 0.79 -0.47 -0.24 1.56 0.00 -0.87 -2.43 103.07 101.41 2qp0 h GLY 20 Ca 0.19 0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.77 2qp0 h GLY 20 CO -0.01 -0.18 -0.47 -0.33 0.00 0.00 0.00 176.54 175.54 2qp0 h MET 21 N -0.45 -0.40 -0.25 4.80 2.86 -0.24 -2.39 114.93 118.86 2qp0 h MET 21 Ca -0.03 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.69 2qp0 h MET 21 Cb 0.37 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.04 2qp0 h MET 21 CO 0.05 -0.26 -0.40 0.82 1.06 0.00 0.00 176.91 178.17 2qp0 h ILE 22 N -0.41 0.16 -0.35 -1.22 2.04 -1.43 0.01 117.51 116.30 2qp0 h ILE 22 Ca 0.10 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.06 2qp0 h ILE 22 Cb 0.61 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2qp0 h ILE 22 CO -0.53 0.00 0.45 -0.08 0.00 0.00 0.00 178.15 177.99 2qp0 h GLU 23 N -0.40 0.00 0.00 2.37 4.81 -0.96 -0.87 114.58 119.54 2qp0 h GLU 23 Ca 0.11 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 2qp0 h GLU 23 Cb 0.59 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 2qp0 h GLU 23 CO -0.47 0.00 -0.40 0.00 -0.73 0.00 0.00 179.01 177.42 2qp0 h ARG 24 N 0.00 0.00 -0.16 1.92 3.08 -0.57 -3.31 114.38 115.34 2qp0 h ARG 24 Ca 0.17 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.26 2qp0 h ARG 24 Cb 1.07 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.05 2qp0 h ARG 24 CO -0.00 0.53 -0.39 1.88 -1.07 0.00 0.00 179.97 180.92 2qp0 h TYR 25 N -1.00 -1.10 -0.83 3.04 0.99 -0.52 -2.15 116.97 115.39 2qp0 h TYR 25 Ca -0.08 0.05 0.12 0.00 2.00 0.00 0.00 58.73 60.81 2qp0 h TYR 25 Cb 0.70 0.51 -0.13 0.00 1.00 0.00 0.00 36.73 38.81 2qp0 h TYR 25 CO 0.06 -0.45 -0.44 1.79 -0.00 0.00 0.00 178.16 179.12 2qp0 h THR 26 N -0.45 0.04 0.32 -2.88 1.35 -1.37 0.38 112.91 110.30 2qp0 h THR 26 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 2qp0 h THR 26 Cb 0.60 0.04 -0.03 0.00 -1.73 0.00 0.00 68.15 67.03 2qp0 h THR 26 CO -0.40 0.00 -0.42 0.00 -0.25 0.00 0.00 175.52 174.45 2qp0 h ALA 27 N 0.92 -0.86 -0.33 6.62 0.00 -1.52 0.14 119.26 124.23 2qp0 h ALA 27 Ca 0.25 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.10 2qp0 h ALA 27 Cb 0.54 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 2qp0 h ALA 27 CO -0.86 -1.03 -0.08 0.00 0.00 0.00 0.00 179.25 177.28 2qp0 h ALA 28 N -0.41 0.22 0.19 0.00 0.00 -0.69 0.99 119.26 119.57 2qp0 h ALA 28 Ca -0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qp0 h ALA 28 Cb 0.73 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2qp0 h ALA 28 CO -0.12 -0.46 -0.15 0.82 0.00 0.00 0.00 179.25 179.35 2qp0 h ILE 29 N 0.00 0.00 0.11 0.00 2.04 -0.02 -1.11 117.51 118.54 2qp0 h ILE 29 Ca 0.16 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.03 2qp0 h ILE 29 Cb 0.24 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 2qp0 h ILE 29 CO -0.33 0.00 -0.21 0.74 0.00 0.00 0.00 178.15 178.35 2qp0 h THR 30 N -0.33 0.53 -0.91 -0.27 2.02 -0.65 -0.99 112.91 112.33 2qp0 h THR 30 Ca -0.03 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.39 2qp0 h THR 30 Cb 0.27 0.53 -0.13 0.00 -1.74 0.00 0.00 68.15 67.08 2qp0 h THR 30 CO 0.01 0.00 0.38 1.23 0.37 0.00 0.00 175.52 177.50 2qp0 h GLY 31 N -0.39 1.56 -3.61 2.16 0.00 1.00 -0.18 103.07 103.60 2qp0 h GLY 31 Ca 0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 2qp0 h GLY 31 CO -0.11 -0.32 -0.15 0.00 0.00 0.00 0.00 176.54 175.95 2qp0 n ALA 32 N -2.52 4.80 -0.90 3.60 0.00 -0.42 -4.61 120.51 120.45 2qp0 n ALA 32 Ca 0.23 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2qp0 n ALA 32 Cb 0.71 -1.72 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2qp0 n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qp0 n GLU 33 N 2.06 -1.56 0.00 0.00 -0.58 -0.21 -4.67 120.64 115.68 2qp0 n GLU 33 Ca 0.20 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 2qp0 n GLU 33 Cb 0.64 -4.84 0.00 0.00 -0.57 0.00 0.00 31.44 26.67 2qp0 n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qp0 n GLY 34 N 0.31 -0.95 3.65 0.62 0.00 -0.42 -4.89 105.19 103.52 2qp0 n GLY 34 Ca 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 46.02 44.50 2qp0 n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qp0 s LYS 35 N 0.00 0.05 -0.09 1.61 2.20 -1.26 -4.55 119.74 117.70 2qp0 s LYS 35 Ca 0.00 0.04 0.01 0.00 -0.36 0.00 0.00 55.97 55.65 2qp0 s LYS 35 Cb 0.00 0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.32 2qp0 s LYS 35 CO 0.00 -0.01 -0.10 0.42 -0.36 0.00 0.00 175.35 175.30 2qp0 s ILE 36 N -0.44 3.38 -0.02 5.43 1.01 -1.26 -0.89 121.20 128.41 2qp0 s ILE 36 Ca 0.08 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.18 2qp0 s ILE 36 Cb -0.03 -2.39 0.04 0.00 0.01 0.00 0.00 42.46 40.08 2qp0 s ILE 36 CO -0.12 0.56 0.94 1.41 0.00 0.00 0.00 174.94 177.73 2qp0 n HIS 37 N 2.78 0.00 -3.70 3.97 8.25 -0.65 -5.00 115.22 120.87 2qp0 n HIS 37 Ca -0.18 -0.47 0.02 0.00 -0.26 0.00 0.00 57.72 56.83 2qp0 n HIS 37 Cb 0.53 -0.06 -0.00 0.00 1.12 0.00 0.00 29.99 31.58 2qp0 n HIS 37 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2qp0 s ARG 38 N -1.06 0.43 0.00 -0.41 3.52 -1.18 -4.42 118.95 115.83 2qp0 s ARG 38 Ca 0.04 -0.25 0.00 0.00 -0.13 0.00 0.00 55.73 55.39 2qp0 s ARG 38 Cb 0.04 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 2qp0 s ARG 38 CO 0.00 -0.20 0.00 -0.11 -0.81 0.00 0.00 175.30 174.19 2qp0 n LEU 39 N -0.58 0.00 -3.84 -0.88 -0.00 -1.21 -4.51 117.00 105.99 2qp0 n LEU 39 Ca -0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.83 2qp0 n LEU 39 Cb 0.62 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.92 2qp0 n LEU 39 CO 0.13 0.00 -0.22 -1.61 -0.00 0.00 0.00 177.39 175.69 2qp0 s GLU 40 N -0.74 0.19 -0.71 1.96 2.02 -1.26 -4.92 118.70 115.24 2qp0 s GLU 40 Ca 0.00 0.08 0.04 0.00 0.02 0.00 0.00 54.97 55.11 2qp0 s GLU 40 Cb 0.00 0.09 0.29 0.00 0.10 0.00 0.00 34.13 34.61 2qp0 s GLU 40 CO 0.00 -0.03 0.98 -3.47 0.02 0.00 0.00 175.26 172.76 2qp0 n ASP 41 N 2.78 4.60 0.30 -0.19 2.03 -1.26 -0.88 116.55 123.93 2qp0 n ASP 41 Ca -0.14 -3.53 0.10 0.00 0.52 0.00 0.00 54.79 51.74 2qp0 n ASP 41 Cb 0.59 -0.75 0.46 0.00 -0.72 0.00 0.00 41.12 40.69 2qp0 n ASP 41 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 2qp0 h TRP 42 N 3.99 0.00 -1.29 -0.67 4.06 -1.93 -3.46 115.95 116.65 2qp0 h TRP 42 Ca 0.20 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.15 2qp0 h TRP 42 Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 2qp0 h TRP 42 CO 0.84 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 176.13 2qp0 n GLY 43 N -1.37 -0.04 3.63 1.49 0.00 -1.13 -4.54 105.19 103.23 2qp0 n GLY 43 Ca 0.01 -0.83 -0.48 0.00 0.00 0.00 0.00 46.02 44.72 2qp0 n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qp0 n ARG 44 N -0.92 2.01 -4.33 1.61 0.63 -1.26 -2.38 116.66 112.02 2qp0 n ARG 44 Ca 0.00 0.69 -0.17 0.00 -0.92 0.00 0.00 57.85 57.45 2qp0 n ARG 44 Cb 0.00 -2.74 -0.10 0.00 0.45 0.00 0.00 32.46 30.07 2qp0 n ARG 44 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2qp0 s ARG 45 N 4.85 1.31 0.72 -0.14 3.52 -1.22 -4.97 118.95 123.02 2qp0 s ARG 45 Ca 0.97 -1.64 -0.11 0.00 -0.13 0.00 0.00 55.73 54.82 2qp0 s ARG 45 Cb -0.65 -0.71 0.02 0.00 -1.56 0.00 0.00 34.95 32.06 2qp0 s ARG 45 CO 0.48 -0.03 1.08 -1.14 -0.81 0.00 0.00 175.30 174.88 2qp0 s GLN 46 N -3.81 2.75 -0.12 5.12 2.00 -1.26 -2.85 119.66 121.48 2qp0 s GLN 46 Ca 0.26 0.70 0.02 0.00 -2.00 0.00 0.00 55.36 54.33 2qp0 s GLN 46 Cb 0.04 -1.99 0.01 0.00 0.80 0.00 0.00 33.01 31.88 2qp0 s GLN 46 CO 0.07 -1.17 -0.17 -0.51 -0.50 0.00 0.00 175.29 173.02 2qp0 s LEU 47 N -5.52 1.80 0.11 3.68 1.43 -1.08 -4.78 118.68 114.33 2qp0 s LEU 47 Ca 0.58 -0.48 -0.33 0.00 -1.03 0.00 0.00 54.13 52.88 2qp0 s LEU 47 Cb -0.13 -1.18 -0.12 0.00 0.03 0.00 0.00 46.19 44.79 2qp0 s LEU 47 CO 0.54 0.02 1.56 0.00 0.23 0.00 0.00 176.35 178.70 2qp0 h ALA 48 N 7.50 -0.88 -4.12 4.21 0.00 -1.97 -3.41 119.26 120.59 2qp0 h ALA 48 Ca -0.33 -0.08 -0.69 0.00 0.00 0.00 0.00 54.91 53.82 2qp0 h ALA 48 Cb 1.17 0.89 -0.24 0.00 0.00 0.00 0.00 17.79 19.62 2qp0 h ALA 48 CO 0.51 -1.07 -0.84 1.52 0.00 0.00 0.00 179.25 179.37 2qp0 s TYR 49 N -5.79 2.47 -1.04 0.00 1.13 -1.26 -5.05 117.35 107.81 2qp0 s TYR 49 Ca -0.16 -0.32 -0.24 0.00 -1.41 0.00 0.00 57.07 54.95 2qp0 s TYR 49 Cb 0.07 -1.44 -0.07 0.00 -1.10 0.00 0.00 41.96 39.41 2qp0 s TYR 49 CO 0.62 0.19 1.96 -1.25 -2.51 0.00 0.00 175.55 174.56 2qp0 s PRO 50 N -1.30 2.47 -0.82 -3.49 0.04 -1.26 -4.88 135.00 125.76 2qp0 s PRO 50 Ca 0.13 -0.70 -0.25 0.00 0.04 0.00 0.00 61.00 60.22 2qp0 s PRO 50 Cb -0.10 -5.14 -0.10 0.00 0.04 0.00 0.00 34.50 29.20 2qp0 s PRO 50 CO 0.04 -3.75 2.23 -1.50 0.04 0.00 0.00 177.00 174.05 2qp0 s ILE 51 N 10.83 3.18 -0.66 0.56 2.07 -1.26 -3.70 121.20 132.21 2qp0 s ILE 51 Ca 0.70 -0.13 -0.09 0.00 -1.41 0.00 0.00 60.65 59.71 2qp0 s ILE 51 Cb -0.04 -3.40 0.01 0.00 0.13 0.00 0.00 42.46 39.17 2qp0 s ILE 51 CO 0.07 -0.37 0.65 -3.20 -1.91 0.00 0.00 174.94 170.17 2qp0 n ASN 52 N 16.78 -6.55 -1.27 4.50 5.15 -1.26 -4.72 115.26 127.90 2qp0 n ASN 52 Ca 0.44 -0.25 0.17 0.00 -0.60 0.00 0.00 54.58 54.33 2qp0 n ASN 52 Cb 0.45 -3.61 -0.05 0.00 -0.53 0.00 0.00 39.78 36.04 2qp0 n ASN 52 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2qp0 n LYS 53 N -1.50 -2.68 -2.72 1.20 4.76 -1.24 -5.00 118.16 110.97 2qp0 n LYS 53 Ca -0.09 1.90 -0.04 0.00 -2.87 0.00 0.00 58.31 57.21 2qp0 n LYS 53 Cb 0.58 -3.22 -0.03 0.00 -1.84 0.00 0.00 35.03 30.52 2qp0 n LYS 53 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2qp0 n LEU 54 N -3.99 -6.21 -0.88 -0.35 7.99 -1.26 -4.82 117.00 107.47 2qp0 n LEU 54 Ca -0.02 1.87 0.02 0.00 -0.01 0.00 0.00 56.01 57.88 2qp0 n LEU 54 Cb 0.59 -2.99 0.11 0.00 -0.11 0.00 0.00 43.42 41.03 2qp0 n LEU 54 CO 0.02 -3.62 0.43 1.41 -1.51 0.00 0.00 177.39 174.12 2qp0 n HIS 55 N 1.62 0.58 -3.75 -1.77 8.25 -1.26 -4.46 115.22 114.43 2qp0 n HIS 55 Ca -0.26 -0.20 -0.15 0.00 -0.26 0.00 0.00 57.72 56.84 2qp0 n HIS 55 Cb 0.43 -0.21 -0.16 0.00 1.12 0.00 0.00 29.99 31.17 2qp0 n HIS 55 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2qp0 s LYS 56 N -1.50 -0.01 -0.10 -0.41 3.01 -1.26 -2.63 119.74 116.84 2qp0 s LYS 56 Ca 0.15 0.27 -0.01 0.00 -1.01 0.00 0.00 55.97 55.37 2qp0 s LYS 56 Cb 0.12 -0.27 0.03 0.00 -1.01 0.00 0.00 37.83 36.70 2qp0 s LYS 56 CO 0.04 -0.20 -0.00 0.00 0.51 0.00 0.00 175.35 175.71 2qp0 s ALA 57 N 1.30 0.84 -0.67 5.17 0.00 -1.13 -3.76 121.76 123.50 2qp0 s ALA 57 Ca -0.07 -0.29 -0.26 0.00 0.00 0.00 0.00 51.96 51.34 2qp0 s ALA 57 Cb -0.13 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 2qp0 s ALA 57 CO -0.04 -0.59 1.89 -1.58 0.00 0.00 0.00 175.76 175.44 2qp0 s HIS 58 N 1.92 1.68 0.66 0.00 2.46 -0.53 -3.37 115.29 118.10 2qp0 s HIS 58 Ca 0.04 0.77 -0.13 0.00 0.47 0.00 0.00 55.06 56.21 2qp0 s HIS 58 Cb -0.13 -4.07 -0.01 0.00 -0.13 0.00 0.00 32.58 28.24 2qp0 s HIS 58 CO -0.06 -2.20 1.07 0.71 -2.47 0.00 0.00 174.74 171.79 2qp0 s TYR 59 N 9.36 2.95 -0.17 3.88 1.51 -1.00 -1.13 117.35 132.75 2qp0 s TYR 59 Ca 0.68 1.49 -0.12 0.00 -1.01 0.00 0.00 57.07 58.11 2qp0 s TYR 59 Cb -0.11 -2.98 0.05 0.00 -0.11 0.00 0.00 41.96 38.81 2qp0 s TYR 59 CO 0.16 -1.29 0.44 0.08 -1.11 0.00 0.00 175.55 173.83 2qp0 s VAL 60 N -2.72 -0.01 0.00 0.71 1.01 0.53 -2.84 120.40 117.08 2qp0 s VAL 60 Ca 0.61 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.64 2qp0 s VAL 60 Cb -0.16 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.59 2qp0 s VAL 60 CO 0.46 0.02 0.00 -0.11 0.00 0.00 0.00 175.10 175.47 2qp0 n LEU 61 N 3.65 0.00 0.00 3.92 -0.00 -0.05 -1.22 117.00 123.30 2qp0 n LEU 61 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 2qp0 n LEU 61 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2qp0 n LEU 61 CO 0.09 -0.03 0.00 0.80 -0.00 0.00 0.00 177.39 178.25 2qp0 n MET 62 N -0.06 0.00 -2.38 1.96 0.00 -1.02 -4.53 117.12 111.09 2qp0 n MET 62 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.70 57.68 2qp0 n MET 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2qp0 n MET 62 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2qp0 n ASN 63 N -0.03 -6.16 0.00 6.12 4.13 -1.19 -3.34 115.26 114.79 2qp0 n ASN 63 Ca 0.00 0.74 0.00 0.00 1.68 0.00 0.00 54.58 57.00 2qp0 n ASN 63 Cb 0.00 -4.02 0.00 0.00 -1.54 0.00 0.00 39.78 34.22 2qp0 n ASN 63 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 2qp0 n VAL 64 N 0.14 0.00 -1.99 2.41 0.24 -0.95 -1.64 118.33 116.53 2qp0 n VAL 64 Ca 0.03 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.31 2qp0 n VAL 64 Cb 0.13 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.50 2qp0 n VAL 64 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2qp0 n GLU 65 N 0.00 0.19 -2.25 7.34 2.13 -0.07 -3.61 120.64 124.38 2qp0 n GLU 65 Ca 0.00 -0.47 -0.28 0.00 0.66 0.00 0.00 57.16 57.08 2qp0 n GLU 65 Cb 0.00 0.40 0.03 0.00 0.27 0.00 0.00 31.44 32.14 2qp0 n GLU 65 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qp0 s ALA 66 N 0.02 3.18 0.61 4.31 0.00 -1.25 -4.41 121.76 124.22 2qp0 s ALA 66 Ca 0.01 -0.58 -0.18 0.00 0.00 0.00 0.00 51.96 51.21 2qp0 s ALA 66 Cb 0.06 -2.73 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 2qp0 s ALA 66 CO -0.02 -0.88 1.22 -1.25 0.00 0.00 0.00 175.76 174.83 2qp0 s PRO 67 N -5.09 2.85 0.43 0.00 0.04 -1.26 -4.32 135.00 127.64 2qp0 s PRO 67 Ca 0.55 1.86 0.26 0.00 0.04 0.00 0.00 61.00 63.71 2qp0 s PRO 67 Cb -0.11 -1.91 1.32 0.00 0.04 0.00 0.00 34.50 33.84 2qp0 s PRO 67 CO 0.47 -1.31 1.67 -0.56 0.04 0.00 0.00 177.00 177.32 2qp0 h GLN 68 N 0.75 0.18 0.00 4.56 3.07 -1.96 -2.84 115.11 118.87 2qp0 h GLN 68 Ca -0.50 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.23 2qp0 h GLN 68 Cb 1.30 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.82 2qp0 h GLN 68 CO 0.54 0.12 0.00 -1.91 0.09 0.00 0.00 178.83 177.67 2qp0 n GLU 69 N -4.67 0.00 -0.22 0.06 2.13 -1.26 -0.11 120.64 116.58 2qp0 n GLU 69 Ca 0.33 0.48 -0.04 0.00 0.66 0.00 0.00 57.16 58.59 2qp0 n GLU 69 Cb 1.24 -1.14 0.02 0.00 0.27 0.00 0.00 31.44 31.83 2qp0 n GLU 69 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2qp0 h VAL 70 N 0.00 0.18 -0.21 6.31 -1.51 -1.88 0.24 116.25 119.38 2qp0 h VAL 70 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2qp0 h VAL 70 Cb 0.00 0.18 -0.01 0.00 -2.13 0.00 0.00 31.29 29.33 2qp0 h VAL 70 CO 0.00 0.00 0.14 0.16 -1.23 0.00 0.00 177.57 176.64 2qp0 h ILE 71 N -0.13 1.05 0.26 7.19 -0.00 -1.54 0.88 117.51 125.22 2qp0 h ILE 71 Ca 0.25 -0.09 -0.01 0.00 -0.00 0.00 0.00 64.86 65.00 2qp0 h ILE 71 Cb 0.55 0.75 0.00 0.00 -0.00 0.00 0.00 36.82 38.12 2qp0 h ILE 71 CO -0.70 0.05 -0.13 -0.78 -0.00 0.00 0.00 178.15 176.59 2qp0 h ASP 72 N 0.28 -0.30 -0.90 2.16 3.58 0.28 0.57 116.42 122.08 2qp0 h ASP 72 Ca 0.08 0.01 0.23 0.00 0.42 0.00 0.00 57.03 57.76 2qp0 h ASP 72 Cb -0.01 0.08 -0.13 0.00 1.72 0.00 0.00 39.33 40.99 2qp0 h ASP 72 CO -0.02 -0.18 0.40 1.05 -2.88 0.00 0.00 179.24 177.61 2qp0 h GLU 73 N -0.41 0.38 -0.29 0.28 9.09 -1.10 0.22 114.58 122.75 2qp0 h GLU 73 Ca -0.04 -0.02 0.05 0.00 0.05 0.00 0.00 59.36 59.41 2qp0 h GLU 73 Cb 0.27 -0.09 -0.05 0.00 -1.65 0.00 0.00 28.75 27.23 2qp0 h GLU 73 CO 0.06 0.25 -0.04 1.25 0.05 0.00 0.00 179.01 180.58 2qp0 h LEU 74 N 0.39 -0.20 -0.55 3.06 5.85 -0.70 -2.97 115.31 120.18 2qp0 h LEU 74 Ca 0.57 0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.42 2qp0 h LEU 74 Cb 1.09 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 42.19 2qp0 h LEU 74 CO -0.54 -0.07 -0.54 -0.33 -0.34 0.00 0.00 178.44 176.63 2qp0 h GLU 75 N 0.03 -0.26 -0.88 1.25 5.08 0.18 -1.09 114.58 118.89 2qp0 h GLU 75 Ca 0.14 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.68 2qp0 h GLU 75 Cb 0.20 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.41 2qp0 h GLU 75 CO -0.27 -0.17 0.47 1.79 -1.00 0.00 0.00 179.01 179.82 2qp0 h THR 76 N -0.27 0.70 -0.88 1.13 1.35 -1.44 -0.83 112.91 112.68 2qp0 h THR 76 Ca 0.09 -0.22 0.15 0.00 -0.55 0.00 0.00 66.41 65.88 2qp0 h THR 76 Cb 0.52 0.01 -0.09 0.00 -1.73 0.00 0.00 68.15 66.86 2qp0 h THR 76 CO -0.66 0.12 0.48 0.71 -0.25 0.00 0.00 175.52 175.91 2qp0 h THR 77 N 0.63 0.75 -0.28 6.82 1.35 -1.07 0.29 112.91 121.40 2qp0 h THR 77 Ca 0.49 -0.23 0.08 0.00 -0.55 0.00 0.00 66.41 66.20 2qp0 h THR 77 Cb 0.73 0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.15 2qp0 h THR 77 CO -0.38 0.12 0.41 -0.26 -0.25 0.00 0.00 175.52 175.16 2qp0 h PHE 78 N 0.68 0.00 0.00 4.73 0.05 -0.91 0.47 116.94 121.96 2qp0 h PHE 78 Ca 0.48 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 62.22 2qp0 h PHE 78 Cb 0.66 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.60 2qp0 h PHE 78 CO -0.07 0.00 -1.06 0.00 -0.18 0.00 0.00 178.31 177.00 2qp0 h ARG 79 N 0.00 0.00 0.00 1.51 2.47 -0.50 -3.35 114.38 114.51 2qp0 h ARG 79 Ca 0.13 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.72 2qp0 h ARG 79 Cb 0.95 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.25 2qp0 h ARG 79 CO -0.00 0.10 -1.59 1.19 0.56 0.00 0.00 179.97 180.23 2qp0 n PHE 80 N -2.78 0.65 -2.52 3.04 3.72 0.13 -4.58 117.46 115.13 2qp0 n PHE 80 Ca -0.03 0.21 -0.43 0.00 -0.05 0.00 0.00 57.45 57.15 2qp0 n PHE 80 Cb 0.64 -0.93 0.00 0.00 -0.94 0.00 0.00 39.48 38.25 2qp0 n PHE 80 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2qp0 n ASN 81 N -2.70 4.85 -0.69 4.37 2.85 0.72 -4.80 115.26 119.86 2qp0 n ASN 81 Ca -0.10 -2.94 0.53 0.00 -0.11 0.00 0.00 54.58 51.96 2qp0 n ASN 81 Cb 0.78 -1.67 0.82 0.00 1.24 0.00 0.00 39.78 40.94 2qp0 n ASN 81 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2qp0 h ASP 82 N 7.08 0.00 -0.96 1.20 5.19 -1.85 0.35 116.42 127.43 2qp0 h ASP 82 Ca 0.43 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.96 2qp0 h ASP 82 Cb 0.82 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.24 2qp0 h ASP 82 CO 1.49 -0.00 0.59 0.00 -3.12 0.00 0.00 179.24 178.19 2qp0 h ALA 83 N 1.04 1.44 -2.77 3.45 0.00 -1.94 -3.41 119.26 117.07 2qp0 h ALA 83 Ca 0.92 0.03 -0.63 0.00 0.00 0.00 0.00 54.91 55.23 2qp0 h ALA 83 Cb 3.70 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 21.24 2qp0 h ALA 83 CO -0.02 0.18 -0.36 0.54 0.00 0.00 0.00 179.25 179.59 2qp0 s VAL 84 N -5.97 5.31 0.00 0.00 0.11 0.12 0.71 120.40 120.68 2qp0 s VAL 84 Ca -0.12 0.48 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 2qp0 s VAL 84 Cb 0.22 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.52 2qp0 s VAL 84 CO 0.80 0.56 0.00 2.30 -3.33 0.00 0.00 175.10 175.43 2qp0 n ILE 85 N 2.30 0.00 -1.57 7.04 -5.35 -0.86 -4.85 119.36 116.08 2qp0 n ILE 85 Ca -0.16 0.00 -0.58 0.00 -0.27 0.00 0.00 62.75 61.73 2qp0 n ILE 85 Cb 0.53 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.36 2qp0 n ILE 85 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2qp0 n ARG 86 N 0.00 0.36 -3.83 6.28 0.00 -1.26 -4.78 116.66 113.43 2qp0 n ARG 86 Ca 0.00 0.13 -0.21 0.00 -0.00 0.00 0.00 57.85 57.77 2qp0 n ARG 86 Cb 0.00 -1.68 -0.17 0.00 0.00 0.00 0.00 32.46 30.61 2qp0 n ARG 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2qp0 s SER 87 N 0.71 1.30 0.57 6.15 0.15 -1.26 -3.34 113.70 117.97 2qp0 s SER 87 Ca 0.92 -0.06 0.09 0.00 0.70 0.00 0.00 55.95 57.59 2qp0 s SER 87 Cb -1.21 -0.38 0.08 0.00 -1.71 0.00 0.00 66.02 62.81 2qp0 s SER 87 CO 0.58 -0.17 0.79 -0.32 1.20 0.00 0.00 173.24 175.32 2qp0 s MET 88 N 1.73 2.31 -0.31 5.44 1.75 -0.63 -5.02 119.30 124.57 2qp0 s MET 88 Ca 0.01 -1.57 -0.03 0.00 -1.25 0.00 0.00 55.69 52.85 2qp0 s MET 88 Cb -0.13 -2.64 0.19 0.00 2.84 0.00 0.00 34.83 35.10 2qp0 s MET 88 CO -0.04 -0.85 0.85 0.54 -0.65 0.00 0.00 175.02 174.87 2qp0 s VAL 89 N -2.67 -0.58 0.69 10.11 0.11 -1.26 -3.22 120.40 123.57 2qp0 s VAL 89 Ca 0.62 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.55 2qp0 s VAL 89 Cb -0.06 -0.41 0.17 0.00 -1.53 0.00 0.00 36.38 34.54 2qp0 s VAL 89 CO 0.39 0.00 0.73 0.23 -3.33 0.00 0.00 175.10 173.12 2qp0 n MET 90 N 4.89 -1.66 -0.39 1.54 2.81 -1.17 -4.90 117.12 118.24 2qp0 n MET 90 Ca 0.08 -1.15 0.00 0.00 -1.81 0.00 0.00 57.70 54.82 2qp0 n MET 90 Cb 0.57 -0.93 0.00 0.00 -0.71 0.00 0.00 33.22 32.15 2qp0 n MET 90 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2qp0 n ARG 91 N -3.19 2.77 0.00 0.03 1.85 -1.26 -3.39 116.66 113.47 2qp0 n ARG 91 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 2qp0 n ARG 91 Cb 0.36 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.77 2qp0 n ARG 91 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2qp0 n THR 92 N -0.19 0.00 -0.89 8.89 -1.04 0.45 -3.24 114.28 118.26 2qp0 n THR 92 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2qp0 n THR 92 Cb 0.00 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.85 2qp0 n THR 92 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2qp0 n LYS 93 N 0.00 -0.18 -0.17 -2.82 5.02 -1.26 -4.58 118.16 114.17 2qp0 n LYS 93 Ca 0.00 0.04 0.02 0.00 -2.02 0.00 0.00 58.31 56.36 2qp0 n LYS 93 Cb 0.00 -3.27 -0.01 0.00 -0.02 0.00 0.00 35.03 31.73 2qp0 n LYS 93 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qp0 n HIS 94 N -2.19 -0.45 -1.08 2.13 8.25 -1.26 -4.96 115.22 115.66 2qp0 n HIS 94 Ca 0.00 0.24 -0.36 0.00 -0.26 0.00 0.00 57.72 57.34 2qp0 n HIS 94 Cb 0.04 -0.41 0.05 0.00 1.12 0.00 0.00 29.99 30.80 2qp0 n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qp0 n ALA 95 N -2.46 -3.82 -4.03 -1.41 0.00 -1.26 -4.98 120.51 102.55 2qp0 n ALA 95 Ca -0.01 -0.44 -0.16 0.00 0.00 0.00 0.00 53.44 52.83 2qp0 n ALA 95 Cb 0.08 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.06 2qp0 n ALA 95 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qp0 n VAL 96 N -2.38 0.00 -3.70 0.00 0.31 -1.26 -5.18 118.33 106.13 2qp0 n VAL 96 Ca 0.04 -1.88 -0.04 0.00 -0.01 0.00 0.00 64.34 62.45 2qp0 n VAL 96 Cb 0.52 1.05 0.02 0.00 -0.91 0.00 0.00 33.84 34.53 2qp0 n VAL 96 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2qp0 n THR 97 N -0.55 0.00 0.00 2.52 -2.24 -1.26 -4.46 114.28 108.28 2qp0 n THR 97 Ca 0.03 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2qp0 n THR 97 Cb 0.55 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 2qp0 n THR 97 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2qp0 n GLU 98 N -0.48 0.00 0.00 -0.78 0.00 -1.26 -4.86 120.64 113.26 2qp0 n GLU 98 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.12 2qp0 n GLU 98 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.87 2qp0 n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qp0 n ALA 99 N 4.17 0.00 -0.81 -1.84 0.00 -1.26 -4.97 120.51 115.81 2qp0 n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qp0 n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qp0 n ALA 99 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95