#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal s ARG 2 N 0.00 4.46 0.48 0.03 3.52 -1.24 -4.70 118.95 121.50 2qal s ARG 2 Ca 0.00 1.83 -0.18 0.00 -0.13 0.00 0.00 55.73 57.25 2qal s ARG 2 Cb 0.00 -3.29 -0.09 0.00 -1.56 0.00 0.00 34.95 30.01 2qal s ARG 2 CO 0.00 -0.19 0.96 -1.01 -0.81 0.00 0.00 175.30 174.26 2qal s HIS 3 N 0.57 3.41 -0.18 5.12 3.76 -1.26 -3.39 115.29 123.32 2qal s HIS 3 Ca 0.56 1.50 -0.04 0.00 -0.15 0.00 0.00 55.06 56.93 2qal s HIS 3 Cb -0.31 -2.80 0.09 0.00 1.11 0.00 0.00 32.58 30.67 2qal s HIS 3 CO 0.32 -0.27 0.30 0.71 -0.85 0.00 0.00 174.74 174.95 2qal s TYR 4 N -2.47 -0.52 -0.94 1.40 2.02 -0.86 -0.68 117.35 115.31 2qal s TYR 4 Ca 0.60 0.82 -0.20 0.00 -0.37 0.00 0.00 57.07 57.92 2qal s TYR 4 Cb -0.10 -0.07 0.11 0.00 -0.40 0.00 0.00 41.96 41.51 2qal s TYR 4 CO 0.25 -0.51 1.20 -2.00 -1.57 0.00 0.00 175.55 172.92 2qal s GLU 5 N 2.45 3.57 -0.03 -0.62 2.12 -1.22 -1.91 118.70 123.05 2qal s GLU 5 Ca 0.05 -1.55 -0.16 0.00 0.36 0.00 0.00 54.97 53.67 2qal s GLU 5 Cb -0.14 -4.98 -0.05 0.00 0.26 0.00 0.00 34.13 29.22 2qal s GLU 5 CO -0.11 -1.88 0.44 -1.50 -0.54 0.00 0.00 175.26 171.66 2qal s ILE 6 N 3.33 5.06 -0.31 -3.70 1.10 -1.26 -1.94 121.20 123.48 2qal s ILE 6 Ca 0.35 0.90 -0.02 0.00 -0.51 0.00 0.00 60.65 61.37 2qal s ILE 6 Cb -0.04 -3.76 0.10 0.00 0.15 0.00 0.00 42.46 38.91 2qal s ILE 6 CO -0.08 0.49 0.13 0.54 -2.11 0.00 0.00 174.94 173.91 2qal s VAL 7 N -0.50 0.28 -0.14 4.00 0.11 -0.95 -1.23 120.40 121.97 2qal s VAL 7 Ca 0.25 -1.10 -0.03 0.00 -2.93 0.00 0.00 61.98 58.16 2qal s VAL 7 Cb -0.16 -1.23 -0.03 0.00 -1.53 0.00 0.00 36.38 33.42 2qal s VAL 7 CO 0.13 -0.74 -0.03 0.72 -3.33 0.00 0.00 175.10 171.84 2qal s PHE 8 N 1.80 3.05 -0.15 1.54 -0.12 -0.93 -3.43 117.98 119.74 2qal s PHE 8 Ca 0.10 -0.16 -0.03 0.00 -0.05 0.00 0.00 56.93 56.79 2qal s PHE 8 Cb -0.17 -1.92 -0.03 0.00 -0.63 0.00 0.00 43.02 40.27 2qal s PHE 8 CO -0.29 0.09 -0.05 0.00 -0.05 0.00 0.00 175.22 174.93 2qal s MET 9 N 0.06 3.61 0.36 1.99 0.23 -1.20 -1.62 119.30 122.72 2qal s MET 9 Ca 0.01 -0.54 0.07 0.00 -1.03 0.00 0.00 55.69 54.19 2qal s MET 9 Cb -0.13 -2.86 -0.01 0.00 -1.53 0.00 0.00 34.83 30.29 2qal s MET 9 CO 0.02 0.25 0.46 0.08 -2.03 0.00 0.00 175.02 173.81 2qal s VAL 10 N 0.32 3.71 0.34 5.16 1.01 0.19 -2.10 120.40 129.04 2qal s VAL 10 Ca -0.05 -1.06 -0.29 0.00 0.00 0.00 0.00 61.98 60.59 2qal s VAL 10 Cb -0.14 -3.28 -0.11 0.00 0.00 0.00 0.00 36.38 32.85 2qal s VAL 10 CO 0.03 -0.12 1.44 -2.28 0.00 0.00 0.00 175.10 174.18 2qal s HIS 11 N -2.24 2.78 0.13 5.22 2.46 0.78 -1.23 115.29 123.19 2qal s HIS 11 Ca 0.47 1.18 -0.21 0.00 0.47 0.00 0.00 55.06 56.97 2qal s HIS 11 Cb -0.09 -3.91 -0.03 0.00 -0.13 0.00 0.00 32.58 28.42 2qal s HIS 11 CO 0.31 -2.71 1.68 -1.00 -2.47 0.00 0.00 174.74 170.55 2qal h PRO 12 N 3.51 -0.11 -1.14 2.88 0.13 -1.90 -1.89 132.00 133.48 2qal h PRO 12 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2qal h PRO 12 Cb 1.23 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2qal h PRO 12 CO 0.67 -0.07 0.00 -0.25 -0.23 0.00 0.00 178.00 178.12 2qal n ASP 13 N -5.25 1.82 0.00 1.44 9.92 -1.26 -1.71 116.55 121.51 2qal n ASP 13 Ca -0.03 -1.45 0.00 0.00 -0.53 0.00 0.00 54.79 52.78 2qal n ASP 13 Cb 0.17 -0.36 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 2qal n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qal n GLN 14 N 0.52 0.12 -0.44 -1.24 1.13 -0.72 -4.89 117.38 111.86 2qal n GLN 14 Ca 0.00 -0.34 0.37 0.00 -1.94 0.00 0.00 57.00 55.09 2qal n GLN 14 Cb 0.32 -0.56 0.65 0.00 0.11 0.00 0.00 30.24 30.75 2qal n GLN 14 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2qal h SER 15 N 0.00 0.25 0.05 1.08 0.02 -1.30 0.57 113.55 114.21 2qal h SER 15 Ca 0.00 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2qal h SER 15 Cb 0.68 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.35 2qal h SER 15 CO 0.00 -0.19 0.00 1.05 -1.14 0.00 0.00 176.83 176.55 2qal h GLU 16 N 0.09 0.00 0.09 3.45 9.09 -1.90 -1.24 114.58 124.16 2qal h GLU 16 Ca 0.82 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.95 2qal h GLU 16 Cb 2.56 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 29.65 2qal h GLU 16 CO -0.43 0.00 -1.38 1.96 0.05 0.00 0.00 179.01 179.21 2qal h GLN 17 N 0.00 0.19 -0.82 1.06 4.20 -0.26 -3.37 115.11 116.11 2qal h GLN 17 Ca 0.00 -0.33 0.14 0.00 0.06 0.00 0.00 58.65 58.52 2qal h GLN 17 Cb 0.02 0.12 -0.14 0.00 0.30 0.00 0.00 27.48 27.78 2qal h GLN 17 CO 0.00 1.07 -0.28 0.28 -0.67 0.00 0.00 178.83 179.24 2qal n VAL 18 N -3.42 -0.40 -0.25 -0.54 0.31 -0.47 0.55 118.33 114.11 2qal n VAL 18 Ca -0.12 1.92 -0.05 0.00 -0.01 0.00 0.00 64.34 66.08 2qal n VAL 18 Cb 1.02 -2.58 0.05 0.00 -0.91 0.00 0.00 33.84 31.43 2qal n VAL 18 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2qal h PRO 19 N 0.00 0.93 0.12 5.55 0.13 -1.73 -2.18 132.00 134.83 2qal h PRO 19 Ca 0.33 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.38 2qal h PRO 19 Cb 0.54 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.46 2qal h PRO 19 CO -0.83 0.64 -0.06 0.78 -0.23 0.00 0.00 178.00 178.30 2qal h GLY 20 N 0.95 -0.17 -0.03 1.56 0.00 -0.10 -2.29 103.07 102.99 2qal h GLY 20 Ca 0.25 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.69 2qal h GLY 20 CO -0.05 -0.06 -0.42 -0.33 0.00 0.00 0.00 176.54 175.68 2qal h MET 21 N -0.32 -0.44 -0.01 4.80 2.86 -0.73 -1.93 114.93 119.15 2qal h MET 21 Ca -0.02 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 2qal h MET 21 Cb 0.26 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.96 2qal h MET 21 CO 0.03 -0.30 -0.44 0.82 1.06 0.00 0.00 176.91 178.08 2qal h ILE 22 N -0.46 0.12 -0.80 -1.22 2.04 -1.38 -0.85 117.51 114.97 2qal h ILE 22 Ca 0.09 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.15 2qal h ILE 22 Cb 0.62 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2qal h ILE 22 CO -0.42 0.00 0.55 -0.08 0.00 0.00 0.00 178.15 178.19 2qal h GLU 23 N -0.59 0.19 0.19 2.37 4.81 -1.12 -0.81 114.58 119.61 2qal h GLU 23 Ca 0.04 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2qal h GLU 23 Cb 0.67 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2qal h GLU 23 CO -0.33 0.13 -0.09 0.00 -0.73 0.00 0.00 179.01 177.98 2qal h ARG 24 N 0.20 -0.25 -0.05 1.92 3.08 -0.53 -2.97 114.38 115.78 2qal h ARG 24 Ca 0.39 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.48 2qal h ARG 24 Cb 1.25 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.30 2qal h ARG 24 CO -0.08 0.01 -0.44 1.88 -1.07 0.00 0.00 179.97 180.28 2qal h TYR 25 N -1.01 -1.30 -0.80 3.04 0.99 -0.75 0.25 116.97 117.40 2qal h TYR 25 Ca -0.03 0.04 0.15 0.00 2.00 0.00 0.00 58.73 60.90 2qal h TYR 25 Cb 0.37 0.57 -0.15 0.00 1.00 0.00 0.00 36.73 38.53 2qal h TYR 25 CO 0.05 -0.46 -0.28 1.79 -0.00 0.00 0.00 178.16 179.26 2qal h THR 26 N -0.51 0.14 0.09 -2.88 1.35 -1.32 0.12 112.91 109.90 2qal h THR 26 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.87 2qal h THR 26 Cb 0.57 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 2qal h THR 26 CO -0.32 0.00 -0.04 0.00 -0.25 0.00 0.00 175.52 174.91 2qal h ALA 27 N 1.52 -0.12 -0.68 6.62 0.00 -1.20 -1.49 119.26 123.91 2qal h ALA 27 Ca 0.34 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.33 2qal h ALA 27 Cb 0.59 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 2qal h ALA 27 CO -0.83 -0.54 0.22 0.00 0.00 0.00 0.00 179.25 178.10 2qal h ALA 28 N 0.73 0.89 0.48 0.00 0.00 0.13 0.47 119.26 121.96 2qal h ALA 28 Ca -0.01 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2qal h ALA 28 Cb 0.14 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qal h ALA 28 CO 0.02 -0.25 -0.23 0.82 0.00 0.00 0.00 179.25 179.61 2qal h ILE 29 N 0.36 0.52 -0.80 0.00 2.04 -0.62 -3.01 117.51 115.99 2qal h ILE 29 Ca 0.37 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 66.12 2qal h ILE 29 Cb 0.55 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 2qal h ILE 29 CO -0.40 0.03 0.50 0.74 0.00 0.00 0.00 178.15 179.01 2qal h THR 30 N -0.74 1.05 -0.97 -0.27 2.02 -0.68 0.15 112.91 113.47 2qal h THR 30 Ca -0.07 -0.32 0.24 0.00 0.77 0.00 0.00 66.41 67.04 2qal h THR 30 Cb 0.54 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 66.93 2qal h THR 30 CO 0.11 0.17 0.65 1.23 0.37 0.00 0.00 175.52 178.04 2qal h GLY 31 N 0.93 0.80 -3.82 2.16 0.00 0.06 0.30 103.07 103.50 2qal h GLY 31 Ca 0.34 -0.16 -0.54 0.00 0.00 0.00 0.00 47.33 46.98 2qal h GLY 31 CO -0.15 -0.05 0.70 0.00 0.00 0.00 0.00 176.54 177.04 2qal n ALA 32 N -2.55 5.76 -2.14 3.60 0.00 -0.62 -4.82 120.51 119.74 2qal n ALA 32 Ca 0.22 -2.84 -0.18 0.00 0.00 0.00 0.00 53.44 50.63 2qal n ALA 32 Cb 0.83 -1.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 2qal n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qal n GLU 33 N -0.69 -1.39 -0.70 0.00 -0.58 0.10 -4.78 120.64 112.61 2qal n GLU 33 Ca 0.53 0.94 -0.22 0.00 -0.42 0.00 0.00 57.16 57.99 2qal n GLU 33 Cb 0.91 -5.38 0.19 0.00 -0.57 0.00 0.00 31.44 26.59 2qal n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qal n GLY 34 N -0.96 -2.81 3.16 0.62 0.00 0.42 -4.91 105.19 100.71 2qal n GLY 34 Ca -0.21 -1.46 0.03 0.00 0.00 0.00 0.00 46.02 44.39 2qal n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qal s LYS 35 N -4.78 0.60 -0.01 1.61 2.20 -1.21 -4.63 119.74 113.53 2qal s LYS 35 Ca 0.51 0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 56.24 2qal s LYS 35 Cb -0.05 0.22 -0.03 0.00 -1.51 0.00 0.00 37.83 36.45 2qal s LYS 35 CO 0.40 -1.07 1.05 0.42 -0.36 0.00 0.00 175.35 175.79 2qal s ILE 36 N 2.67 4.62 -0.91 5.43 1.01 -1.26 -1.16 121.20 131.60 2qal s ILE 36 Ca 0.11 1.89 0.08 0.00 0.00 0.00 0.00 60.65 62.72 2qal s ILE 36 Cb -0.09 -4.21 0.09 0.00 0.01 0.00 0.00 42.46 38.26 2qal s ILE 36 CO -0.23 0.11 0.82 1.41 0.00 0.00 0.00 174.94 177.05 2qal n HIS 37 N 4.20 0.05 -3.66 3.97 8.25 -1.06 -4.99 115.22 121.99 2qal n HIS 37 Ca 0.08 -0.08 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 2qal n HIS 37 Cb 0.49 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 2qal n HIS 37 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2qal s ARG 38 N -0.71 1.09 -0.30 -0.41 3.52 -1.22 -4.53 118.95 116.40 2qal s ARG 38 Ca 0.10 -0.54 -0.17 0.00 -0.13 0.00 0.00 55.73 54.99 2qal s ARG 38 Cb 0.07 0.41 0.19 0.00 -1.56 0.00 0.00 34.95 34.06 2qal s ARG 38 CO 0.10 -0.49 1.20 -1.17 -0.81 0.00 0.00 175.30 174.12 2qal s LEU 39 N -2.78 -0.19 -0.06 -0.88 1.98 -1.24 -4.53 118.68 110.98 2qal s LEU 39 Ca 0.09 0.28 -0.03 0.00 -2.89 0.00 0.00 54.13 51.58 2qal s LEU 39 Cb -0.01 1.24 0.03 0.00 0.66 0.00 0.00 46.19 48.11 2qal s LEU 39 CO -0.02 -0.04 0.13 -1.61 -1.89 0.00 0.00 176.35 172.92 2qal s GLU 40 N 1.60 0.09 -0.81 1.98 2.02 -1.26 -4.98 118.70 117.34 2qal s GLU 40 Ca -0.05 0.32 -0.04 0.00 0.02 0.00 0.00 54.97 55.22 2qal s GLU 40 Cb -0.02 -0.13 0.20 0.00 0.10 0.00 0.00 34.13 34.28 2qal s GLU 40 CO -0.14 -0.13 0.69 0.34 0.02 0.00 0.00 175.26 176.04 2qal s ASP 41 N 0.93 5.90 0.00 -0.19 3.68 -1.26 -0.19 116.67 125.54 2qal s ASP 41 Ca -0.07 -3.34 0.09 0.00 2.13 0.00 0.00 52.55 51.35 2qal s ASP 41 Cb -0.09 -1.94 0.43 0.00 -1.45 0.00 0.00 42.92 39.87 2qal s ASP 41 CO -0.04 -0.28 1.20 0.79 0.13 0.00 0.00 175.17 176.96 2qal n TRP 42 N 2.87 0.00 -2.58 -5.34 8.01 -1.15 -4.94 117.44 114.31 2qal n TRP 42 Ca 0.17 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.36 2qal n TRP 42 Cb 0.38 -0.35 0.00 0.00 -2.01 0.00 0.00 31.31 29.33 2qal n TRP 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qal n GLY 43 N -0.55 0.82 3.51 6.99 0.00 -1.11 -4.69 105.19 110.17 2qal n GLY 43 Ca 0.04 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 2qal n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qal n ARG 44 N 0.00 -0.25 -3.64 1.61 0.63 -1.26 -1.60 116.66 112.15 2qal n ARG 44 Ca 0.00 -0.02 -0.04 0.00 -0.92 0.00 0.00 57.85 56.87 2qal n ARG 44 Cb 0.00 -2.05 -0.06 0.00 0.45 0.00 0.00 32.46 30.80 2qal n ARG 44 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2qal s ARG 45 N -3.88 0.14 0.96 -0.14 3.52 -0.23 -4.82 118.95 114.50 2qal s ARG 45 Ca 0.62 0.12 -0.11 0.00 -0.13 0.00 0.00 55.73 56.23 2qal s ARG 45 Cb -0.23 0.07 0.15 0.00 -1.56 0.00 0.00 34.95 33.38 2qal s ARG 45 CO 0.63 -0.03 1.01 0.94 -0.81 0.00 0.00 175.30 177.04 2qal n GLN 46 N 1.33 -0.73 -4.98 5.12 -0.06 -1.26 -1.68 117.38 115.12 2qal n GLN 46 Ca -0.08 -0.16 -0.28 0.00 -2.00 0.00 0.00 57.00 54.48 2qal n GLN 46 Cb 0.57 -2.27 -0.15 0.00 -4.06 0.00 0.00 30.24 24.33 2qal n GLN 46 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2qal s LEU 47 N -5.87 2.10 0.10 1.69 1.43 -0.95 -4.72 118.68 112.46 2qal s LEU 47 Ca 0.66 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 53.06 2qal s LEU 47 Cb -0.23 -1.16 -0.13 0.00 0.03 0.00 0.00 46.19 44.71 2qal s LEU 47 CO 0.60 0.25 1.74 0.00 0.23 0.00 0.00 176.35 179.17 2qal h ALA 48 N 5.25 0.04 -2.85 4.21 0.00 -1.95 -3.44 119.26 120.51 2qal h ALA 48 Ca -0.42 0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.18 2qal h ALA 48 Cb 1.14 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.75 2qal h ALA 48 CO 0.46 -0.47 -0.73 1.52 0.00 0.00 0.00 179.25 180.02 2qal s TYR 49 N -6.19 0.97 -0.72 0.00 1.13 -1.26 -5.05 117.35 106.23 2qal s TYR 49 Ca -0.13 -0.63 -0.23 0.00 -1.41 0.00 0.00 57.07 54.68 2qal s TYR 49 Cb 0.07 -0.55 -0.17 0.00 -1.10 0.00 0.00 41.96 40.21 2qal s TYR 49 CO 0.67 -0.03 1.90 -0.35 -2.51 0.00 0.00 175.55 175.23 2qal n PRO 50 N 0.78 1.39 -1.87 -3.49 -0.04 -1.26 -4.91 135.00 125.59 2qal n PRO 50 Ca -0.18 -1.79 -0.42 0.00 -0.04 0.00 0.00 63.50 61.07 2qal n PRO 50 Cb 0.57 -2.90 -0.03 0.00 -0.04 0.00 0.00 33.50 31.10 2qal n PRO 50 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2qal s ILE 51 N 5.25 3.24 -1.49 0.52 2.07 -1.26 -2.07 121.20 127.47 2qal s ILE 51 Ca 0.58 0.42 -0.10 0.00 -1.41 0.00 0.00 60.65 60.14 2qal s ILE 51 Cb 0.14 -3.27 0.07 0.00 0.13 0.00 0.00 42.46 39.53 2qal s ILE 51 CO 0.14 -0.03 0.86 -3.20 -1.91 0.00 0.00 174.94 170.80 2qal n ASN 52 N 6.86 -3.53 -0.15 4.50 5.15 -1.26 -4.62 115.26 122.21 2qal n ASN 52 Ca 0.18 -0.82 0.02 0.00 -0.60 0.00 0.00 54.58 53.35 2qal n ASN 52 Cb 0.42 -3.77 -0.01 0.00 -0.53 0.00 0.00 39.78 35.89 2qal n ASN 52 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2qal n LYS 53 N -4.55 -0.31 -1.46 1.20 0.00 -0.88 -5.07 118.16 107.09 2qal n LYS 53 Ca -0.06 0.22 0.13 0.00 0.00 0.00 0.00 58.31 58.60 2qal n LYS 53 Cb 0.57 -0.38 -0.07 0.00 0.00 0.00 0.00 35.03 35.15 2qal n LYS 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2qal n LEU 54 N -2.11 -1.14 -0.35 3.14 7.99 -1.26 -4.81 117.00 118.46 2qal n LEU 54 Ca -0.00 2.43 0.08 0.00 -0.01 0.00 0.00 56.01 58.51 2qal n LEU 54 Cb 0.07 -3.05 0.16 0.00 -0.11 0.00 0.00 43.42 40.49 2qal n LEU 54 CO 0.00 -1.77 0.46 1.41 -1.51 0.00 0.00 177.39 175.98 2qal n HIS 55 N -3.94 0.00 -3.77 -1.77 8.25 -1.26 -4.00 115.22 108.74 2qal n HIS 55 Ca -0.07 -1.17 -0.13 0.00 -0.26 0.00 0.00 57.72 56.09 2qal n HIS 55 Cb 0.62 -0.19 -0.12 0.00 1.12 0.00 0.00 29.99 31.42 2qal n HIS 55 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2qal s LYS 56 N -2.87 0.31 0.03 -0.41 1.02 -1.26 -2.23 119.74 114.33 2qal s LYS 56 Ca 0.34 0.43 -0.02 0.00 0.02 0.00 0.00 55.97 56.73 2qal s LYS 56 Cb 0.31 0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 37.71 2qal s LYS 56 CO -0.02 -0.06 0.01 0.00 -0.92 0.00 0.00 175.35 174.36 2qal s ALA 57 N 0.36 0.13 -0.52 5.17 0.00 -0.68 -4.29 121.76 121.93 2qal s ALA 57 Ca -0.02 -0.68 -0.14 0.00 0.00 0.00 0.00 51.96 51.13 2qal s ALA 57 Cb -0.03 0.19 0.13 0.00 0.00 0.00 0.00 23.12 23.41 2qal s ALA 57 CO -0.01 -0.24 0.45 -1.58 0.00 0.00 0.00 175.76 174.37 2qal s HIS 58 N -2.23 3.32 0.54 0.00 2.46 -0.36 -1.07 115.29 117.94 2qal s HIS 58 Ca -0.09 -1.50 -0.13 0.00 0.47 0.00 0.00 55.06 53.81 2qal s HIS 58 Cb -0.04 -3.70 -0.06 0.00 -0.13 0.00 0.00 32.58 28.65 2qal s HIS 58 CO -0.03 -1.01 0.97 0.71 -2.47 0.00 0.00 174.74 172.90 2qal s TYR 59 N 1.50 3.53 -0.03 3.88 1.51 -0.63 0.57 117.35 127.68 2qal s TYR 59 Ca 0.04 1.32 -0.16 0.00 -1.01 0.00 0.00 57.07 57.26 2qal s TYR 59 Cb -0.28 -2.70 0.03 0.00 -0.11 0.00 0.00 41.96 38.89 2qal s TYR 59 CO 0.02 -0.46 0.35 0.08 -1.11 0.00 0.00 175.55 174.43 2qal s VAL 60 N -2.82 0.05 0.49 0.71 1.01 -0.64 -2.76 120.40 116.44 2qal s VAL 60 Ca 0.56 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.21 2qal s VAL 60 Cb -0.10 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.63 2qal s VAL 60 CO 0.41 -0.21 0.21 -0.76 0.00 0.00 0.00 175.10 174.75 2qal s LEU 61 N -1.12 2.74 0.00 3.92 2.01 0.73 -2.19 118.68 124.76 2qal s LEU 61 Ca -0.12 -1.30 0.00 0.00 0.01 0.00 0.00 54.13 52.72 2qal s LEU 61 Cb -0.04 -1.15 0.00 0.00 0.01 0.00 0.00 46.19 45.00 2qal s LEU 61 CO 0.04 -0.84 0.00 0.80 1.01 0.00 0.00 176.35 177.37 2qal n MET 62 N -1.44 0.00 -2.37 1.70 1.56 -0.37 -4.16 117.12 112.04 2qal n MET 62 Ca -0.06 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.34 2qal n MET 62 Cb 0.65 0.00 0.01 0.00 2.15 0.00 0.00 33.22 36.03 2qal n MET 62 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2qal n ASN 63 N -0.17 -4.94 -2.70 6.12 4.13 -1.17 -3.45 115.26 113.08 2qal n ASN 63 Ca 0.00 -0.14 -0.05 0.00 1.68 0.00 0.00 54.58 56.06 2qal n ASN 63 Cb 0.00 -3.24 0.02 0.00 -1.54 0.00 0.00 39.78 35.02 2qal n ASN 63 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2qal n VAL 64 N -1.73 0.00 -3.00 2.41 0.31 -0.80 -2.56 118.33 112.95 2qal n VAL 64 Ca -0.01 -0.45 -0.16 0.00 -0.01 0.00 0.00 64.34 63.71 2qal n VAL 64 Cb 0.52 -1.05 -0.00 0.00 -0.91 0.00 0.00 33.84 32.40 2qal n VAL 64 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qal n GLU 65 N -1.39 0.84 -4.54 5.55 2.13 -0.31 -2.03 120.64 120.89 2qal n GLU 65 Ca 0.04 -2.67 -0.26 0.00 0.66 0.00 0.00 57.16 54.93 2qal n GLU 65 Cb 0.15 -1.36 -0.10 0.00 0.27 0.00 0.00 31.44 30.40 2qal n GLU 65 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qal s ALA 66 N -0.75 3.05 0.27 4.31 0.00 -1.22 -3.30 121.76 124.12 2qal s ALA 66 Ca 0.33 -2.15 -0.30 0.00 0.00 0.00 0.00 51.96 49.85 2qal s ALA 66 Cb 0.25 -0.01 -0.10 0.00 0.00 0.00 0.00 23.12 23.25 2qal s ALA 66 CO -0.13 0.02 1.44 -1.25 0.00 0.00 0.00 175.76 175.84 2qal s PRO 67 N -3.65 4.25 0.21 0.00 0.04 -1.26 -3.63 135.00 130.96 2qal s PRO 67 Ca 0.34 2.34 0.07 0.00 0.04 0.00 0.00 61.00 63.79 2qal s PRO 67 Cb 0.04 -3.09 0.65 0.00 0.04 0.00 0.00 34.50 32.15 2qal s PRO 67 CO 0.17 -0.42 0.97 0.00 0.04 0.00 0.00 177.00 177.76 2qal n GLN 68 N 2.01 -0.04 0.00 4.56 10.64 -1.26 -2.14 117.38 131.15 2qal n GLN 68 Ca 0.06 0.89 0.00 0.00 -1.83 0.00 0.00 57.00 56.11 2qal n GLN 68 Cb 0.40 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.28 2qal n GLN 68 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 2qal n GLU 69 N -4.59 0.00 -0.17 2.61 2.13 -1.26 0.24 120.64 119.60 2qal n GLU 69 Ca 0.19 0.59 -0.05 0.00 0.66 0.00 0.00 57.16 58.54 2qal n GLU 69 Cb 0.64 -1.16 0.01 0.00 0.27 0.00 0.00 31.44 31.20 2qal n GLU 69 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2qal h VAL 70 N 0.00 0.22 -0.76 6.31 -1.51 -1.81 0.39 116.25 119.10 2qal h VAL 70 Ca 0.00 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.57 2qal h VAL 70 Cb 0.00 0.22 -0.05 0.00 -2.13 0.00 0.00 31.29 29.33 2qal h VAL 70 CO 0.00 0.00 0.50 -0.29 -1.23 0.00 0.00 177.57 176.55 2qal h ILE 71 N -0.17 0.93 -0.32 7.19 6.09 -1.55 0.13 117.51 129.80 2qal h ILE 71 Ca 0.22 -0.22 -0.15 0.00 -1.37 0.00 0.00 64.86 63.34 2qal h ILE 71 Cb 0.53 0.22 -0.01 0.00 0.47 0.00 0.00 36.82 38.03 2qal h ILE 71 CO -0.63 0.12 -0.39 -0.78 -3.07 0.00 0.00 178.15 173.41 2qal h ASP 72 N 0.65 0.82 0.18 2.19 3.58 0.33 0.06 116.42 124.22 2qal h ASP 72 Ca 0.35 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2qal h ASP 72 Cb 0.50 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.31 2qal h ASP 72 CO -0.13 1.11 -0.07 -0.33 -2.88 0.00 0.00 179.24 176.94 2qal h GLU 73 N 0.63 0.00 0.20 0.28 5.08 0.21 -1.92 114.58 119.07 2qal h GLU 73 Ca 0.05 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.08 2qal h GLU 73 Cb 0.94 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.21 2qal h GLU 73 CO 0.09 0.07 -1.59 1.25 -1.00 0.00 0.00 179.01 177.83 2qal h LEU 74 N 0.00 0.67 -1.62 1.33 5.85 -0.29 -3.30 115.31 117.96 2qal h LEU 74 Ca -0.00 -0.85 0.08 0.00 0.84 0.00 0.00 57.88 57.96 2qal h LEU 74 Cb 0.17 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 2qal h LEU 74 CO 0.01 1.69 0.57 -0.33 -0.34 0.00 0.00 178.44 180.04 2qal h GLU 75 N 0.12 0.00 0.09 1.25 5.08 -0.17 -0.57 114.58 120.37 2qal h GLU 75 Ca -0.28 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.77 2qal h GLU 75 Cb 2.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.35 2qal h GLU 75 CO 0.22 0.00 -1.62 1.79 -1.00 0.00 0.00 179.01 178.39 2qal h THR 76 N 0.00 0.82 -0.90 1.13 1.35 -1.63 -3.38 112.91 110.30 2qal h THR 76 Ca 0.14 -2.31 0.15 0.00 -0.55 0.00 0.00 66.41 63.84 2qal h THR 76 Cb 1.28 2.48 -0.10 0.00 -1.73 0.00 0.00 68.15 70.08 2qal h THR 76 CO -0.00 0.67 0.50 0.71 -0.25 0.00 0.00 175.52 177.15 2qal h THR 77 N -0.35 0.75 -0.02 6.82 1.35 -1.18 0.46 112.91 120.74 2qal h THR 77 Ca -0.37 -0.24 0.01 0.00 -0.55 0.00 0.00 66.41 65.25 2qal h THR 77 Cb 1.75 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 2qal h THR 77 CO -0.01 0.13 0.05 -0.26 -0.25 0.00 0.00 175.52 175.18 2qal h PHE 78 N 0.71 0.00 0.04 4.73 0.05 -1.67 -1.17 116.94 119.63 2qal h PHE 78 Ca 0.49 0.00 -0.29 0.00 3.82 0.00 0.00 57.97 61.99 2qal h PHE 78 Cb 0.68 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.60 2qal h PHE 78 CO -0.06 0.00 -1.58 0.00 -0.18 0.00 0.00 178.31 176.49 2qal h ARG 79 N 0.00 0.09 -1.88 1.51 2.47 -0.28 -3.36 114.38 112.93 2qal h ARG 79 Ca 0.01 -0.15 -0.75 0.00 -1.26 0.00 0.00 59.98 57.84 2qal h ARG 79 Cb 0.10 0.06 -0.29 0.00 -1.65 0.00 0.00 29.97 28.19 2qal h ARG 79 CO -0.00 0.80 0.87 1.19 0.56 0.00 0.00 179.97 183.39 2qal n PHE 80 N -3.24 3.04 -3.12 3.04 3.72 -0.46 -4.71 117.46 115.73 2qal n PHE 80 Ca -0.16 -2.44 -0.12 0.00 -0.05 0.00 0.00 57.45 54.68 2qal n PHE 80 Cb 1.03 -1.10 -0.04 0.00 -0.94 0.00 0.00 39.48 38.43 2qal n PHE 80 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2qal s ASN 81 N -1.38 -0.10 0.31 4.37 3.84 -1.12 -4.95 114.94 115.91 2qal s ASN 81 Ca 0.53 -1.93 0.21 0.00 0.21 0.00 0.00 52.86 51.88 2qal s ASN 81 Cb 0.44 0.99 1.09 0.00 -0.55 0.00 0.00 41.25 43.21 2qal s ASN 81 CO -0.37 -0.15 1.18 0.47 -2.79 0.00 0.00 177.10 175.45 2qal n ASP 82 N 3.41 0.19 -0.04 -4.21 10.43 -1.26 -0.23 116.55 124.85 2qal n ASP 82 Ca 0.19 1.11 -0.09 0.00 2.57 0.00 0.00 54.79 58.57 2qal n ASP 82 Cb 0.51 -0.55 -0.02 0.00 1.84 0.00 0.00 41.12 42.91 2qal n ASP 82 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qal h ALA 83 N 1.30 -0.15 -2.56 2.24 0.00 -1.95 -3.41 119.26 114.73 2qal h ALA 83 Ca 0.65 0.07 -0.53 0.00 0.00 0.00 0.00 54.91 55.10 2qal h ALA 83 Cb 1.98 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 20.24 2qal h ALA 83 CO -0.43 -0.68 0.28 0.54 0.00 0.00 0.00 179.25 178.97 2qal s VAL 84 N -6.08 4.71 0.00 0.00 0.11 0.68 -0.15 120.40 119.67 2qal s VAL 84 Ca -0.15 1.89 0.00 0.00 -2.93 0.00 0.00 61.98 60.80 2qal s VAL 84 Cb 0.12 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.73 2qal s VAL 84 CO 0.68 0.28 0.00 -0.38 -3.33 0.00 0.00 175.10 172.35 2qal n ILE 85 N 3.18 0.00 -1.80 7.04 5.41 -0.89 -4.83 119.36 127.47 2qal n ILE 85 Ca 0.02 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.36 2qal n ILE 85 Cb 0.50 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.43 2qal n ILE 85 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2qal s ARG 86 N 2.69 4.11 0.04 0.38 3.00 -1.26 -4.90 118.95 123.01 2qal s ARG 86 Ca 0.00 2.58 0.00 0.00 -1.00 0.00 0.00 55.73 57.31 2qal s ARG 86 Cb 0.00 -2.98 -0.03 0.00 0.00 0.00 0.00 34.95 31.94 2qal s ARG 86 CO 0.00 -0.56 -0.04 0.45 0.00 0.00 0.00 175.30 175.15 2qal s SER 87 N -0.00 0.51 0.05 -2.12 0.15 -1.26 -3.23 113.70 107.80 2qal s SER 87 Ca 0.55 -0.73 -0.15 0.00 0.70 0.00 0.00 55.95 56.32 2qal s SER 87 Cb -0.47 0.13 0.03 0.00 -1.71 0.00 0.00 66.02 63.99 2qal s SER 87 CO 0.60 -0.41 0.34 -0.32 1.20 0.00 0.00 173.24 174.65 2qal s MET 88 N -2.58 0.87 -0.28 5.44 0.00 -1.22 -5.05 119.30 116.47 2qal s MET 88 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 55.69 55.16 2qal s MET 88 Cb -0.02 0.38 0.15 0.00 0.00 0.00 0.00 34.83 35.34 2qal s MET 88 CO -0.04 -0.29 0.40 0.54 0.00 0.00 0.00 175.02 175.63 2qal s VAL 89 N -2.68 -0.62 0.00 10.11 0.11 -1.26 -2.24 120.40 123.82 2qal s VAL 89 Ca -0.04 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.78 2qal s VAL 89 Cb -0.00 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 2qal s VAL 89 CO -0.04 -0.24 0.00 0.23 -3.33 0.00 0.00 175.10 171.72 2qal n MET 90 N 5.36 -0.03 -3.64 1.54 2.81 -0.82 -4.88 117.12 117.46 2qal n MET 90 Ca -0.01 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.64 2qal n MET 90 Cb 0.49 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.00 2qal n MET 90 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2qal n ARG 91 N -0.94 0.78 0.00 0.03 1.85 -1.26 -3.39 116.66 113.73 2qal n ARG 91 Ca 0.00 -3.08 0.00 0.00 -1.00 0.00 0.00 57.85 53.77 2qal n ARG 91 Cb 0.00 0.37 0.00 0.00 -1.05 0.00 0.00 32.46 31.78 2qal n ARG 91 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2qal n THR 92 N -1.60 0.00 -1.40 8.89 -1.04 0.14 -4.15 114.28 115.12 2qal n THR 92 Ca -0.03 0.23 -0.09 0.00 -2.04 0.00 0.00 64.05 62.12 2qal n THR 92 Cb 0.56 -0.89 -0.03 0.00 -1.82 0.00 0.00 70.33 68.15 2qal n THR 92 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2qal n LYS 93 N 0.00 -0.62 -1.14 -2.82 5.02 -1.26 -4.54 118.16 112.81 2qal n LYS 93 Ca 0.00 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 57.03 2qal n LYS 93 Cb 0.00 -4.63 0.00 0.00 -0.02 0.00 0.00 35.03 30.38 2qal n LYS 93 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2qal n HIS 94 N -2.95 -1.09 -0.73 2.13 8.25 -1.26 -4.89 115.22 114.68 2qal n HIS 94 Ca -0.09 0.65 -0.28 0.00 -0.26 0.00 0.00 57.72 57.74 2qal n HIS 94 Cb 0.33 -2.40 -0.04 0.00 1.12 0.00 0.00 29.99 29.00 2qal n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qal n ALA 95 N 0.41 -0.92 -2.92 -1.41 0.00 -1.26 -4.95 120.51 109.47 2qal n ALA 95 Ca 0.00 0.23 -0.26 0.00 0.00 0.00 0.00 53.44 53.41 2qal n ALA 95 Cb 0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 2qal n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qal s VAL 96 N 0.96 5.16 0.02 0.00 1.01 -1.26 -5.12 120.40 121.17 2qal s VAL 96 Ca 0.44 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 2qal s VAL 96 Cb -0.62 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.11 2qal s VAL 96 CO 0.33 -0.10 0.25 -0.89 0.00 0.00 0.00 175.10 174.68 2qal s THR 97 N -1.75 0.09 0.19 3.92 2.01 -1.26 -4.52 115.64 114.31 2qal s THR 97 Ca 0.34 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2qal s THR 97 Cb -0.11 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.61 2qal s THR 97 CO 0.28 -0.39 0.00 -1.84 -0.69 0.00 0.00 174.62 171.98 2qal n GLU 98 N 0.89 -1.68 0.00 4.92 0.00 -1.26 -4.94 120.64 118.57 2qal n GLU 98 Ca -0.20 1.11 0.00 0.00 0.00 0.00 0.00 57.16 58.07 2qal n GLU 98 Cb 0.58 -2.05 0.00 0.00 0.00 0.00 0.00 31.44 29.97 2qal n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qal n ALA 99 N -1.45 0.00 -0.97 -1.84 0.00 -1.26 -5.13 120.51 109.87 2qal n ALA 99 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qal n ALA 99 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2qal n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93