#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1c n ARG 2 N 0.00 0.53 -3.64 0.03 3.00 -0.51 -4.41 116.66 111.67 3e1c n ARG 2 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.65 3e1c n ARG 2 Cb 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 32.46 31.31 3e1c n ARG 2 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3e1c n HIS 3 N -0.19 -0.72 -1.66 -0.14 8.25 -1.15 -2.20 115.22 117.41 3e1c n HIS 3 Ca 0.00 0.26 -0.38 0.00 -0.26 0.00 0.00 57.72 57.33 3e1c n HIS 3 Cb 0.06 -1.57 0.05 0.00 1.12 0.00 0.00 29.99 29.65 3e1c n HIS 3 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3e1c n TYR 4 N -3.09 1.33 -3.98 4.41 4.01 -0.81 -3.21 117.16 115.82 3e1c n TYR 4 Ca -0.15 0.44 -0.31 0.00 -0.16 0.00 0.00 57.90 57.72 3e1c n TYR 4 Cb 0.37 -2.21 -0.15 0.00 -0.31 0.00 0.00 39.34 37.04 3e1c n TYR 4 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3e1c s GLU 5 N -2.80 1.65 -0.10 -0.72 2.12 0.23 -1.23 118.70 117.84 3e1c s GLU 5 Ca 0.75 -1.41 0.00 0.00 0.36 0.00 0.00 54.97 54.66 3e1c s GLU 5 Cb -0.42 -2.83 0.02 0.00 0.26 0.00 0.00 34.13 31.16 3e1c s GLU 5 CO 0.47 -0.75 -0.09 -1.50 -0.54 0.00 0.00 175.26 172.86 3e1c s ILE 6 N 1.16 1.06 -0.04 -3.70 2.07 -1.12 -0.92 121.20 119.72 3e1c s ILE 6 Ca 0.01 -0.34 -0.00 0.00 -1.41 0.00 0.00 60.65 58.91 3e1c s ILE 6 Cb -0.19 -1.06 -0.03 0.00 0.13 0.00 0.00 42.46 41.31 3e1c s ILE 6 CO -0.08 0.37 0.01 -0.69 -1.91 0.00 0.00 174.94 172.64 3e1c s VAL 7 N 1.49 4.32 0.18 4.00 1.01 -0.06 -3.25 120.40 128.08 3e1c s VAL 7 Ca 0.01 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3e1c s VAL 7 Cb -0.13 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 3e1c s VAL 7 CO -0.06 0.48 0.11 0.72 0.00 0.00 0.00 175.10 176.34 3e1c s PHE 8 N -1.01 1.09 -0.33 5.22 -0.12 -1.11 -1.13 117.98 120.59 3e1c s PHE 8 Ca 0.17 -1.33 -0.00 0.00 -0.05 0.00 0.00 56.93 55.72 3e1c s PHE 8 Cb -0.11 -0.55 0.13 0.00 -0.63 0.00 0.00 43.02 41.86 3e1c s PHE 8 CO 0.07 -0.59 0.23 -1.64 -0.05 0.00 0.00 175.22 173.24 3e1c s MET 9 N -4.12 0.45 0.53 1.99 -1.94 -0.77 -1.51 119.30 113.93 3e1c s MET 9 Ca 0.34 -0.93 -0.14 0.00 -1.71 0.00 0.00 55.69 53.25 3e1c s MET 9 Cb 0.07 -1.10 -0.06 0.00 2.01 0.00 0.00 34.83 35.75 3e1c s MET 9 CO 0.09 -1.14 0.97 0.54 -0.01 0.00 0.00 175.02 175.46 3e1c s VAL 10 N 1.52 4.63 -0.05 -6.03 0.11 -0.78 -0.85 120.40 118.94 3e1c s VAL 10 Ca 0.15 1.01 -0.19 0.00 -2.93 0.00 0.00 61.98 60.02 3e1c s VAL 10 Cb -0.19 -3.77 -0.09 0.00 -1.53 0.00 0.00 36.38 30.80 3e1c s VAL 10 CO -0.12 -0.81 0.55 1.41 -3.33 0.00 0.00 175.10 172.79 3e1c n HIS 11 N -1.92 0.42 0.24 1.54 8.25 0.06 -1.03 115.22 122.78 3e1c n HIS 11 Ca 0.06 0.50 0.08 0.00 -0.26 0.00 0.00 57.72 58.09 3e1c n HIS 11 Cb 0.54 -0.98 0.62 0.00 1.12 0.00 0.00 29.99 31.29 3e1c n HIS 11 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3e1c h PRO 12 N 1.60 0.04 0.00 -0.41 0.13 -1.79 -3.32 132.00 128.25 3e1c h PRO 12 Ca -0.23 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3e1c h PRO 12 Cb 0.65 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3e1c h PRO 12 CO 0.34 0.03 -1.19 -0.25 -0.23 0.00 0.00 178.00 176.69 3e1c n ASP 13 N -4.53 1.14 -2.33 1.44 10.43 -1.26 -4.51 116.55 116.92 3e1c n ASP 13 Ca -0.03 -0.41 -0.04 0.00 2.57 0.00 0.00 54.79 56.88 3e1c n ASP 13 Cb 0.09 1.35 -0.05 0.00 1.84 0.00 0.00 41.12 44.35 3e1c n ASP 13 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3e1c n GLN 14 N -1.69 0.62 0.14 -1.24 10.64 -1.25 -4.68 117.38 119.93 3e1c n GLN 14 Ca -0.00 -0.31 0.11 0.00 -1.83 0.00 0.00 57.00 54.97 3e1c n GLN 14 Cb 0.31 -1.65 0.51 0.00 -0.86 0.00 0.00 30.24 28.55 3e1c n GLN 14 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3e1c n SER 15 N 2.82 0.57 0.06 2.61 2.88 -1.26 -1.23 113.62 120.08 3e1c n SER 15 Ca 0.13 0.70 0.06 0.00 -1.33 0.00 0.00 58.87 58.43 3e1c n SER 15 Cb 0.29 -0.80 -0.05 0.00 -0.75 0.00 0.00 64.21 62.89 3e1c n SER 15 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3e1c n GLU 16 N -2.20 0.62 -0.12 -1.46 0.00 -1.26 -4.39 120.64 111.84 3e1c n GLU 16 Ca 0.00 0.14 -0.14 0.00 0.00 0.00 0.00 57.16 57.16 3e1c n GLU 16 Cb 0.13 -1.79 -0.13 0.00 0.00 0.00 0.00 31.44 29.64 3e1c n GLU 16 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 3e1c n GLN 17 N -2.75 0.69 -0.34 3.44 0.00 -0.36 -4.38 117.38 113.69 3e1c n GLN 17 Ca -0.05 0.08 0.18 0.00 -0.00 0.00 0.00 57.00 57.21 3e1c n GLN 17 Cb 0.69 -1.51 0.41 0.00 0.00 0.00 0.00 30.24 29.84 3e1c n GLN 17 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.06 176.67 3e1c h VAL 18 N 0.00 0.59 -0.21 1.69 -1.51 -1.63 0.17 116.25 115.34 3e1c h VAL 18 Ca -0.55 -0.20 -0.13 0.00 -1.23 0.00 0.00 66.70 64.59 3e1c h VAL 18 Cb 2.01 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 3e1c h VAL 18 CO -0.04 0.10 -0.37 1.55 -1.23 0.00 0.00 177.57 177.58 3e1c h PRO 19 N 0.57 0.63 -0.00 5.19 0.13 -1.77 -0.09 132.00 136.66 3e1c h PRO 19 Ca 0.60 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3e1c h PRO 19 Cb 1.21 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 3e1c h PRO 19 CO -0.38 1.01 0.00 0.78 -0.23 0.00 0.00 178.00 179.18 3e1c h GLY 20 N 0.32 0.00 2.00 1.56 0.00 -1.75 -2.23 103.07 102.97 3e1c h GLY 20 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 3e1c h GLY 20 CO 0.08 0.00 -0.65 1.98 0.00 0.00 0.00 176.54 177.96 3e1c h MET 21 N 0.00 0.00 -0.06 4.80 -1.53 -0.49 -2.99 114.93 114.66 3e1c h MET 21 Ca 0.00 0.00 -0.09 0.00 -3.44 0.00 0.00 59.70 56.17 3e1c h MET 21 Cb 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.06 3e1c h MET 21 CO -0.00 0.65 -0.31 0.82 0.14 0.00 0.00 176.91 178.21 3e1c h ILE 22 N 0.00 1.44 -0.52 1.77 2.04 -0.39 -1.52 117.51 120.33 3e1c h ILE 22 Ca -0.01 -1.75 0.10 0.00 1.00 0.00 0.00 64.86 64.20 3e1c h ILE 22 Cb 1.40 2.39 -0.11 0.00 -0.74 0.00 0.00 36.82 39.77 3e1c h ILE 22 CO 0.08 0.50 -0.28 -0.33 0.00 0.00 0.00 178.15 178.12 3e1c h GLU 23 N -0.21 -0.15 0.00 2.37 5.08 -1.65 -1.61 114.58 118.40 3e1c h GLU 23 Ca -0.02 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3e1c h GLU 23 Cb 0.97 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 3e1c h GLU 23 CO 0.06 -0.10 -0.04 -0.09 -1.00 0.00 0.00 179.01 177.84 3e1c h ARG 24 N -0.16 0.00 0.05 2.33 2.43 -1.36 -2.39 114.38 115.28 3e1c h ARG 24 Ca 0.23 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 59.02 3e1c h ARG 24 Cb 0.52 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.02 3e1c h ARG 24 CO -0.61 0.04 -2.25 0.66 -1.51 0.00 0.00 179.97 176.30 3e1c n TYR 25 N -3.31 0.55 0.00 2.20 0.53 -0.58 -4.15 117.16 112.40 3e1c n TYR 25 Ca -0.02 0.12 0.20 0.00 -1.02 0.00 0.00 57.90 57.19 3e1c n TYR 25 Cb 0.20 -1.07 0.68 0.00 -1.03 0.00 0.00 39.34 38.12 3e1c n TYR 25 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3e1c h THR 26 N -0.05 0.74 -0.75 -0.72 1.03 -1.34 -2.99 112.91 108.83 3e1c h THR 26 Ca -0.52 -0.00 0.22 0.00 -0.01 0.00 0.00 66.41 66.10 3e1c h THR 26 Cb 1.92 0.73 -0.14 0.00 -1.07 0.00 0.00 68.15 69.59 3e1c h THR 26 CO -0.04 0.00 0.06 0.00 -0.01 0.00 0.00 175.52 175.53 3e1c n ALA 27 N -2.64 0.43 0.02 0.00 0.00 -0.90 -1.02 120.51 116.40 3e1c n ALA 27 Ca 0.10 0.80 -0.12 0.00 0.00 0.00 0.00 53.44 54.22 3e1c n ALA 27 Cb 0.59 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 19.36 3e1c n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1c h ALA 28 N 1.51 0.02 0.59 0.00 0.00 -1.75 -1.59 119.26 118.04 3e1c h ALA 28 Ca 0.48 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 3e1c h ALA 28 Cb 1.03 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.82 3e1c h ALA 28 CO -0.70 -0.43 -0.28 0.82 0.00 0.00 0.00 179.25 178.66 3e1c h ILE 29 N -0.08 0.15 -0.55 0.00 1.08 -1.41 -2.88 117.51 113.81 3e1c h ILE 29 Ca 0.00 -0.40 0.07 0.00 -0.39 0.00 0.00 64.86 64.14 3e1c h ILE 29 Cb 0.10 0.21 -0.06 0.00 -3.07 0.00 0.00 36.82 34.01 3e1c h ILE 29 CO -0.00 0.02 0.24 0.00 -0.69 0.00 0.00 178.15 177.72 3e1c h THR 30 N -1.14 0.86 0.00 -0.27 1.03 -1.21 -1.38 112.91 110.80 3e1c h THR 30 Ca -0.08 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 66.17 3e1c h THR 30 Cb 0.64 0.38 0.00 0.00 -1.07 0.00 0.00 68.15 68.10 3e1c h THR 30 CO 0.13 0.08 0.08 0.61 -0.01 0.00 0.00 175.52 176.42 3e1c n GLY 31 N -1.27 -0.76 0.89 2.99 0.00 -0.60 -1.87 105.19 104.57 3e1c n GLY 31 Ca 0.06 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.35 3e1c n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1c n ALA 32 N -1.69 2.46 -0.91 4.61 0.00 -0.54 -5.02 120.51 119.42 3e1c n ALA 32 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3e1c n ALA 32 Cb 0.11 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3e1c n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3e1c n GLU 33 N 1.23 -0.07 -1.80 0.00 -0.58 -0.78 -4.93 120.64 113.71 3e1c n GLU 33 Ca 0.13 0.02 -0.40 0.00 -0.42 0.00 0.00 57.16 56.49 3e1c n GLU 33 Cb 0.54 -3.02 0.02 0.00 -0.57 0.00 0.00 31.44 28.41 3e1c n GLU 33 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3e1c s GLY 34 N -2.00 2.92 0.16 0.62 0.00 -1.14 -5.00 107.32 102.87 3e1c s GLY 34 Ca 0.00 1.44 0.10 0.00 0.00 0.00 0.00 44.72 46.26 3e1c s GLY 34 CO 0.00 2.04 -0.22 0.54 0.00 0.00 0.00 173.10 175.46 3e1c s LYS 35 N -2.51 1.35 -0.28 2.90 1.02 -1.06 -4.11 119.74 117.05 3e1c s LYS 35 Ca 0.62 -1.39 0.03 0.00 0.02 0.00 0.00 55.97 55.25 3e1c s LYS 35 Cb -0.43 -1.61 0.07 0.00 -0.52 0.00 0.00 37.83 35.35 3e1c s LYS 35 CO 0.55 0.35 -0.06 0.42 -0.92 0.00 0.00 175.35 175.69 3e1c s ILE 36 N -1.59 2.09 0.14 2.17 1.09 -1.26 -1.57 121.20 122.27 3e1c s ILE 36 Ca 0.15 -1.77 -0.18 0.00 -1.10 0.00 0.00 60.65 57.76 3e1c s ILE 36 Cb -0.08 -2.31 -0.02 0.00 -1.06 0.00 0.00 42.46 38.99 3e1c s ILE 36 CO 0.07 -0.20 1.78 0.45 -0.10 0.00 0.00 174.94 176.95 3e1c h HIS 37 N 7.76 0.32 -3.45 3.97 3.86 -1.30 -3.46 115.15 122.85 3e1c h HIS 37 Ca -0.15 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 58.99 3e1c h HIS 37 Cb 1.04 -0.10 -0.15 0.00 1.06 0.00 0.00 27.41 29.26 3e1c h HIS 37 CO 0.57 0.19 -0.23 -0.98 0.86 0.00 0.00 177.93 178.34 3e1c s ARG 38 N -6.17 0.89 -0.40 2.45 1.70 -1.25 -4.71 118.95 111.45 3e1c s ARG 38 Ca -0.13 -0.67 0.06 0.00 -0.47 0.00 0.00 55.73 54.51 3e1c s ARG 38 Cb 0.10 0.38 0.17 0.00 -0.57 0.00 0.00 34.95 35.03 3e1c s ARG 38 CO 0.71 -0.30 0.51 -1.17 -1.08 0.00 0.00 175.30 173.97 3e1c s LEU 39 N -2.46 -0.74 -0.43 -1.89 2.96 -1.26 -1.92 118.68 112.94 3e1c s LEU 39 Ca -0.00 -1.34 -0.21 0.00 -0.22 0.00 0.00 54.13 52.37 3e1c s LEU 39 Cb 0.01 1.23 0.02 0.00 0.50 0.00 0.00 46.19 47.96 3e1c s LEU 39 CO -0.08 -0.20 0.64 -1.61 -1.32 0.00 0.00 176.35 173.78 3e1c s GLU 40 N 1.48 3.30 -0.83 1.98 2.02 0.35 -4.98 118.70 122.02 3e1c s GLU 40 Ca 0.18 -0.36 -0.24 0.00 0.02 0.00 0.00 54.97 54.58 3e1c s GLU 40 Cb -0.08 -3.94 -0.19 0.00 0.10 0.00 0.00 34.13 30.01 3e1c s GLU 40 CO -0.05 -0.99 2.47 -3.47 0.02 0.00 0.00 175.26 173.24 3e1c n ASP 41 N 6.22 0.68 0.16 -0.19 4.64 -1.26 -1.13 116.55 125.67 3e1c n ASP 41 Ca -0.02 -0.41 0.03 0.00 -1.38 0.00 0.00 54.79 53.01 3e1c n ASP 41 Cb 0.48 -1.13 0.39 0.00 -1.04 0.00 0.00 41.12 39.83 3e1c n ASP 41 CO 0.00 0.00 0.00 -0.50 -0.82 0.00 0.00 177.20 175.88 3e1c h TRP 42 N 13.93 0.14 0.00 -0.67 4.06 -1.93 -3.49 115.95 127.99 3e1c h TRP 42 Ca -0.07 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.86 3e1c h TRP 42 Cb 1.21 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.34 3e1c h TRP 42 CO 1.13 0.35 0.00 0.41 -3.56 0.00 0.00 178.44 176.77 3e1c n GLY 43 N -0.76 -2.11 0.91 1.49 0.00 -1.26 -4.72 105.19 98.73 3e1c n GLY 43 Ca -0.01 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.55 3e1c n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3e1c n ARG 44 N -0.07 0.48 -1.69 1.61 0.63 -1.26 -2.01 116.66 114.35 3e1c n ARG 44 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 3e1c n ARG 44 Cb 0.00 -1.25 -0.00 0.00 0.45 0.00 0.00 32.46 31.65 3e1c n ARG 44 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3e1c n ARG 45 N 0.67 1.99 -0.96 -0.14 0.63 -1.22 -4.60 116.66 113.04 3e1c n ARG 45 Ca 0.00 0.70 -0.28 0.00 -0.92 0.00 0.00 57.85 57.35 3e1c n ARG 45 Cb 0.22 -2.30 0.20 0.00 0.45 0.00 0.00 32.46 31.03 3e1c n ARG 45 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 3e1c s GLN 46 N -1.95 -0.05 0.16 -0.14 1.03 -1.26 -1.57 119.66 115.88 3e1c s GLN 46 Ca 0.57 0.62 0.07 0.00 0.04 0.00 0.00 55.36 56.67 3e1c s GLN 46 Cb -0.56 -1.67 -0.04 0.00 0.03 0.00 0.00 33.01 30.77 3e1c s GLN 46 CO 0.61 -3.08 -0.04 -0.51 -2.54 0.00 0.00 175.29 169.73 3e1c s LEU 47 N -6.72 3.21 0.17 2.60 1.43 -1.06 -4.75 118.68 113.57 3e1c s LEU 47 Ca 0.66 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 3e1c s LEU 47 Cb -0.21 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.14 3e1c s LEU 47 CO 0.60 0.11 1.40 0.00 0.23 0.00 0.00 176.35 178.70 3e1c h ALA 48 N 2.96 0.57 -2.57 4.21 0.00 -1.98 -3.49 119.26 118.96 3e1c h ALA 48 Ca -0.47 -0.71 -0.14 0.00 0.00 0.00 0.00 54.91 53.58 3e1c h ALA 48 Cb 1.19 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.77 3e1c h ALA 48 CO 0.56 0.92 -0.45 0.71 0.00 0.00 0.00 179.25 180.99 3e1c s TYR 49 N -3.24 0.64 -0.75 0.00 2.02 -1.26 -5.12 117.35 109.64 3e1c s TYR 49 Ca -0.03 -0.99 -0.21 0.00 -0.37 0.00 0.00 57.07 55.48 3e1c s TYR 49 Cb 0.10 -0.24 0.10 0.00 -0.40 0.00 0.00 41.96 41.52 3e1c s TYR 49 CO 0.82 -0.66 0.99 -1.25 -1.57 0.00 0.00 175.55 173.88 3e1c s PRO 50 N -4.02 3.28 0.02 -1.71 0.04 -1.26 -4.99 135.00 126.36 3e1c s PRO 50 Ca 0.22 -1.25 0.04 0.00 0.04 0.00 0.00 61.00 60.05 3e1c s PRO 50 Cb 0.05 -4.49 -0.02 0.00 0.04 0.00 0.00 34.50 30.08 3e1c s PRO 50 CO 0.03 -1.76 -0.12 0.96 0.04 0.00 0.00 177.00 176.14 3e1c s ILE 51 N 3.35 0.95 -0.33 0.56 -4.36 -1.26 -4.93 121.20 115.19 3e1c s ILE 51 Ca 0.25 -0.78 0.00 0.00 -0.26 0.00 0.00 60.65 59.86 3e1c s ILE 51 Cb -0.13 -0.84 0.00 0.00 1.25 0.00 0.00 42.46 42.73 3e1c s ILE 51 CO 0.02 0.07 0.00 0.59 0.24 0.00 0.00 174.94 175.86 3e1c n ASN 52 N 2.24 -2.67 0.00 4.36 4.13 -1.26 -4.48 115.26 117.58 3e1c n ASN 52 Ca -0.17 0.08 0.00 0.00 1.68 0.00 0.00 54.58 56.17 3e1c n ASN 52 Cb 0.55 -2.07 0.00 0.00 -1.54 0.00 0.00 39.78 36.72 3e1c n ASN 52 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3e1c n LYS 53 N -0.21 -1.03 -0.10 3.52 5.02 -1.26 -4.76 118.16 119.34 3e1c n LYS 53 Ca -0.03 0.26 0.08 0.00 -2.02 0.00 0.00 58.31 56.59 3e1c n LYS 53 Cb 0.26 -4.37 0.12 0.00 -0.02 0.00 0.00 35.03 31.01 3e1c n LYS 53 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3e1c n LEU 54 N 0.00 2.69 0.00 -0.35 4.77 -1.26 -5.05 117.00 117.80 3e1c n LEU 54 Ca 0.00 -1.40 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 3e1c n LEU 54 Cb 0.26 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3e1c n LEU 54 CO 0.00 0.58 0.00 0.00 -1.33 0.00 0.00 177.39 176.64 3e1c n HIS 55 N 0.88 0.00 -3.89 -1.77 1.44 -1.26 -4.92 115.22 105.70 3e1c n HIS 55 Ca 0.12 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.74 3e1c n HIS 55 Cb 0.43 -1.10 -0.08 0.00 0.12 0.00 0.00 29.99 29.37 3e1c n HIS 55 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3e1c s LYS 56 N -0.83 0.83 0.00 -1.40 1.02 -1.26 -2.55 119.74 115.55 3e1c s LYS 56 Ca 0.00 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 54.99 3e1c s LYS 56 Cb 0.00 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 3e1c s LYS 56 CO 0.00 -0.26 0.00 0.00 -0.92 0.00 0.00 175.35 174.17 3e1c n ALA 57 N -0.05 0.00 -4.04 5.17 0.00 -0.61 -4.49 120.51 116.50 3e1c n ALA 57 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.98 3e1c n ALA 57 Cb 0.62 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.92 3e1c n ALA 57 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3e1c s HIS 58 N -0.34 3.19 0.63 0.00 2.46 -0.19 -3.38 115.29 117.67 3e1c s HIS 58 Ca 0.00 -2.33 -0.07 0.00 0.47 0.00 0.00 55.06 53.13 3e1c s HIS 58 Cb 0.00 -2.01 0.02 0.00 -0.13 0.00 0.00 32.58 30.46 3e1c s HIS 58 CO 0.00 -0.87 0.96 0.71 -2.47 0.00 0.00 174.74 173.07 3e1c s TYR 59 N 1.12 3.21 0.05 3.88 1.51 -0.85 -1.86 117.35 124.41 3e1c s TYR 59 Ca -0.06 0.69 0.02 0.00 -1.01 0.00 0.00 57.07 56.72 3e1c s TYR 59 Cb -0.20 -2.89 -0.03 0.00 -0.11 0.00 0.00 41.96 38.74 3e1c s TYR 59 CO -0.06 -1.00 -0.08 0.08 -1.11 0.00 0.00 175.55 173.38 3e1c s VAL 60 N -3.11 0.58 -0.02 0.71 1.01 -0.57 -3.97 120.40 115.03 3e1c s VAL 60 Ca 0.56 -1.24 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3e1c s VAL 60 Cb -0.11 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 3e1c s VAL 60 CO 0.46 -0.47 -0.10 -0.22 0.00 0.00 0.00 175.10 174.78 3e1c s LEU 61 N -1.85 1.91 0.04 3.92 2.96 -0.28 -2.73 118.68 122.65 3e1c s LEU 61 Ca -0.06 -0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 3e1c s LEU 61 Cb -0.07 -0.54 -0.01 0.00 0.50 0.00 0.00 46.19 46.07 3e1c s LEU 61 CO -0.01 0.10 0.13 0.00 -1.32 0.00 0.00 176.35 175.25 3e1c s MET 62 N -0.04 0.65 -0.24 1.98 0.23 -1.20 -0.50 119.30 120.18 3e1c s MET 62 Ca 0.01 -0.76 0.00 0.00 -1.03 0.00 0.00 55.69 53.91 3e1c s MET 62 Cb -0.06 0.26 0.06 0.00 -1.53 0.00 0.00 34.83 33.56 3e1c s MET 62 CO 0.00 -0.17 -0.03 -0.80 -2.03 0.00 0.00 175.02 171.98 3e1c s ASN 63 N -2.22 3.80 -0.16 -1.18 -0.87 -0.81 -2.79 114.94 110.71 3e1c s ASN 63 Ca -0.03 -1.20 0.02 0.00 -1.57 0.00 0.00 52.86 50.07 3e1c s ASN 63 Cb -0.00 -1.12 0.01 0.00 -0.02 0.00 0.00 41.25 40.13 3e1c s ASN 63 CO -0.05 -0.26 -0.21 0.68 -2.57 0.00 0.00 177.10 174.69 3e1c s VAL 64 N 1.44 2.04 -0.90 1.60 -7.23 -0.37 -0.80 120.40 116.18 3e1c s VAL 64 Ca -0.04 -0.95 -0.21 0.00 -1.81 0.00 0.00 61.98 58.98 3e1c s VAL 64 Cb -0.19 -1.82 -0.12 0.00 0.56 0.00 0.00 36.38 34.81 3e1c s VAL 64 CO -0.07 0.54 1.98 1.21 -0.31 0.00 0.00 175.10 178.45 3e1c n GLU 65 N 4.34 1.75 -4.06 4.82 2.13 -0.61 -1.92 120.64 127.10 3e1c n GLU 65 Ca -0.20 -1.99 -0.09 0.00 0.66 0.00 0.00 57.16 55.55 3e1c n GLU 65 Cb 0.51 -2.99 -0.10 0.00 0.27 0.00 0.00 31.44 29.13 3e1c n GLU 65 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3e1c s ALA 66 N 4.67 0.43 0.63 4.31 0.00 -1.26 -2.57 121.76 127.96 3e1c s ALA 66 Ca 0.55 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 3e1c s ALA 66 Cb 0.14 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.49 3e1c s ALA 66 CO 0.08 -0.26 0.93 -1.25 0.00 0.00 0.00 175.76 175.26 3e1c s PRO 67 N -2.90 2.63 0.34 0.00 0.04 -1.26 -1.06 135.00 132.79 3e1c s PRO 67 Ca -0.02 -0.15 0.08 0.00 0.04 0.00 0.00 61.00 60.95 3e1c s PRO 67 Cb 0.00 -2.25 0.77 0.00 0.04 0.00 0.00 34.50 33.06 3e1c s PRO 67 CO -0.06 -0.90 1.85 -0.56 0.04 0.00 0.00 177.00 177.38 3e1c h GLN 68 N -0.31 0.72 -0.53 4.56 -0.00 -2.01 -2.55 115.11 114.99 3e1c h GLN 68 Ca -0.45 -0.04 0.15 0.00 -0.00 0.00 0.00 58.65 58.31 3e1c h GLN 68 Cb 1.28 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.48 28.58 3e1c h GLN 68 CO 0.60 0.48 0.55 0.39 -0.00 0.00 0.00 178.83 180.85 3e1c n GLU 69 N -4.59 0.01 -0.00 0.06 1.02 -1.26 -1.78 120.64 114.10 3e1c n GLU 69 Ca 0.18 0.45 0.02 0.00 -0.02 0.00 0.00 57.16 57.79 3e1c n GLU 69 Cb 0.47 -1.10 -0.02 0.00 -0.02 0.00 0.00 31.44 30.76 3e1c n GLU 69 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3e1c n VAL 70 N -2.26 0.00 0.24 2.62 0.24 -0.96 -4.81 118.33 113.40 3e1c n VAL 70 Ca 0.12 -0.28 0.10 0.00 -2.04 0.00 0.00 64.34 62.23 3e1c n VAL 70 Cb 0.71 0.77 0.60 0.00 -1.47 0.00 0.00 33.84 34.44 3e1c n VAL 70 CO 0.00 0.00 0.00 0.16 -2.14 0.00 0.00 176.83 174.85 3e1c h ILE 71 N 0.00 0.76 0.00 1.34 3.07 -1.48 0.08 117.51 121.27 3e1c h ILE 71 Ca 0.00 -0.77 -0.19 0.00 1.55 0.00 0.00 64.86 65.45 3e1c h ILE 71 Cb 0.11 1.47 -0.03 0.00 -0.27 0.00 0.00 36.82 38.11 3e1c h ILE 71 CO 0.00 0.19 -0.91 0.44 -1.05 0.00 0.00 178.15 176.82 3e1c h ASP 72 N 0.00 0.00 1.50 2.16 3.32 -1.89 -0.70 116.42 120.82 3e1c h ASP 72 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3e1c h ASP 72 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3e1c h ASP 72 CO 0.02 0.91 0.00 -0.33 -1.72 0.00 0.00 179.24 178.12 3e1c h GLU 73 N 0.00 0.00 0.12 3.56 5.08 -1.32 0.31 114.58 122.33 3e1c h GLU 73 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3e1c h GLU 73 Cb 1.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.91 3e1c h GLU 73 CO 0.12 0.00 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.00 3e1c h LEU 74 N 0.00 -0.13 -1.56 1.33 4.07 -1.44 -2.97 115.31 114.60 3e1c h LEU 74 Ca 0.00 -0.02 0.33 0.00 0.08 0.00 0.00 57.88 58.27 3e1c h LEU 74 Cb 0.75 0.03 -0.09 0.00 1.08 0.00 0.00 40.66 42.44 3e1c h LEU 74 CO 0.00 0.36 0.78 -0.08 -1.08 0.00 0.00 178.44 178.42 3e1c h GLU 75 N -1.04 0.20 0.55 1.13 4.57 -1.03 -0.80 114.58 118.17 3e1c h GLU 75 Ca -0.02 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3e1c h GLU 75 Cb 0.15 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3e1c h GLU 75 CO 0.03 0.14 -0.27 1.15 -1.18 0.00 0.00 179.01 178.88 3e1c h THR 76 N 0.21 0.00 0.00 0.32 2.02 -0.53 -2.92 112.91 112.00 3e1c h THR 76 Ca 0.65 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.56 3e1c h THR 76 Cb 2.01 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3e1c h THR 76 CO -0.24 0.00 0.00 0.35 0.37 0.00 0.00 175.52 176.00 3e1c n THR 77 N -4.74 0.58 -0.03 3.16 -2.24 -0.68 -1.55 114.28 108.79 3e1c n THR 77 Ca -0.09 0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.72 3e1c n THR 77 Cb 0.29 -0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 67.64 3e1c n THR 77 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3e1c h PHE 78 N 0.00 -0.05 0.00 4.78 0.04 -1.31 -3.27 116.94 117.13 3e1c h PHE 78 Ca 0.00 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 3e1c h PHE 78 Cb 0.34 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 3e1c h PHE 78 CO 0.00 0.60 -0.19 -0.09 -0.60 0.00 0.00 178.31 178.03 3e1c h ARG 79 N -0.88 0.00 0.00 1.51 2.43 -1.23 -1.96 114.38 114.25 3e1c h ARG 79 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3e1c h ARG 79 Cb 0.67 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3e1c h ARG 79 CO 0.01 0.19 -0.78 1.19 -1.51 0.00 0.00 179.97 179.07 3e1c n PHE 80 N -3.37 0.52 -2.11 2.20 3.72 -0.60 -4.76 117.46 113.06 3e1c n PHE 80 Ca 0.00 0.15 -0.35 0.00 -0.05 0.00 0.00 57.45 57.20 3e1c n PHE 80 Cb 0.40 -0.63 -0.04 0.00 -0.94 0.00 0.00 39.48 38.28 3e1c n PHE 80 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3e1c s ASN 81 N -4.27 5.36 0.13 4.37 3.84 -0.74 -4.87 114.94 118.78 3e1c s ASN 81 Ca 0.05 -0.11 0.03 0.00 0.21 0.00 0.00 52.86 53.04 3e1c s ASN 81 Cb 0.13 -2.54 0.19 0.00 -0.55 0.00 0.00 41.25 38.48 3e1c s ASN 81 CO 0.75 -2.40 0.86 0.47 -2.79 0.00 0.00 177.10 173.99 3e1c n ASP 82 N 12.66 0.09 -0.32 -4.21 8.00 -1.26 -1.49 116.55 130.01 3e1c n ASP 82 Ca 0.25 0.30 0.04 0.00 0.71 0.00 0.00 54.79 56.09 3e1c n ASP 82 Cb 0.50 -0.25 0.05 0.00 -0.02 0.00 0.00 41.12 41.40 3e1c n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3e1c n ALA 83 N -1.30 2.41 -2.93 2.24 0.00 -1.26 -4.96 120.51 114.71 3e1c n ALA 83 Ca -0.00 -0.67 -0.44 0.00 0.00 0.00 0.00 53.44 52.33 3e1c n ALA 83 Cb 0.38 -0.26 -0.04 0.00 0.00 0.00 0.00 19.45 19.53 3e1c n ALA 83 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3e1c s VAL 84 N -0.69 4.49 0.08 0.00 1.01 -0.56 -0.76 120.40 123.97 3e1c s VAL 84 Ca 0.10 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.20 3e1c s VAL 84 Cb 0.06 -4.65 -0.09 0.00 0.00 0.00 0.00 36.38 31.71 3e1c s VAL 84 CO 0.09 -1.38 1.38 0.40 0.00 0.00 0.00 175.10 175.59 3e1c h ILE 85 N 5.94 0.00 -3.72 2.22 2.04 -1.31 -3.46 117.51 119.22 3e1c h ILE 85 Ca -0.25 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 3e1c h ILE 85 Cb 1.07 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.01 3e1c h ILE 85 CO 1.15 0.00 -0.32 -0.60 0.00 0.00 0.00 178.15 178.38 3e1c s ARG 86 N -4.86 0.87 -0.08 2.37 6.06 -1.25 -5.02 118.95 117.04 3e1c s ARG 86 Ca -0.11 -0.89 -0.13 0.00 -2.50 0.00 0.00 55.73 52.10 3e1c s ARG 86 Cb 0.05 0.36 0.03 0.00 0.06 0.00 0.00 34.95 35.45 3e1c s ARG 86 CO 0.42 -0.29 0.33 -1.12 -2.50 0.00 0.00 175.30 172.14 3e1c s SER 87 N -2.79 -0.29 0.10 -2.12 0.01 -1.26 -1.85 113.70 105.50 3e1c s SER 87 Ca 0.04 0.43 -0.04 0.00 1.31 0.00 0.00 55.95 57.69 3e1c s SER 87 Cb 0.04 0.53 -0.03 0.00 0.21 0.00 0.00 66.02 66.78 3e1c s SER 87 CO -0.11 -0.27 0.09 0.00 0.41 0.00 0.00 173.24 173.36 3e1c s MET 88 N -0.50 0.83 0.03 12.44 0.23 -0.28 -5.01 119.30 127.04 3e1c s MET 88 Ca -0.06 -1.22 0.07 0.00 -1.03 0.00 0.00 55.69 53.44 3e1c s MET 88 Cb -0.04 0.27 -0.02 0.00 -1.53 0.00 0.00 34.83 33.51 3e1c s MET 88 CO 0.02 -0.23 -0.19 0.08 -2.03 0.00 0.00 175.02 172.67 3e1c s VAL 89 N -3.95 1.56 0.14 5.16 1.01 -1.26 -0.88 120.40 122.17 3e1c s VAL 89 Ca 0.13 -1.09 0.07 0.00 0.00 0.00 0.00 61.98 61.09 3e1c s VAL 89 Cb 0.07 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 3e1c s VAL 89 CO -0.05 0.22 -0.17 -0.04 0.00 0.00 0.00 175.10 175.06 3e1c s MET 90 N -1.02 1.15 0.22 2.72 -1.94 -0.09 -4.99 119.30 115.35 3e1c s MET 90 Ca 0.07 -1.30 0.04 0.00 -1.71 0.00 0.00 55.69 52.78 3e1c s MET 90 Cb -0.08 -1.16 -0.05 0.00 2.01 0.00 0.00 34.83 35.55 3e1c s MET 90 CO 0.01 0.24 -0.02 -0.98 -0.01 0.00 0.00 175.02 174.26 3e1c s ARG 91 N -2.62 1.31 0.00 2.03 1.70 -1.26 -0.60 118.95 119.51 3e1c s ARG 91 Ca 0.12 -1.66 0.00 0.00 -0.47 0.00 0.00 55.73 53.72 3e1c s ARG 91 Cb -0.06 -0.64 0.00 0.00 -0.57 0.00 0.00 34.95 33.69 3e1c s ARG 91 CO 0.05 -0.07 0.00 -2.37 -1.08 0.00 0.00 175.30 171.82 3e1c n THR 92 N -0.40 0.00 -3.57 4.99 5.66 -0.94 -4.95 114.28 115.07 3e1c n THR 92 Ca -0.06 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.71 3e1c n THR 92 Cb 0.63 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.42 3e1c n THR 92 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3e1c n LYS 93 N 0.42 -1.66 -0.27 1.09 4.01 -1.26 -4.82 118.16 115.67 3e1c n LYS 93 Ca 0.00 1.10 0.04 0.00 -0.51 0.00 0.00 58.31 58.93 3e1c n LYS 93 Cb 0.00 -2.90 -0.01 0.00 -0.51 0.00 0.00 35.03 31.62 3e1c n LYS 93 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 3e1c n HIS 94 N -1.80 -2.05 -1.86 2.13 8.25 -1.26 -4.97 115.22 113.67 3e1c n HIS 94 Ca -0.20 0.34 -0.14 0.00 -0.26 0.00 0.00 57.72 57.46 3e1c n HIS 94 Cb 0.65 -0.59 0.09 0.00 1.12 0.00 0.00 29.99 31.26 3e1c n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3e1c n ALA 95 N -0.65 -0.42 -3.59 -1.41 0.00 -1.26 -4.89 120.51 108.29 3e1c n ALA 95 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 53.44 52.23 3e1c n ALA 95 Cb 0.12 0.04 -0.12 0.00 0.00 0.00 0.00 19.45 19.49 3e1c n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3e1c s VAL 96 N -2.05 0.84 0.36 0.00 1.01 -1.26 -5.01 120.40 114.29 3e1c s VAL 96 Ca 0.36 -2.24 0.20 0.00 0.00 0.00 0.00 61.98 60.30 3e1c s VAL 96 Cb -0.01 -1.60 0.19 0.00 0.00 0.00 0.00 36.38 34.96 3e1c s VAL 96 CO 0.25 -0.96 1.93 0.74 0.00 0.00 0.00 175.10 177.06 3e1c h THR 97 N 5.10 0.89 -2.96 3.92 2.02 -1.97 -3.39 112.91 116.53 3e1c h THR 97 Ca 0.04 -0.93 -0.62 0.00 0.77 0.00 0.00 66.41 65.66 3e1c h THR 97 Cb 0.94 1.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.83 3e1c h THR 97 CO 0.39 0.24 -0.30 -1.61 0.37 0.00 0.00 175.52 174.61 3e1c s GLU 98 N -4.14 3.85 1.01 6.66 2.02 -1.26 -4.69 118.70 122.15 3e1c s GLU 98 Ca -0.02 0.21 -0.12 0.00 0.02 0.00 0.00 54.97 55.06 3e1c s GLU 98 Cb 0.13 -3.25 0.20 0.00 0.10 0.00 0.00 34.13 31.31 3e1c s GLU 98 CO 0.66 0.63 1.08 0.00 0.02 0.00 0.00 175.26 177.65 3e1c s ALA 99 N -0.78 0.75 -2.00 5.21 0.00 -1.26 -5.08 121.76 118.59 3e1c s ALA 99 Ca 0.20 -0.16 0.20 0.00 0.00 0.00 0.00 51.96 52.21 3e1c s ALA 99 Cb -0.15 -3.19 1.20 0.00 0.00 0.00 0.00 23.12 20.98 3e1c s ALA 99 CO 0.09 -2.99 1.59 0.43 0.00 0.00 0.00 175.76 174.88