#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1o s ARG 2 N 0.00 3.32 0.83 0.03 6.06 -1.26 -5.01 118.95 122.93 3i1o s ARG 2 Ca 0.00 0.13 -0.11 0.00 -2.50 0.00 0.00 55.73 53.26 3i1o s ARG 2 Cb 0.00 -4.11 0.09 0.00 0.06 0.00 0.00 34.95 30.99 3i1o s ARG 2 CO 0.00 -1.94 1.09 -1.01 -2.50 0.00 0.00 175.30 170.94 3i1o s HIS 3 N 5.62 2.40 0.16 5.12 3.76 -1.26 -3.51 115.29 127.58 3i1o s HIS 3 Ca 0.43 1.46 -0.15 0.00 -0.15 0.00 0.00 55.06 56.65 3i1o s HIS 3 Cb -0.09 -3.11 0.02 0.00 1.11 0.00 0.00 32.58 30.52 3i1o s HIS 3 CO 0.21 -2.11 0.42 0.71 -0.85 0.00 0.00 174.74 173.12 3i1o s TYR 4 N -2.89 -0.01 -0.27 1.40 2.02 -1.18 -2.08 117.35 114.33 3i1o s TYR 4 Ca 0.62 -0.33 -0.01 0.00 -0.37 0.00 0.00 57.07 56.98 3i1o s TYR 4 Cb -0.18 0.24 0.09 0.00 -0.40 0.00 0.00 41.96 41.70 3i1o s TYR 4 CO 0.57 -0.80 0.07 -2.00 -1.57 0.00 0.00 175.55 171.81 3i1o s GLU 5 N -3.88 0.81 0.33 -0.62 2.12 -0.83 -1.94 118.70 114.68 3i1o s GLU 5 Ca 0.09 -0.92 -0.12 0.00 0.36 0.00 0.00 54.97 54.38 3i1o s GLU 5 Cb 0.01 -2.10 -0.07 0.00 0.26 0.00 0.00 34.13 32.23 3i1o s GLU 5 CO -0.05 -0.86 0.69 0.42 -0.54 0.00 0.00 175.26 174.92 3i1o s ILE 6 N 1.64 4.80 -0.23 -3.70 1.09 -1.26 -1.29 121.20 122.25 3i1o s ILE 6 Ca 0.06 0.66 -0.06 0.00 -1.10 0.00 0.00 60.65 60.21 3i1o s ILE 6 Cb -0.17 -3.66 0.11 0.00 -1.06 0.00 0.00 42.46 37.68 3i1o s ILE 6 CO -0.19 -0.28 0.46 0.54 -0.10 0.00 0.00 174.94 175.37 3i1o s VAL 7 N -2.08 -0.71 0.23 2.92 0.11 -0.62 -1.20 120.40 119.05 3i1o s VAL 7 Ca 0.51 0.09 0.10 0.00 -2.93 0.00 0.00 61.98 59.75 3i1o s VAL 7 Cb -0.10 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 33.94 3i1o s VAL 7 CO 0.24 0.02 -0.18 0.72 -3.33 0.00 0.00 175.10 172.57 3i1o s PHE 8 N 2.66 2.01 -0.19 1.54 -0.12 -1.08 -1.43 117.98 121.37 3i1o s PHE 8 Ca 0.02 -0.44 0.01 0.00 -0.05 0.00 0.00 56.93 56.47 3i1o s PHE 8 Cb -0.13 -0.91 0.04 0.00 -0.63 0.00 0.00 43.02 41.39 3i1o s PHE 8 CO -0.15 0.52 -0.13 -1.64 -0.05 0.00 0.00 175.22 173.78 3i1o s MET 9 N -3.44 2.30 -0.12 1.99 -1.94 -0.95 -2.90 119.30 114.24 3i1o s MET 9 Ca 0.25 -0.85 -0.02 0.00 -1.71 0.00 0.00 55.69 53.36 3i1o s MET 9 Cb -0.04 -2.45 -0.03 0.00 2.01 0.00 0.00 34.83 34.33 3i1o s MET 9 CO 0.11 -0.37 -0.04 0.08 -0.01 0.00 0.00 175.02 174.79 3i1o s VAL 10 N 1.36 3.88 -0.01 -6.03 1.01 -0.77 0.32 120.40 120.15 3i1o s VAL 10 Ca 0.00 -0.38 -0.34 0.00 0.00 0.00 0.00 61.98 61.26 3i1o s VAL 10 Cb -0.15 -2.65 -0.12 0.00 0.00 0.00 0.00 36.38 33.45 3i1o s VAL 10 CO -0.09 0.54 1.79 1.57 0.00 0.00 0.00 175.10 178.90 3i1o n HIS 11 N 2.96 2.30 0.28 5.22 -0.00 -0.24 -0.61 115.22 125.14 3i1o n HIS 11 Ca -0.18 0.08 0.12 0.00 0.46 0.00 0.00 57.72 58.21 3i1o n HIS 11 Cb 0.53 -2.62 0.57 0.00 -0.12 0.00 0.00 29.99 28.34 3i1o n HIS 11 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3i1o h PRO 12 N 8.17 0.00 0.06 1.57 0.13 -1.92 0.39 132.00 140.41 3i1o h PRO 12 Ca -0.47 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 3i1o h PRO 12 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 3i1o h PRO 12 CO 0.93 0.00 -0.17 -0.44 -0.23 0.00 0.00 178.00 178.09 3i1o h ASP 13 N 0.00 -0.48 -0.87 1.44 3.45 -1.98 -3.28 116.42 114.70 3i1o h ASP 13 Ca 0.05 0.06 -0.60 0.00 0.43 0.00 0.00 57.03 56.97 3i1o h ASP 13 Cb 1.20 0.19 -0.33 0.00 -0.56 0.00 0.00 39.33 39.83 3i1o h ASP 13 CO -0.00 -0.24 0.18 0.00 -1.57 0.00 0.00 179.24 177.61 3i1o n GLN 14 N -5.30 2.98 0.00 3.56 1.13 0.14 -4.67 117.38 115.21 3i1o n GLN 14 Ca -0.06 -3.61 0.15 0.00 -1.94 0.00 0.00 57.00 51.54 3i1o n GLN 14 Cb 0.22 -2.26 0.87 0.00 0.11 0.00 0.00 30.24 29.18 3i1o n GLN 14 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3i1o n SER 15 N -0.86 0.00 -0.89 1.08 2.88 -1.19 -2.74 113.62 111.90 3i1o n SER 15 Ca 0.54 -1.06 0.06 0.00 -1.33 0.00 0.00 58.87 57.08 3i1o n SER 15 Cb 0.83 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.48 3i1o n SER 15 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 3i1o n GLU 16 N -0.96 2.27 -0.01 -1.46 0.00 -1.26 -3.91 120.64 115.30 3i1o n GLU 16 Ca 0.22 -1.52 0.08 0.00 0.00 0.00 0.00 57.16 55.94 3i1o n GLU 16 Cb 0.10 -1.48 -0.11 0.00 0.00 0.00 0.00 31.44 29.95 3i1o n GLU 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3i1o n GLN 17 N 0.58 0.90 0.26 3.44 6.02 -1.11 -4.78 117.38 122.69 3i1o n GLN 17 Ca 0.14 -0.10 -0.18 0.00 -0.01 0.00 0.00 57.00 56.85 3i1o n GLN 17 Cb 0.46 -1.32 -0.10 0.00 1.02 0.00 0.00 30.24 30.30 3i1o n GLN 17 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3i1o h VAL 18 N 0.00 0.00 -0.40 5.09 2.07 -1.78 0.16 116.25 121.40 3i1o h VAL 18 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 3i1o h VAL 18 Cb 0.61 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3i1o h VAL 18 CO 0.00 0.00 0.36 1.55 0.02 0.00 0.00 177.57 179.50 3i1o h PRO 19 N -0.97 0.00 0.13 1.57 0.13 -1.88 1.09 132.00 132.07 3i1o h PRO 19 Ca -0.05 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.79 3i1o h PRO 19 Cb 0.86 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.01 3i1o h PRO 19 CO -0.11 0.00 -1.24 0.78 -0.23 0.00 0.00 178.00 177.21 3i1o h GLY 20 N 0.00 0.53 1.39 1.56 0.00 -1.59 -0.71 103.07 104.26 3i1o h GLY 20 Ca 0.19 -1.19 -0.12 0.00 0.00 0.00 0.00 47.33 46.22 3i1o h GLY 20 CO -0.00 1.04 -0.27 -0.33 0.00 0.00 0.00 176.54 176.98 3i1o h MET 21 N 0.19 0.69 0.56 4.80 2.86 0.23 -1.83 114.93 122.43 3i1o h MET 21 Ca -0.17 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.15 3i1o h MET 21 Cb 1.92 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.56 3i1o h MET 21 CO 0.22 0.89 -0.29 0.82 1.06 0.00 0.00 176.91 179.61 3i1o h ILE 22 N 0.60 0.00 -0.86 -1.22 1.08 0.11 -1.53 117.51 115.69 3i1o h ILE 22 Ca 0.08 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.76 3i1o h ILE 22 Cb 0.77 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.46 3i1o h ILE 22 CO 0.06 0.00 0.59 1.05 -0.69 0.00 0.00 178.15 179.16 3i1o h GLU 23 N -0.78 0.25 0.00 2.37 4.11 -1.17 0.28 114.58 119.64 3i1o h GLU 23 Ca -0.08 -0.02 -0.08 0.00 0.07 0.00 0.00 59.36 59.26 3i1o h GLU 23 Cb 0.60 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3i1o h GLU 23 CO 0.11 0.17 -0.38 -0.09 0.07 0.00 0.00 179.01 178.89 3i1o h ARG 24 N 0.26 0.00 0.00 1.06 2.43 -1.17 -1.61 114.38 115.36 3i1o h ARG 24 Ca 0.44 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.34 3i1o h ARG 24 Cb 1.29 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.80 3i1o h ARG 24 CO -0.11 0.38 -1.83 0.66 -1.51 0.00 0.00 179.97 177.56 3i1o n TYR 25 N -3.44 0.67 -0.09 2.20 0.53 0.73 -3.28 117.16 114.48 3i1o n TYR 25 Ca 0.00 0.24 -0.13 0.00 -1.02 0.00 0.00 57.90 56.99 3i1o n TYR 25 Cb 0.55 -1.07 -0.04 0.00 -1.03 0.00 0.00 39.34 37.74 3i1o n TYR 25 CO 0.00 0.00 0.00 1.79 -1.02 0.00 0.00 176.86 177.63 3i1o h THR 26 N 0.00 1.30 0.00 -0.72 1.35 -0.86 0.66 112.91 114.64 3i1o h THR 26 Ca -0.31 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.08 3i1o h THR 26 Cb 1.91 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.92 3i1o h THR 26 CO 0.05 0.47 0.00 0.00 -0.25 0.00 0.00 175.52 175.79 3i1o n ALA 27 N -2.50 2.16 -0.08 6.62 0.00 -0.61 0.01 120.51 126.12 3i1o n ALA 27 Ca -0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 3i1o n ALA 27 Cb 0.48 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 3i1o n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1o n ALA 28 N -0.96 1.63 -0.04 0.00 0.00 -0.82 -2.66 120.51 117.66 3i1o n ALA 28 Ca 0.12 -0.86 -0.19 0.00 0.00 0.00 0.00 53.44 52.51 3i1o n ALA 28 Cb 0.06 0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.39 3i1o n ALA 28 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3i1o h ILE 29 N 0.00 1.27 -0.00 0.00 5.03 -0.36 -3.05 117.51 120.40 3i1o h ILE 29 Ca -0.40 -2.35 0.00 0.00 -0.12 0.00 0.00 64.86 62.00 3i1o h ILE 29 Cb 1.76 2.84 0.00 0.00 -3.03 0.00 0.00 36.82 38.38 3i1o h ILE 29 CO -0.02 0.58 -0.22 0.41 -0.68 0.00 0.00 178.15 178.22 3i1o n THR 30 N -4.26 0.00 1.80 -0.27 -1.04 0.10 -0.12 114.28 110.48 3i1o n THR 30 Ca -0.21 -0.01 0.02 0.00 -2.04 0.00 0.00 64.05 61.81 3i1o n THR 30 Cb 0.72 -0.15 0.09 0.00 -1.82 0.00 0.00 70.33 69.16 3i1o n THR 30 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1o n GLY 31 N 1.48 -0.70 0.10 3.41 0.00 -1.09 -3.03 105.19 105.37 3i1o n GLY 31 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i1o n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1o n ALA 32 N -0.34 1.20 -1.79 4.61 0.00 -1.08 -4.81 120.51 118.30 3i1o n ALA 32 Ca 0.04 -0.41 -0.00 0.00 0.00 0.00 0.00 53.44 53.06 3i1o n ALA 32 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1o n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i1o n GLU 33 N 0.00 -0.27 -3.53 0.00 4.71 -0.94 -4.85 120.64 115.77 3i1o n GLU 33 Ca 0.00 0.62 -0.22 0.00 -0.01 0.00 0.00 57.16 57.55 3i1o n GLU 33 Cb 0.53 -2.29 -0.14 0.00 -1.01 0.00 0.00 31.44 28.52 3i1o n GLU 33 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3i1o s GLY 34 N -2.29 0.17 -0.40 0.62 0.00 0.82 -4.74 107.32 101.49 3i1o s GLY 34 Ca 0.01 -0.15 -0.27 0.00 0.00 0.00 0.00 44.72 44.30 3i1o s GLY 34 CO 0.14 2.05 2.02 0.54 0.00 0.00 0.00 173.10 177.85 3i1o s LYS 35 N 2.24 2.89 -0.95 2.90 1.02 -1.26 -3.68 119.74 122.89 3i1o s LYS 35 Ca 0.06 1.37 -0.24 0.00 0.02 0.00 0.00 55.97 57.18 3i1o s LYS 35 Cb -0.16 -4.35 0.01 0.00 -0.52 0.00 0.00 37.83 32.81 3i1o s LYS 35 CO -0.16 -2.39 1.66 0.42 -0.92 0.00 0.00 175.35 173.96 3i1o s ILE 36 N 8.73 3.71 -0.98 2.17 1.01 -1.26 -3.51 121.20 131.06 3i1o s ILE 36 Ca 0.85 -0.54 0.18 0.00 0.00 0.00 0.00 60.65 61.14 3i1o s ILE 36 Cb -0.21 -4.59 0.15 0.00 0.01 0.00 0.00 42.46 37.82 3i1o s ILE 36 CO 0.30 -1.50 1.58 1.41 0.00 0.00 0.00 174.94 176.72 3i1o n HIS 37 N 11.10 0.03 -3.65 3.97 8.25 -1.26 -4.84 115.22 128.82 3i1o n HIS 37 Ca 0.35 0.01 -0.01 0.00 -0.26 0.00 0.00 57.72 57.81 3i1o n HIS 37 Cb 0.49 -0.52 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 3i1o n HIS 37 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3i1o s ARG 38 N -3.01 0.61 -0.30 -0.41 1.04 -1.26 -4.42 118.95 111.21 3i1o s ARG 38 Ca 0.09 -0.33 -0.18 0.00 -1.04 0.00 0.00 55.73 54.27 3i1o s ARG 38 Cb 0.12 0.22 0.19 0.00 -2.04 0.00 0.00 34.95 33.44 3i1o s ARG 38 CO 0.33 -0.28 1.22 -1.17 -0.04 0.00 0.00 175.30 175.36 3i1o s LEU 39 N -2.87 -0.17 0.44 -1.89 2.96 -1.23 -4.35 118.68 111.58 3i1o s LEU 39 Ca 0.13 0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 3i1o s LEU 39 Cb 0.02 1.21 -0.04 0.00 0.50 0.00 0.00 46.19 47.88 3i1o s LEU 39 CO -0.03 -0.03 0.03 -1.61 -1.32 0.00 0.00 176.35 173.39 3i1o s GLU 40 N 1.78 2.01 -0.40 1.98 0.41 -1.23 -5.03 118.70 118.22 3i1o s GLU 40 Ca -0.03 -2.21 0.03 0.00 -0.41 0.00 0.00 54.97 52.34 3i1o s GLU 40 Cb -0.02 -1.38 0.16 0.00 -1.78 0.00 0.00 34.13 31.11 3i1o s GLU 40 CO -0.14 -0.25 0.30 0.34 -0.49 0.00 0.00 175.26 175.02 3i1o s ASP 41 N -3.74 2.01 0.16 -0.19 3.68 -1.26 -2.98 116.67 114.35 3i1o s ASP 41 Ca 0.22 -2.78 -0.17 0.00 2.13 0.00 0.00 52.55 51.95 3i1o s ASP 41 Cb 0.06 -0.45 0.12 0.00 -1.45 0.00 0.00 42.92 41.19 3i1o s ASP 41 CO 0.11 -0.22 1.20 0.79 0.13 0.00 0.00 175.17 177.18 3i1o n TRP 42 N 3.24 -0.08 0.00 -5.34 7.02 -0.97 -4.88 117.44 116.43 3i1o n TRP 42 Ca 0.23 0.96 0.00 0.00 -1.02 0.00 0.00 57.50 57.67 3i1o n TRP 42 Cb 0.44 -0.72 0.00 0.00 -2.42 0.00 0.00 31.31 28.61 3i1o n TRP 42 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3i1o n GLY 43 N -1.32 1.38 0.22 6.99 0.00 -1.08 -4.92 105.19 106.46 3i1o n GLY 43 Ca 0.06 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3i1o n GLY 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1o n ARG 44 N 2.92 0.00 -4.18 1.61 0.00 -1.26 -4.57 116.66 111.19 3i1o n ARG 44 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 3i1o n ARG 44 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.42 3i1o n ARG 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 3i1o s ARG 45 N 0.00 2.24 -0.22 -0.14 3.52 0.27 -4.86 118.95 119.76 3i1o s ARG 45 Ca 0.00 -2.10 -0.13 0.00 -0.13 0.00 0.00 55.73 53.38 3i1o s ARG 45 Cb 0.00 -1.92 -0.05 0.00 -1.56 0.00 0.00 34.95 31.43 3i1o s ARG 45 CO 0.00 -0.46 0.26 -1.14 -0.81 0.00 0.00 175.30 173.15 3i1o s GLN 46 N -4.10 4.13 0.75 5.12 2.00 -1.26 -2.26 119.66 124.03 3i1o s GLN 46 Ca 0.27 -0.07 -0.11 0.00 -2.00 0.00 0.00 55.36 53.45 3i1o s GLN 46 Cb -0.00 -3.53 0.04 0.00 0.80 0.00 0.00 33.01 30.32 3i1o s GLN 46 CO 0.16 0.04 1.09 -0.51 -0.50 0.00 0.00 175.29 175.57 3i1o s LEU 47 N 1.09 2.80 0.00 3.68 1.43 -0.41 -4.98 118.68 122.28 3i1o s LEU 47 Ca 0.12 1.34 0.22 0.00 -1.03 0.00 0.00 54.13 54.78 3i1o s LEU 47 Cb -0.14 -4.06 -0.19 0.00 0.03 0.00 0.00 46.19 41.83 3i1o s LEU 47 CO 0.05 -1.68 0.79 0.00 0.23 0.00 0.00 176.35 175.74 3i1o n ALA 48 N -3.25 3.76 -3.50 4.21 0.00 -1.26 -4.97 120.51 115.50 3i1o n ALA 48 Ca 0.07 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.89 3i1o n ALA 48 Cb 0.56 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 3i1o n ALA 48 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3i1o s TYR 49 N -3.22 -0.40 0.10 0.00 1.13 -1.26 -5.14 117.35 108.55 3i1o s TYR 49 Ca 0.02 0.32 -0.35 0.00 -1.41 0.00 0.00 57.07 55.65 3i1o s TYR 49 Cb 0.15 0.53 -0.14 0.00 -1.10 0.00 0.00 41.96 41.39 3i1o s TYR 49 CO 0.87 -0.58 1.55 -0.35 -2.51 0.00 0.00 175.55 174.53 3i1o n PRO 50 N -0.11 1.84 -3.94 -3.49 -0.04 -1.26 -4.84 135.00 123.16 3i1o n PRO 50 Ca -0.11 0.66 -0.31 0.00 -0.04 0.00 0.00 63.50 63.71 3i1o n PRO 50 Cb 0.62 -2.40 -0.15 0.00 -0.04 0.00 0.00 33.50 31.52 3i1o n PRO 50 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3i1o s ILE 51 N 1.23 1.80 -1.18 0.52 1.01 -0.99 -4.77 121.20 118.82 3i1o s ILE 51 Ca 0.83 -1.85 -0.22 0.00 0.00 0.00 0.00 60.65 59.41 3i1o s ILE 51 Cb -0.77 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 39.46 3i1o s ILE 51 CO 0.43 -0.47 0.74 0.59 0.00 0.00 0.00 174.94 176.22 3i1o n ASN 52 N 4.49 -4.62 0.00 3.58 3.02 -1.26 -0.82 115.26 119.65 3i1o n ASN 52 Ca -0.02 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.45 3i1o n ASN 52 Cb 0.42 -2.97 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 3i1o n ASN 52 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3i1o n LYS 53 N -4.40 0.00 -1.60 3.52 0.00 -1.26 -4.93 118.16 109.49 3i1o n LYS 53 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 57.79 3i1o n LYS 53 Cb 0.59 -0.55 0.02 0.00 0.00 0.00 0.00 35.03 35.09 3i1o n LYS 53 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3i1o n LEU 54 N 0.00 2.62 0.00 3.14 -0.00 0.00 -4.86 117.00 117.90 3i1o n LEU 54 Ca 0.00 0.97 0.00 0.00 -0.00 0.00 0.00 56.01 56.98 3i1o n LEU 54 Cb 0.00 -1.34 0.00 0.00 -0.00 0.00 0.00 43.42 42.08 3i1o n LEU 54 CO 0.00 -1.67 0.10 1.41 -0.00 0.00 0.00 177.39 177.22 3i1o n HIS 55 N -0.78 0.00 -4.29 1.96 8.25 -1.26 -2.34 115.22 116.76 3i1o n HIS 55 Ca 0.10 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.37 3i1o n HIS 55 Cb 0.41 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.45 3i1o n HIS 55 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3i1o n LYS 56 N -0.15 0.41 0.00 -0.41 4.01 -1.26 -1.29 118.16 119.46 3i1o n LYS 56 Ca 0.00 -3.14 0.00 0.00 -0.51 0.00 0.00 58.31 54.66 3i1o n LYS 56 Cb 0.08 2.45 0.00 0.00 -0.51 0.00 0.00 35.03 37.06 3i1o n LYS 56 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i1o n ALA 57 N -0.90 0.00 -2.46 7.82 0.00 -0.96 -4.67 120.51 119.34 3i1o n ALA 57 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 3i1o n ALA 57 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 3i1o n ALA 57 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3i1o s HIS 58 N -1.15 3.27 -0.12 0.00 2.46 0.22 -0.56 115.29 119.40 3i1o s HIS 58 Ca 0.00 1.25 -0.05 0.00 0.47 0.00 0.00 55.06 56.73 3i1o s HIS 58 Cb 0.00 -3.41 -0.04 0.00 -0.13 0.00 0.00 32.58 29.00 3i1o s HIS 58 CO 0.00 -1.27 0.07 0.71 -2.47 0.00 0.00 174.74 171.79 3i1o s TYR 59 N 1.88 3.37 -0.07 3.88 1.51 -1.26 -1.85 117.35 124.80 3i1o s TYR 59 Ca 0.57 0.32 -0.00 0.00 -1.01 0.00 0.00 57.07 56.94 3i1o s TYR 59 Cb -0.26 -1.92 0.02 0.00 -0.11 0.00 0.00 41.96 39.70 3i1o s TYR 59 CO 0.24 0.52 -0.04 0.08 -1.11 0.00 0.00 175.55 175.24 3i1o s VAL 60 N -0.67 0.66 0.38 0.71 1.01 -1.14 -2.30 120.40 119.04 3i1o s VAL 60 Ca 0.12 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 3i1o s VAL 60 Cb -0.12 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3i1o s VAL 60 CO 0.02 0.29 0.65 -0.22 0.00 0.00 0.00 175.10 175.84 3i1o s LEU 61 N 1.47 3.89 0.00 3.92 1.98 -1.16 -2.64 118.68 126.15 3i1o s LEU 61 Ca -0.02 0.76 0.00 0.00 -2.89 0.00 0.00 54.13 51.99 3i1o s LEU 61 Cb -0.13 -3.64 0.00 0.00 0.66 0.00 0.00 46.19 43.08 3i1o s LEU 61 CO -0.04 -0.36 0.00 0.80 -1.89 0.00 0.00 176.35 174.86 3i1o n MET 62 N -1.59 0.00 -1.17 1.98 0.00 -0.34 -3.54 117.12 112.45 3i1o n MET 62 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.69 3i1o n MET 62 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.77 3i1o n MET 62 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3i1o n ASN 63 N -0.19 -5.22 0.00 6.12 4.13 -1.23 -3.49 115.26 115.38 3i1o n ASN 63 Ca 0.00 0.63 0.00 0.00 1.68 0.00 0.00 54.58 56.89 3i1o n ASN 63 Cb 0.00 -2.71 0.00 0.00 -1.54 0.00 0.00 39.78 35.53 3i1o n ASN 63 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 3i1o n VAL 64 N 0.74 0.00 -2.81 2.41 0.24 -0.82 -4.14 118.33 113.96 3i1o n VAL 64 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 3i1o n VAL 64 Cb 0.00 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.41 3i1o n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i1o n GLU 65 N 0.00 1.10 -1.99 7.34 1.02 -1.23 -3.10 120.64 123.78 3i1o n GLU 65 Ca 0.00 -2.78 -0.42 0.00 -0.02 0.00 0.00 57.16 53.94 3i1o n GLU 65 Cb 0.00 -1.06 -0.03 0.00 -0.02 0.00 0.00 31.44 30.33 3i1o n GLU 65 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i1o s ALA 66 N -1.74 3.70 -0.57 0.62 0.00 -1.23 -4.35 121.76 118.19 3i1o s ALA 66 Ca 0.28 1.23 -0.26 0.00 0.00 0.00 0.00 51.96 53.22 3i1o s ALA 66 Cb 0.40 -3.64 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 3i1o s ALA 66 CO -0.03 -0.90 2.35 -1.25 0.00 0.00 0.00 175.76 175.93 3i1o s PRO 67 N 1.83 2.06 0.00 0.00 0.04 -1.26 -4.13 135.00 133.54 3i1o s PRO 67 Ca 0.70 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.86 3i1o s PRO 67 Cb -0.40 -4.62 0.00 0.00 0.04 0.00 0.00 34.50 29.52 3i1o s PRO 67 CO 0.31 -3.46 0.00 0.00 0.04 0.00 0.00 177.00 173.90 3i1o n GLN 68 N 8.99 0.00 -0.24 4.56 0.00 -1.26 -0.52 117.38 128.91 3i1o n GLN 68 Ca 0.37 0.00 0.23 0.00 0.00 0.00 0.00 57.00 57.60 3i1o n GLN 68 Cb 0.52 0.00 0.41 0.00 0.00 0.00 0.00 30.24 31.17 3i1o n GLN 68 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3i1o n GLU 69 N -0.13 -0.04 0.10 2.61 1.02 -1.26 0.33 120.64 123.27 3i1o n GLU 69 Ca 0.00 0.90 0.12 0.00 -0.02 0.00 0.00 57.16 58.16 3i1o n GLU 69 Cb 0.00 -1.66 0.02 0.00 -0.02 0.00 0.00 31.44 29.79 3i1o n GLU 69 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 3i1o h VAL 70 N 0.00 0.00 0.00 2.62 -1.51 -1.15 -3.21 116.25 113.00 3i1o h VAL 70 Ca 0.57 -0.92 -0.02 0.00 -1.23 0.00 0.00 66.70 65.10 3i1o h VAL 70 Cb 1.60 1.44 -0.00 0.00 -2.13 0.00 0.00 31.29 32.19 3i1o h VAL 70 CO -0.47 0.00 -0.09 -0.29 -1.23 0.00 0.00 177.57 175.49 3i1o h ILE 71 N 0.00 0.36 -0.22 7.19 6.09 -0.31 -2.32 117.51 128.31 3i1o h ILE 71 Ca 0.00 -0.52 -0.08 0.00 -1.37 0.00 0.00 64.86 62.88 3i1o h ILE 71 Cb 0.96 1.38 -0.00 0.00 0.47 0.00 0.00 36.82 39.63 3i1o h ILE 71 CO 0.00 0.09 -0.19 0.44 -3.07 0.00 0.00 178.15 175.42 3i1o h ASP 72 N 0.00 0.55 -0.06 2.19 5.19 -1.55 -1.92 116.42 120.83 3i1o h ASP 72 Ca -0.00 -0.46 0.01 0.00 -0.62 0.00 0.00 57.03 55.96 3i1o h ASP 72 Cb 0.37 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.70 3i1o h ASP 72 CO 0.01 0.90 -0.21 -0.33 -3.12 0.00 0.00 179.24 176.49 3i1o h GLU 73 N 0.21 -0.22 -0.99 3.56 4.39 -1.54 0.96 114.58 120.96 3i1o h GLU 73 Ca 0.04 0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.93 3i1o h GLU 73 Cb 0.73 0.05 -0.17 0.00 -0.10 0.00 0.00 28.75 29.26 3i1o h GLU 73 CO 0.05 -0.14 -0.31 -0.11 -1.16 0.00 0.00 179.01 177.33 3i1o n LEU 74 N -3.69 -0.49 0.24 1.33 7.94 -1.08 -0.36 117.00 120.90 3i1o n LEU 74 Ca -0.02 1.71 -0.16 0.00 -1.11 0.00 0.00 56.01 56.43 3i1o n LEU 74 Cb 0.15 -0.46 -0.08 0.00 0.53 0.00 0.00 43.42 43.56 3i1o n LEU 74 CO 0.03 -1.59 0.69 -0.33 -1.11 0.00 0.00 177.39 175.08 3i1o h GLU 75 N 0.00 -0.63 0.00 1.96 5.08 -0.43 -2.01 114.58 118.55 3i1o h GLU 75 Ca 0.41 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.79 3i1o h GLU 75 Cb 0.66 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 3i1o h GLU 75 CO -1.00 -0.42 -0.15 1.79 -1.00 0.00 0.00 179.01 178.24 3i1o h THR 76 N -0.65 0.81 -0.36 1.13 1.35 0.06 -1.12 112.91 114.14 3i1o h THR 76 Ca -0.04 -0.56 -0.02 0.00 -0.55 0.00 0.00 66.41 65.24 3i1o h THR 76 Cb 0.55 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 3i1o h THR 76 CO 0.03 0.14 0.13 0.74 -0.25 0.00 0.00 175.52 176.30 3i1o h THR 77 N 0.00 1.15 0.34 6.82 2.02 0.02 -2.83 112.91 120.42 3i1o h THR 77 Ca -0.00 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 3i1o h THR 77 Cb 0.32 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3i1o h THR 77 CO 0.02 0.18 -0.16 -0.26 0.37 0.00 0.00 175.52 175.67 3i1o h PHE 78 N 0.50 -0.42 -0.92 3.16 0.04 -0.73 -3.28 116.94 115.30 3i1o h PHE 78 Ca 0.12 -0.01 0.26 0.00 2.80 0.00 0.00 57.97 61.15 3i1o h PHE 78 Cb 0.13 0.14 -0.15 0.00 2.20 0.00 0.00 35.95 38.27 3i1o h PHE 78 CO 0.01 -0.11 0.31 0.00 -0.60 0.00 0.00 178.31 177.92 3i1o h ARG 79 N -0.73 0.21 -1.02 1.51 3.08 -1.41 -0.26 114.38 115.76 3i1o h ARG 79 Ca -0.05 -0.01 -0.67 0.00 0.07 0.00 0.00 59.98 59.33 3i1o h ARG 79 Cb 0.50 -0.05 -0.31 0.00 0.08 0.00 0.00 29.97 30.19 3i1o h ARG 79 CO 0.08 0.14 0.64 1.19 -1.07 0.00 0.00 179.97 180.94 3i1o n PHE 80 N -5.20 3.16 -3.19 3.04 3.01 -1.20 -4.51 117.46 112.57 3i1o n PHE 80 Ca 0.25 -2.89 -0.21 0.00 1.01 0.00 0.00 57.45 55.61 3i1o n PHE 80 Cb 0.78 -1.28 -0.05 0.00 -0.01 0.00 0.00 39.48 38.93 3i1o n PHE 80 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3i1o n ASN 81 N -0.87 0.69 0.00 4.37 4.05 -0.11 -5.02 115.26 118.38 3i1o n ASN 81 Ca 0.60 -2.91 0.00 0.00 0.45 0.00 0.00 54.58 52.72 3i1o n ASN 81 Cb 0.68 -0.63 0.00 0.00 1.23 0.00 0.00 39.78 41.06 3i1o n ASN 81 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 3i1o n ASP 82 N 0.71 0.00 -0.33 1.20 -0.08 -1.26 0.43 116.55 117.21 3i1o n ASP 82 Ca 0.24 0.00 0.21 0.00 -1.51 0.00 0.00 54.79 53.73 3i1o n ASP 82 Cb 0.60 0.00 0.41 0.00 2.34 0.00 0.00 41.12 44.47 3i1o n ASP 82 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3i1o h ALA 83 N 0.00 1.56 -2.59 -1.67 0.00 -1.95 -3.37 119.26 111.23 3i1o h ALA 83 Ca 0.00 0.31 -0.54 0.00 0.00 0.00 0.00 54.91 54.68 3i1o h ALA 83 Cb 0.00 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3i1o h ALA 83 CO 0.00 -0.71 0.22 0.54 0.00 0.00 0.00 179.25 179.30 3i1o s VAL 84 N -5.82 4.82 0.00 0.00 0.11 0.17 -1.07 120.40 118.60 3i1o s VAL 84 Ca -0.11 1.75 0.00 0.00 -2.93 0.00 0.00 61.98 60.69 3i1o s VAL 84 Cb 0.31 -4.18 0.00 0.00 -1.53 0.00 0.00 36.38 30.98 3i1o s VAL 84 CO 0.78 0.27 0.00 2.30 -3.33 0.00 0.00 175.10 175.12 3i1o n ILE 85 N 3.34 0.00 -1.67 7.04 -5.35 0.15 -4.90 119.36 117.97 3i1o n ILE 85 Ca 0.01 0.00 -0.47 0.00 -0.27 0.00 0.00 62.75 62.02 3i1o n ILE 85 Cb 0.51 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.36 3i1o n ILE 85 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3i1o n ARG 86 N 0.00 2.16 -4.29 6.28 5.12 -1.26 -4.76 116.66 119.92 3i1o n ARG 86 Ca 0.00 0.79 -0.23 0.00 -1.93 0.00 0.00 57.85 56.48 3i1o n ARG 86 Cb 0.00 -2.59 -0.13 0.00 -1.16 0.00 0.00 32.46 28.59 3i1o n ARG 86 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3i1o s SER 87 N 2.24 2.31 -0.16 0.55 1.04 -1.26 -2.23 113.70 116.19 3i1o s SER 87 Ca 0.85 -0.65 -0.07 0.00 0.48 0.00 0.00 55.95 56.56 3i1o s SER 87 Cb -0.68 -0.12 0.06 0.00 0.10 0.00 0.00 66.02 65.38 3i1o s SER 87 CO 0.44 0.04 0.35 -0.32 0.98 0.00 0.00 173.24 174.72 3i1o s MET 88 N -1.79 0.30 -0.24 4.02 0.00 -0.51 -5.03 119.30 116.05 3i1o s MET 88 Ca 0.04 0.79 0.02 0.00 0.00 0.00 0.00 55.69 56.55 3i1o s MET 88 Cb -0.10 0.04 0.06 0.00 0.00 0.00 0.00 34.83 34.83 3i1o s MET 88 CO 0.03 -0.20 -0.10 0.54 0.00 0.00 0.00 175.02 175.29 3i1o s VAL 89 N 1.84 1.98 0.52 10.11 0.11 -1.26 -1.58 120.40 132.12 3i1o s VAL 89 Ca -0.06 -1.45 0.04 0.00 -2.93 0.00 0.00 61.98 57.58 3i1o s VAL 89 Cb -0.10 -2.10 0.04 0.00 -1.53 0.00 0.00 36.38 32.68 3i1o s VAL 89 CO -0.11 0.01 0.72 -0.04 -3.33 0.00 0.00 175.10 172.35 3i1o s MET 90 N 1.20 2.56 0.78 1.54 1.00 -0.41 -4.92 119.30 121.04 3i1o s MET 90 Ca -0.07 -1.04 -0.06 0.00 0.00 0.00 0.00 55.69 54.52 3i1o s MET 90 Cb -0.19 -2.59 0.13 0.00 0.00 0.00 0.00 34.83 32.18 3i1o s MET 90 CO -0.06 -0.62 1.08 -0.98 0.00 0.00 0.00 175.02 174.44 3i1o s ARG 91 N -4.63 1.51 0.00 2.03 1.70 -1.26 -1.97 118.95 116.32 3i1o s ARG 91 Ca 0.58 -0.79 0.00 0.00 -0.47 0.00 0.00 55.73 55.05 3i1o s ARG 91 Cb -0.09 -2.18 0.00 0.00 -0.57 0.00 0.00 34.95 32.10 3i1o s ARG 91 CO 0.37 -1.64 0.15 2.41 -1.08 0.00 0.00 175.30 175.50 3i1o n THR 92 N -3.07 0.00 -3.05 4.99 -1.04 -0.88 -4.39 114.28 106.83 3i1o n THR 92 Ca 0.14 0.63 -0.22 0.00 -2.04 0.00 0.00 64.05 62.56 3i1o n THR 92 Cb 0.60 -1.11 0.01 0.00 -1.82 0.00 0.00 70.33 68.02 3i1o n THR 92 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3i1o n LYS 93 N -0.31 -3.88 -1.32 -2.82 2.85 -1.26 -4.53 118.16 106.88 3i1o n LYS 93 Ca 0.00 0.72 0.00 0.00 -1.05 0.00 0.00 58.31 57.98 3i1o n LYS 93 Cb 0.00 -5.49 0.00 0.00 -0.65 0.00 0.00 35.03 28.89 3i1o n LYS 93 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 3i1o n HIS 94 N -4.16 -3.57 -1.70 5.58 -0.00 -1.26 -4.92 115.22 105.20 3i1o n HIS 94 Ca -0.09 1.89 -0.38 0.00 -0.00 0.00 0.00 57.72 59.13 3i1o n HIS 94 Cb 0.59 -3.07 0.05 0.00 -0.00 0.00 0.00 29.99 27.56 3i1o n HIS 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i1o n ALA 95 N -0.52 1.07 -2.52 1.57 0.00 -1.26 -5.02 120.51 113.83 3i1o n ALA 95 Ca 0.00 0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.27 3i1o n ALA 95 Cb 0.00 -2.27 -0.10 0.00 0.00 0.00 0.00 19.45 17.08 3i1o n ALA 95 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i1o s VAL 96 N -1.36 2.49 -0.07 0.00 1.01 -1.26 -5.14 120.40 116.08 3i1o s VAL 96 Ca 0.74 -2.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.48 3i1o s VAL 96 Cb -0.42 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.44 3i1o s VAL 96 CO 0.47 -0.29 0.01 -0.89 0.00 0.00 0.00 175.10 174.40 3i1o s THR 97 N -2.53 0.32 0.00 3.92 2.01 -1.26 -4.11 115.64 113.99 3i1o s THR 97 Ca 0.32 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.48 3i1o s THR 97 Cb -0.02 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 72.01 3i1o s THR 97 CO 0.17 0.25 0.00 -1.84 -0.69 0.00 0.00 174.62 172.51 3i1o n GLU 98 N 5.16 -0.00 0.00 4.92 -0.00 -1.26 -5.00 120.64 124.46 3i1o n GLU 98 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.10 3i1o n GLU 98 Cb 0.50 -0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.94 3i1o n GLU 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1o n ALA 99 N -0.01 0.00 -0.83 -1.84 0.00 -1.26 -5.09 120.51 111.48 3i1o n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1o n ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1o n ALA 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93