#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4g s THR 7 N 0.00 1.43 0.35 1.59 -4.23 -1.26 -4.88 115.64 108.64 1m4g s THR 7 Ca 0.00 -1.36 -0.11 0.00 -1.18 0.00 0.00 61.69 59.04 1m4g s THR 7 Cb 0.00 -1.31 -0.07 0.00 1.34 0.00 0.00 72.50 72.46 1m4g s THR 7 CO 0.00 -0.08 0.71 0.00 -0.54 0.00 0.00 174.62 174.71 1m4g s ALA 8 N -1.12 3.40 -0.05 3.99 0.00 -1.26 -4.79 121.76 121.92 1m4g s ALA 8 Ca 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 51.96 51.79 1m4g s ALA 8 Cb -0.10 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1m4g s ALA 8 CO 0.03 0.15 -0.02 0.50 0.00 0.00 0.00 175.76 176.42 1m4g s ARG 9 N -3.51 2.85 -0.21 0.00 6.06 0.13 -4.85 118.95 119.42 1m4g s ARG 9 Ca 0.51 -0.51 -0.09 0.00 -2.50 0.00 0.00 55.73 53.13 1m4g s ARG 9 Cb -0.10 -2.69 -0.05 0.00 0.06 0.00 0.00 34.95 32.17 1m4g s ARG 9 CO 0.27 0.67 0.12 -0.51 -2.50 0.00 0.00 175.30 173.34 1m4g s LEU 10 N -1.08 4.01 -0.05 -0.88 1.43 -1.26 -0.33 118.68 120.53 1m4g s LEU 10 Ca 0.15 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1m4g s LEU 10 Cb -0.11 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.08 1m4g s LEU 10 CO 0.04 0.12 -0.03 -0.69 0.23 0.00 0.00 176.35 176.03 1m4g s VAL 11 N 0.70 0.47 0.56 -1.59 1.01 0.31 -4.93 120.40 116.93 1m4g s VAL 11 Ca 0.06 -0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 1m4g s VAL 11 Cb -0.13 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 1m4g s VAL 11 CO 0.01 0.22 1.10 -2.28 0.00 0.00 0.00 175.10 174.16 1m4g s HIS 12 N 1.08 2.74 0.29 5.22 2.46 -1.26 -0.40 115.29 125.41 1m4g s HIS 12 Ca -0.09 1.55 0.03 0.00 0.47 0.00 0.00 55.06 57.02 1m4g s HIS 12 Cb -0.14 -3.21 0.68 0.00 -0.13 0.00 0.00 32.58 29.78 1m4g s HIS 12 CO -0.01 -1.44 1.74 1.15 -2.47 0.00 0.00 174.74 173.71 1m4g h THR 13 N 0.95 0.62 0.00 0.89 2.02 -1.55 0.17 112.91 116.02 1m4g h THR 13 Ca -0.49 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.49 1m4g h THR 13 Cb 1.25 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1m4g h THR 13 CO 0.57 0.11 0.00 0.00 0.37 0.00 0.00 175.52 176.56 1m4g n ALA 14 N -2.41 1.55 1.10 6.16 0.00 -1.26 -2.00 120.51 123.65 1m4g n ALA 14 Ca 0.21 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.86 1m4g n ALA 14 Cb 0.57 -1.35 0.27 0.00 0.00 0.00 0.00 19.45 18.94 1m4g n ALA 14 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1m4g n ASP 15 N -2.14 2.47 -4.72 0.00 8.00 0.04 -4.90 116.55 115.31 1m4g n ASP 15 Ca 0.02 -1.82 -0.40 0.00 0.71 0.00 0.00 54.79 53.30 1m4g n ASP 15 Cb 0.19 -0.04 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 1m4g n ASP 15 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1m4g s LEU 16 N -1.91 4.34 0.78 0.64 1.43 -0.85 -4.98 118.68 118.14 1m4g s LEU 16 Ca 0.33 1.32 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 1m4g s LEU 16 Cb 0.20 -3.21 0.06 0.00 0.03 0.00 0.00 46.19 43.27 1m4g s LEU 16 CO 0.31 -0.15 1.16 1.51 0.23 0.00 0.00 176.35 179.41 1m4g s ASP 17 N 0.82 4.75 0.39 2.29 1.47 -1.26 -4.78 116.67 120.36 1m4g s ASP 17 Ca 0.41 0.87 0.09 0.00 1.18 0.00 0.00 52.55 55.10 1m4g s ASP 17 Cb -0.19 -1.44 0.86 0.00 -0.34 0.00 0.00 42.92 41.81 1m4g s ASP 17 CO 0.21 -1.76 1.97 0.77 0.68 0.00 0.00 175.17 177.04 1m4g h SER 18 N -0.95 0.54 -0.14 2.11 4.64 -1.99 0.18 113.55 117.94 1m4g h SER 18 Ca -0.46 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 60.84 1m4g h SER 18 Cb 1.31 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1m4g h SER 18 CO 0.65 0.34 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.86 1m4g h GLU 19 N 0.61 0.25 -0.50 4.77 4.81 -1.99 -2.06 114.58 120.47 1m4g h GLU 19 Ca 0.29 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 1m4g h GLU 19 Cb 0.35 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1m4g h GLU 19 CO -0.09 0.52 -0.18 1.15 -0.73 0.00 0.00 179.01 179.68 1m4g h THR 20 N -0.04 1.27 -0.59 0.32 2.02 -1.76 -1.17 112.91 112.96 1m4g h THR 20 Ca 0.04 -1.34 -0.03 0.00 0.77 0.00 0.00 66.41 65.85 1m4g h THR 20 Cb 0.41 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1m4g h THR 20 CO 0.01 0.47 0.24 -0.09 0.37 0.00 0.00 175.52 176.52 1m4g h ARG 21 N 0.85 0.86 -0.19 6.66 2.43 -0.96 -0.86 114.38 123.16 1m4g h ARG 21 Ca 0.12 -0.13 -0.17 0.00 -0.81 0.00 0.00 59.98 58.99 1m4g h ARG 21 Cb 0.75 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1m4g h ARG 21 CO 0.06 0.70 -0.57 0.37 -1.51 0.00 0.00 179.97 179.02 1m4g h GLN 22 N 0.85 0.61 -0.61 0.20 4.15 -0.93 -1.64 115.11 117.73 1m4g h GLN 22 Ca 0.20 -0.39 -0.04 0.00 0.77 0.00 0.00 58.65 59.19 1m4g h GLN 22 Cb 0.16 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1m4g h GLN 22 CO -0.02 1.01 0.23 -0.44 -1.93 0.00 0.00 178.83 177.68 1m4g h ASP 23 N 0.46 0.86 -0.10 -0.69 3.32 -0.76 -1.13 116.42 118.37 1m4g h ASP 23 Ca 0.00 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1m4g h ASP 23 Cb 1.13 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1m4g h ASP 23 CO 0.11 0.81 0.02 0.40 -1.72 0.00 0.00 179.24 178.86 1m4g h ILE 24 N 0.86 1.21 -0.77 0.35 2.04 -1.03 0.20 117.51 120.37 1m4g h ILE 24 Ca 0.20 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 1m4g h ILE 24 Cb 0.23 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1m4g h ILE 24 CO -0.01 0.19 0.38 -0.09 0.00 0.00 0.00 178.15 178.61 1m4g h ARG 25 N -0.05 1.10 -0.30 2.37 2.43 -1.14 -0.87 114.38 117.92 1m4g h ARG 25 Ca 0.03 -0.16 -0.14 0.00 -0.81 0.00 0.00 59.98 58.90 1m4g h ARG 25 Cb 0.27 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1m4g h ARG 25 CO 0.00 0.85 -0.39 1.96 -1.51 0.00 0.00 179.97 180.88 1m4g h GLN 26 N 1.08 0.71 -0.11 0.20 4.20 -1.09 -0.85 115.11 119.26 1m4g h GLN 26 Ca 0.26 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 1m4g h GLN 26 Cb 0.10 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1m4g h GLN 26 CO -0.03 0.98 0.00 1.98 -0.67 0.00 0.00 178.83 181.09 1m4g h MET 27 N 0.59 0.19 -0.60 1.46 4.05 -0.59 -1.72 114.93 118.30 1m4g h MET 27 Ca 0.05 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1m4g h MET 27 Cb 0.93 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.68 1m4g h MET 27 CO 0.08 0.44 0.37 0.28 0.23 0.00 0.00 176.91 178.31 1m4g h VAL 28 N -0.08 1.17 -0.72 -5.77 2.07 -1.10 0.71 116.25 112.54 1m4g h VAL 28 Ca 0.03 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.19 1m4g h VAL 28 Cb 0.35 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1m4g h VAL 28 CO 0.01 0.18 0.47 0.74 0.02 0.00 0.00 177.57 178.98 1m4g h THR 29 N 0.82 1.16 -0.70 2.57 2.02 -1.07 -1.93 112.91 115.77 1m4g h THR 29 Ca 0.22 -0.32 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 1m4g h THR 29 Cb -0.03 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 1m4g h THR 29 CO -0.04 0.17 0.16 1.23 0.37 0.00 0.00 175.52 177.41 1m4g h GLY 30 N 0.95 1.22 1.53 2.16 0.00 -0.82 -0.73 103.07 107.37 1m4g h GLY 30 Ca 0.27 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1m4g h GLY 30 CO -0.07 0.72 0.27 0.00 0.00 0.00 0.00 176.54 177.45 1m4g h ALA 31 N 1.08 1.60 -0.29 3.60 0.00 -0.36 -1.16 119.26 123.72 1m4g h ALA 31 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1m4g h ALA 31 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1m4g h ALA 31 CO 0.00 0.35 0.00 1.19 0.00 0.00 0.00 179.25 180.79 1m4g n PHE 32 N -4.43 0.50 -3.82 0.00 3.72 -0.77 -4.91 117.46 107.75 1m4g n PHE 32 Ca 0.04 -0.22 -0.29 0.00 -0.05 0.00 0.00 57.45 56.92 1m4g n PHE 32 Cb 0.09 -0.05 0.02 0.00 -0.94 0.00 0.00 39.48 38.59 1m4g n PHE 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1m4g n ALA 33 N 0.36 -1.23 -0.06 4.37 0.00 -0.44 -1.13 120.51 122.39 1m4g n ALA 33 Ca 0.10 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1m4g n ALA 33 Cb 0.33 -4.22 0.00 0.00 0.00 0.00 0.00 19.45 15.57 1m4g n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m4g n GLY 34 N -1.60 1.74 2.81 0.00 0.00 -0.30 -4.95 105.19 102.88 1m4g n GLY 34 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1m4g n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1m4g n ASP 35 N 0.00 4.72 -3.16 1.61 2.03 -0.28 -4.69 116.55 116.77 1m4g n ASP 35 Ca 0.00 -3.02 0.03 0.00 0.52 0.00 0.00 54.79 52.32 1m4g n ASP 35 Cb 0.00 -1.54 -0.01 0.00 -0.72 0.00 0.00 41.12 38.85 1m4g n ASP 35 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1m4g s PHE 36 N 1.33 -1.69 0.71 -0.67 5.36 -1.26 -4.88 117.98 116.89 1m4g s PHE 36 Ca 0.42 1.32 -0.03 0.00 -0.96 0.00 0.00 56.93 57.69 1m4g s PHE 36 Cb 0.11 0.40 0.11 0.00 -0.34 0.00 0.00 43.02 43.30 1m4g s PHE 36 CO -0.03 -0.98 0.99 0.95 -1.46 0.00 0.00 175.22 174.69 1m4g s THR 37 N 2.82 2.23 0.26 0.12 -4.23 -1.26 -4.90 115.64 110.68 1m4g s THR 37 Ca 0.15 -0.50 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 1m4g s THR 37 Cb -0.12 -2.73 0.26 0.00 1.34 0.00 0.00 72.50 71.24 1m4g s THR 37 CO -0.24 0.00 1.90 -0.08 -0.54 0.00 0.00 174.62 175.67 1m4g h GLU 38 N -0.55 1.23 -0.03 3.99 4.57 -2.00 -0.50 114.58 121.28 1m4g h GLU 38 Ca -0.39 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 57.55 1m4g h GLU 38 Cb 1.28 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 1m4g h GLU 38 CO 0.45 0.81 -0.72 1.79 -1.18 0.00 0.00 179.01 180.16 1m4g h THR 39 N 1.26 1.45 -0.76 0.32 1.35 -1.94 -0.79 112.91 113.80 1m4g h THR 39 Ca 0.40 -2.29 -0.03 0.00 -0.55 0.00 0.00 66.41 63.94 1m4g h THR 39 Cb 0.01 2.22 -0.04 0.00 -1.73 0.00 0.00 68.15 68.62 1m4g h THR 39 CO -0.13 0.67 0.36 0.44 -0.25 0.00 0.00 175.52 176.61 1m4g h ASP 40 N 0.12 0.98 -0.55 5.36 3.32 -1.70 -0.37 116.42 123.59 1m4g h ASP 40 Ca -0.02 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.82 1m4g h ASP 40 Cb 1.28 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1m4g h ASP 40 CO 0.11 0.83 -0.06 -0.25 -1.72 0.00 0.00 179.24 178.15 1m4g h TRP 41 N 1.08 1.11 -0.10 4.55 2.91 -0.72 -2.72 115.95 122.06 1m4g h TRP 41 Ca 0.26 -0.21 -0.05 0.00 1.13 0.00 0.00 58.89 60.02 1m4g h TRP 41 Cb 0.11 -0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 28.47 1m4g h TRP 41 CO 0.01 1.02 -0.17 1.49 -1.03 0.00 0.00 178.44 179.76 1m4g h GLU 42 N 0.88 0.16 0.00 2.65 4.22 -0.63 -0.98 114.58 120.87 1m4g h GLU 42 Ca 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.55 1m4g h GLU 42 Cb 0.61 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1m4g h GLU 42 CO 0.04 0.33 0.00 0.72 -2.18 0.00 0.00 179.01 177.92 1m4g n HIS 43 N -4.27 0.66 1.13 0.92 8.25 -0.19 -2.03 115.22 119.68 1m4g n HIS 43 Ca -0.01 0.25 0.13 0.00 -0.26 0.00 0.00 57.72 57.82 1m4g n HIS 43 Cb 0.28 -0.90 0.36 0.00 1.12 0.00 0.00 29.99 30.84 1m4g n HIS 43 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1m4g n THR 44 N -2.09 0.00 -3.50 1.59 -2.24 -0.37 -4.85 114.28 102.81 1m4g n THR 44 Ca 0.03 -0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.40 1m4g n THR 44 Cb 0.24 0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.64 1m4g n THR 44 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1m4g s LEU 45 N -2.76 4.36 0.00 3.22 1.43 -0.86 -4.52 118.68 119.55 1m4g s LEU 45 Ca 0.18 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 1m4g s LEU 45 Cb 0.18 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.38 1m4g s LEU 45 CO 0.60 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.96 1m4g n GLY 46 N 0.98 1.57 0.00 -3.19 0.00 -1.26 -4.99 105.19 98.30 1m4g n GLY 46 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1m4g n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m4g n GLY 47 N -0.38 5.31 3.73 -0.02 0.00 -1.26 -4.83 105.19 107.73 1m4g n GLY 47 Ca 0.00 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 1m4g n GLY 47 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1m4g s MET 48 N 3.57 4.23 -0.21 1.61 -1.94 -0.70 -1.38 119.30 124.48 1m4g s MET 48 Ca 0.00 -0.04 -0.09 0.00 -1.71 0.00 0.00 55.69 53.85 1m4g s MET 48 Cb 0.00 -3.43 -0.05 0.00 2.01 0.00 0.00 34.83 33.37 1m4g s MET 48 CO 0.00 0.26 0.11 -1.01 -0.01 0.00 0.00 175.02 174.37 1m4g s HIS 49 N 0.44 3.29 -0.18 -0.03 4.02 0.46 -0.50 115.29 122.80 1m4g s HIS 49 Ca 0.13 0.14 -0.19 0.00 1.02 0.00 0.00 55.06 56.16 1m4g s HIS 49 Cb -0.12 -2.18 -0.03 0.00 -1.02 0.00 0.00 32.58 29.23 1m4g s HIS 49 CO 0.01 0.11 0.53 0.00 1.02 0.00 0.00 174.74 176.41 1m4g s ALA 50 N 0.73 3.52 -0.01 -1.40 0.00 0.95 -0.53 121.76 125.02 1m4g s ALA 50 Ca 0.06 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 51.72 1m4g s ALA 50 Cb -0.13 -2.81 -0.00 0.00 0.00 0.00 0.00 23.12 20.18 1m4g s ALA 50 CO 0.02 -0.37 -0.09 -0.51 0.00 0.00 0.00 175.76 174.81 1m4g s LEU 51 N 1.47 1.93 -0.09 0.00 1.43 0.55 -1.83 118.68 122.13 1m4g s LEU 51 Ca 0.25 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 1m4g s LEU 51 Cb -0.15 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.59 1m4g s LEU 51 CO 0.10 0.09 -0.21 -0.63 0.23 0.00 0.00 176.35 175.93 1m4g s ILE 52 N -0.06 1.80 0.17 -0.59 1.01 -0.63 -0.69 121.20 122.21 1m4g s ILE 52 Ca 0.01 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.87 1m4g s ILE 52 Cb -0.05 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 1m4g s ILE 52 CO -0.00 0.50 -0.05 0.26 0.00 0.00 0.00 174.94 175.65 1m4g s TRP 53 N 0.44 2.74 -0.21 3.97 0.51 -1.26 -0.69 118.94 124.43 1m4g s TRP 53 Ca -0.18 -0.18 -0.04 0.00 -2.12 0.00 0.00 56.10 53.59 1m4g s TRP 53 Cb -0.17 -1.34 0.09 0.00 -0.81 0.00 0.00 33.47 31.23 1m4g s TRP 53 CO 0.07 0.51 0.18 -1.58 -0.51 0.00 0.00 176.95 175.62 1m4g s HIS 54 N -1.66 -0.09 -1.33 -1.98 5.65 -0.01 -4.88 115.29 110.99 1m4g s HIS 54 Ca 0.26 -0.09 -0.02 0.00 0.25 0.00 0.00 55.06 55.46 1m4g s HIS 54 Cb -0.09 -0.53 0.01 0.00 -1.18 0.00 0.00 32.58 30.79 1m4g s HIS 54 CO 0.16 -0.62 0.78 0.72 -0.65 0.00 0.00 174.74 175.13 1m4g n HIS 55 N 5.30 -2.02 -0.95 3.88 8.25 -1.26 -1.85 115.22 126.57 1m4g n HIS 55 Ca -0.06 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 1m4g n HIS 55 Cb 0.48 -4.42 0.00 0.00 1.12 0.00 0.00 29.99 27.18 1m4g n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1m4g n GLY 56 N -1.57 0.79 3.50 -1.41 0.00 -1.26 -5.01 105.19 100.24 1m4g n GLY 56 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1m4g n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m4g s ALA 57 N -3.30 2.88 -0.11 4.61 0.00 -0.77 -5.08 121.76 119.99 1m4g s ALA 57 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 1m4g s ALA 57 Cb 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1m4g s ALA 57 CO 0.00 0.38 1.09 0.42 0.00 0.00 0.00 175.76 177.65 1m4g s ILE 58 N -0.16 4.57 -0.78 0.00 1.01 -1.26 -0.83 121.20 123.75 1m4g s ILE 58 Ca 0.02 1.86 0.09 0.00 0.00 0.00 0.00 60.65 62.62 1m4g s ILE 58 Cb -0.13 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 1m4g s ILE 58 CO 0.03 -0.03 0.56 2.30 0.00 0.00 0.00 174.94 177.80 1m4g n ILE 59 N 4.73 0.00 -3.60 2.92 -5.35 0.14 -4.91 119.36 113.28 1m4g n ILE 59 Ca 0.10 -0.38 -0.15 0.00 -0.27 0.00 0.00 62.75 62.05 1m4g n ILE 59 Cb 0.47 1.09 -0.07 0.00 -1.74 0.00 0.00 39.64 39.39 1m4g n ILE 59 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1m4g s ALA 60 N -1.42 -1.78 -0.06 -1.28 0.00 -1.11 -1.24 121.76 114.87 1m4g s ALA 60 Ca 0.07 1.84 -0.11 0.00 0.00 0.00 0.00 51.96 53.76 1m4g s ALA 60 Cb 0.07 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.35 1m4g s ALA 60 CO 0.26 -0.35 0.26 -1.58 0.00 0.00 0.00 175.76 174.36 1m4g s HIS 61 N -0.04 -0.20 -0.11 0.00 2.46 -0.15 -1.60 115.29 115.63 1m4g s HIS 61 Ca -0.03 0.44 -0.14 0.00 0.47 0.00 0.00 55.06 55.80 1m4g s HIS 61 Cb -0.04 0.07 0.03 0.00 -0.13 0.00 0.00 32.58 32.52 1m4g s HIS 61 CO 0.03 -0.25 0.36 0.00 -2.47 0.00 0.00 174.74 172.42 1m4g s ALA 62 N -0.59 -0.90 0.07 1.58 0.00 -0.76 -0.91 121.76 120.26 1m4g s ALA 62 Ca -0.07 0.91 0.09 0.00 0.00 0.00 0.00 51.96 52.89 1m4g s ALA 62 Cb -0.04 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1m4g s ALA 62 CO 0.02 -0.19 -0.24 0.00 0.00 0.00 0.00 175.76 175.35 1m4g s ALA 63 N -0.12 2.41 -0.19 0.00 0.00 -0.36 -0.03 121.76 123.47 1m4g s ALA 63 Ca -0.03 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.63 1m4g s ALA 63 Cb -0.03 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.58 1m4g s ALA 63 CO 0.01 0.55 -0.18 0.54 0.00 0.00 0.00 175.76 176.68 1m4g s VAL 64 N -0.93 2.01 0.19 0.00 0.11 0.35 -0.56 120.40 121.57 1m4g s VAL 64 Ca 0.14 -0.98 0.10 0.00 -2.93 0.00 0.00 61.98 58.30 1m4g s VAL 64 Cb -0.10 -1.86 -0.04 0.00 -1.53 0.00 0.00 36.38 32.84 1m4g s VAL 64 CO 0.05 0.47 -0.13 0.27 -3.33 0.00 0.00 175.10 172.43 1m4g s ILE 65 N 1.29 2.98 -0.03 7.04 -5.25 0.05 -1.72 121.20 125.57 1m4g s ILE 65 Ca 0.03 -1.79 -0.18 0.00 -0.99 0.00 0.00 60.65 57.73 1m4g s ILE 65 Cb -0.14 -2.48 -0.05 0.00 2.95 0.00 0.00 42.46 42.74 1m4g s ILE 65 CO -0.12 -0.14 0.49 -1.58 -1.79 0.00 0.00 174.94 171.80 1m4g s GLN 66 N -2.87 4.18 0.25 0.37 0.74 -1.26 0.21 119.66 121.27 1m4g s GLN 66 Ca 0.24 0.53 -0.04 0.00 0.05 0.00 0.00 55.36 56.15 1m4g s GLN 66 Cb -0.08 -3.32 0.02 0.00 1.10 0.00 0.00 33.01 30.73 1m4g s GLN 66 CO 0.14 0.45 0.39 2.89 -0.55 0.00 0.00 175.29 178.61 1m4g n ARG 67 N 2.59 0.56 -5.09 1.67 1.85 -0.58 -4.96 116.66 112.71 1m4g n ARG 67 Ca -0.10 -1.77 -0.32 0.00 -1.00 0.00 0.00 57.85 54.67 1m4g n ARG 67 Cb 0.52 1.83 -0.15 0.00 -1.05 0.00 0.00 32.46 33.61 1m4g n ARG 67 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1m4g s ARG 68 N -2.39 2.25 -0.10 2.89 1.81 -1.26 -0.59 118.95 121.56 1m4g s ARG 68 Ca 0.17 -0.85 0.03 0.00 -1.72 0.00 0.00 55.73 53.36 1m4g s ARG 68 Cb -0.01 -2.18 0.01 0.00 -0.45 0.00 0.00 34.95 32.31 1m4g s ARG 68 CO 0.12 0.58 -0.20 -0.51 -0.68 0.00 0.00 175.30 174.61 1m4g s LEU 69 N -0.73 1.95 -0.23 2.53 1.43 -0.80 -3.04 118.68 119.78 1m4g s LEU 69 Ca 0.11 -0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 1m4g s LEU 69 Cb -0.10 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 1m4g s LEU 69 CO 0.00 0.11 0.48 -0.63 0.23 0.00 0.00 176.35 176.54 1m4g s ILE 70 N 0.52 5.12 -0.07 -0.59 1.01 0.39 -0.42 121.20 127.15 1m4g s ILE 70 Ca -0.16 0.84 -0.01 0.00 0.00 0.00 0.00 60.65 61.32 1m4g s ILE 70 Cb -0.17 -3.80 0.03 0.00 0.01 0.00 0.00 42.46 38.53 1m4g s ILE 70 CO 0.06 0.15 -0.01 -0.47 0.00 0.00 0.00 174.94 174.67 1m4g s TYR 71 N 1.90 0.71 -1.49 3.97 5.04 -0.24 -1.29 117.35 125.95 1m4g s TYR 71 Ca 0.21 -0.20 -0.05 0.00 -2.44 0.00 0.00 57.07 54.59 1m4g s TYR 71 Cb -0.15 -0.79 0.05 0.00 0.35 0.00 0.00 41.96 41.41 1m4g s TYR 71 CO 0.09 -0.31 0.53 0.54 -1.34 0.00 0.00 175.55 175.06 1m4g n ARG 72 N 4.92 -3.30 -0.89 4.97 1.74 -1.26 -0.87 116.66 121.97 1m4g n ARG 72 Ca -0.11 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1m4g n ARG 72 Cb 0.50 -4.69 0.00 0.00 -1.02 0.00 0.00 32.46 27.25 1m4g n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m4g n GLY 73 N -1.84 0.46 3.54 -0.13 0.00 -1.26 -5.01 105.19 100.95 1m4g n GLY 73 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1m4g n GLY 73 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m4g s ASN 74 N -2.32 4.64 -0.80 1.61 0.01 -0.05 -5.05 114.94 112.98 1m4g s ASN 74 Ca 0.00 -0.08 -0.18 0.00 -0.71 0.00 0.00 52.86 51.89 1m4g s ASN 74 Cb 0.00 -1.38 0.14 0.00 0.41 0.00 0.00 41.25 40.42 1m4g s ASN 74 CO 0.00 0.29 0.92 0.00 -1.51 0.00 0.00 177.10 176.80 1m4g s ALA 75 N -0.39 3.53 0.22 0.60 0.00 -1.26 -1.08 121.76 123.39 1m4g s ALA 75 Ca 0.06 -2.69 -0.30 0.00 0.00 0.00 0.00 51.96 49.03 1m4g s ALA 75 Cb -0.12 -3.77 -0.09 0.00 0.00 0.00 0.00 23.12 19.14 1m4g s ALA 75 CO 0.02 -2.63 1.26 -0.51 0.00 0.00 0.00 175.76 173.90 1m4g s LEU 76 N 2.19 4.44 -0.45 0.00 1.43 0.44 -4.79 118.68 121.94 1m4g s LEU 76 Ca 0.23 2.39 -0.29 0.00 -1.03 0.00 0.00 54.13 55.43 1m4g s LEU 76 Cb -0.12 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.49 1m4g s LEU 76 CO -0.04 -0.45 1.42 -0.60 0.23 0.00 0.00 176.35 176.91 1m4g s ARG 77 N -0.52 3.49 -0.06 1.70 3.52 -1.26 -1.90 118.95 123.92 1m4g s ARG 77 Ca 0.53 0.81 0.03 0.00 -0.13 0.00 0.00 55.73 56.98 1m4g s ARG 77 Cb -0.36 -4.05 -0.02 0.00 -1.56 0.00 0.00 34.95 28.96 1m4g s ARG 77 CO 0.40 -1.67 -0.15 0.00 -0.81 0.00 0.00 175.30 173.06 1m4g s GLY 79 N -0.53 1.86 -0.19 0.00 0.00 -0.46 -1.53 107.32 106.47 1m4g s GLY 79 Ca 0.07 -1.18 -0.08 0.00 0.00 0.00 0.00 44.72 43.54 1m4g s GLY 79 CO 0.01 1.16 0.07 -0.47 0.00 0.00 0.00 173.10 173.88 1m4g s TYR 80 N 2.24 3.27 -0.23 1.90 5.04 0.13 -1.42 117.35 128.28 1m4g s TYR 80 Ca 0.15 0.09 -0.13 0.00 -2.44 0.00 0.00 57.07 54.74 1m4g s TYR 80 Cb -0.16 -2.10 -0.04 0.00 0.35 0.00 0.00 41.96 40.01 1m4g s TYR 80 CO 0.13 0.15 0.29 0.08 -1.34 0.00 0.00 175.55 174.86 1m4g s VAL 81 N 0.43 5.27 0.08 3.14 1.01 -0.43 -0.77 120.40 129.12 1m4g s VAL 81 Ca 0.04 0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.53 1m4g s VAL 81 Cb -0.12 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1m4g s VAL 81 CO 0.00 0.28 -0.16 -1.61 0.00 0.00 0.00 175.10 173.61 1m4g s GLU 82 N 1.30 0.92 -1.37 2.72 0.41 0.28 -4.67 118.70 118.28 1m4g s GLU 82 Ca 0.13 -1.03 0.00 0.00 -0.41 0.00 0.00 54.97 53.66 1m4g s GLU 82 Cb -0.14 -1.00 0.00 0.00 -1.78 0.00 0.00 34.13 31.21 1m4g s GLU 82 CO 0.07 0.22 0.00 0.41 -0.49 0.00 0.00 175.26 175.47 1m4g n GLY 83 N 1.18 -0.12 3.68 -1.39 0.00 -1.26 -1.22 105.19 106.06 1m4g n GLY 83 Ca -0.20 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1m4g n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m4g s VAL 84 N -2.77 3.36 -0.23 1.61 1.01 -1.25 -4.30 120.40 117.82 1m4g s VAL 84 Ca 0.00 0.73 -0.24 0.00 0.00 0.00 0.00 61.98 62.47 1m4g s VAL 84 Cb 0.00 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.98 1m4g s VAL 84 CO 0.00 -0.01 0.67 0.00 0.00 0.00 0.00 175.10 175.76 1m4g s ALA 85 N 2.81 -1.66 -0.07 5.51 0.00 -0.09 -5.01 121.76 123.26 1m4g s ALA 85 Ca 0.70 1.84 0.04 0.00 0.00 0.00 0.00 51.96 54.54 1m4g s ALA 85 Cb -0.36 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 21.76 1m4g s ALA 85 CO 0.30 -0.32 -0.18 0.08 0.00 0.00 0.00 175.76 175.63 1m4g s VAL 86 N 0.22 1.58 0.29 0.00 1.01 -1.26 -0.98 120.40 121.25 1m4g s VAL 86 Ca -0.01 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1m4g s VAL 86 Cb -0.04 -1.38 -0.13 0.00 0.00 0.00 0.00 36.38 34.82 1m4g s VAL 86 CO 0.02 0.45 1.29 -1.14 0.00 0.00 0.00 175.10 175.72 1m4g n ARG 87 N 3.50 1.93 -0.31 2.72 0.63 -0.37 -4.79 116.66 119.97 1m4g n ARG 87 Ca -0.20 0.68 0.14 0.00 -0.92 0.00 0.00 57.85 57.55 1m4g n ARG 87 Cb 0.52 -2.26 0.38 0.00 0.45 0.00 0.00 32.46 31.55 1m4g n ARG 87 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1m4g h ALA 88 N 3.15 1.84 0.00 5.13 0.00 -1.93 0.89 119.26 128.34 1m4g h ALA 88 Ca -0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1m4g h ALA 88 Cb 1.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1m4g h ALA 88 CO 0.68 -0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.37 1m4g n ASP 89 N -4.65 0.00 -0.72 0.00 5.75 -1.26 -2.97 116.55 112.70 1m4g n ASP 89 Ca 0.21 0.05 0.06 0.00 -0.01 0.00 0.00 54.79 55.10 1m4g n ASP 89 Cb 0.58 -0.33 0.17 0.00 -1.03 0.00 0.00 41.12 40.51 1m4g n ASP 89 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1m4g n TRP 90 N -1.33 0.50 -1.65 2.11 7.02 0.30 -5.04 117.44 119.35 1m4g n TRP 90 Ca 0.11 -0.47 -0.31 0.00 -1.02 0.00 0.00 57.50 55.81 1m4g n TRP 90 Cb 0.22 -0.02 0.04 0.00 -2.42 0.00 0.00 31.31 29.13 1m4g n TRP 90 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1m4g s ARG 91 N -1.00 3.04 -0.17 -0.99 0.52 -1.16 -3.95 118.95 115.24 1m4g s ARG 91 Ca 0.26 0.97 0.00 0.00 -0.52 0.00 0.00 55.73 56.44 1m4g s ARG 91 Cb 0.14 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.60 1m4g s ARG 91 CO 0.18 -1.02 0.00 0.41 0.02 0.00 0.00 175.30 174.89 1m4g n GLY 92 N -1.93 0.53 0.09 -3.53 0.00 -1.26 -4.90 105.19 94.18 1m4g n GLY 92 Ca 0.08 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.64 1m4g n GLY 92 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1m4g n GLN 93 N -2.69 2.17 -1.90 1.61 6.02 -1.25 -4.99 117.38 116.35 1m4g n GLN 93 Ca -0.02 -2.08 -0.18 0.00 -0.01 0.00 0.00 57.00 54.71 1m4g n GLN 93 Cb 0.09 -1.28 -0.05 0.00 1.02 0.00 0.00 30.24 30.02 1m4g n GLN 93 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1m4g n ARG 94 N -0.91 -1.36 0.23 -1.09 1.74 -1.26 -4.86 116.66 109.15 1m4g n ARG 94 Ca 0.09 1.03 0.06 0.00 -0.77 0.00 0.00 57.85 58.26 1m4g n ARG 94 Cb 0.47 -5.41 0.56 0.00 -1.02 0.00 0.00 32.46 27.05 1m4g n ARG 94 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1m4g h LEU 95 N 0.00 0.03 -1.72 0.55 3.38 -1.94 -1.56 115.31 114.05 1m4g h LEU 95 Ca -0.40 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1m4g h LEU 95 Cb 1.25 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1m4g h LEU 95 CO 0.53 0.12 -0.11 1.62 0.09 0.00 0.00 178.44 180.69 1m4g h VAL 96 N 0.03 1.10 -0.75 1.22 3.04 -1.95 -1.74 116.25 117.21 1m4g h VAL 96 Ca 0.01 -0.45 -0.06 0.00 -1.01 0.00 0.00 66.70 65.19 1m4g h VAL 96 Cb 0.16 1.20 -0.03 0.00 -2.01 0.00 0.00 31.29 30.61 1m4g h VAL 96 CO 0.01 0.13 0.23 -1.28 -1.01 0.00 0.00 177.57 175.65 1m4g h SER 97 N 0.04 1.09 -0.38 3.17 0.87 -1.67 -0.38 113.55 116.29 1m4g h SER 97 Ca 0.01 -0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 60.24 1m4g h SER 97 Cb 0.22 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1m4g h SER 97 CO 0.01 1.02 -0.20 0.00 -0.53 0.00 0.00 176.83 177.13 1m4g h ALA 98 N 1.12 0.82 -0.47 6.23 0.00 -1.36 0.09 119.26 125.69 1m4g h ALA 98 Ca 0.24 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1m4g h ALA 98 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1m4g h ALA 98 CO -0.01 0.65 0.31 -0.07 0.00 0.00 0.00 179.25 180.13 1m4g h LEU 99 N 0.76 0.55 -0.68 0.00 3.38 -0.82 -2.86 115.31 115.63 1m4g h LEU 99 Ca 0.11 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1m4g h LEU 99 Cb 0.74 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1m4g h LEU 99 CO 0.06 0.41 -0.64 -0.07 0.09 0.00 0.00 178.44 178.28 1m4g h LEU 100 N 0.64 0.08 -0.67 1.67 3.38 -0.84 -1.55 115.31 118.01 1m4g h LEU 100 Ca 0.17 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.15 1m4g h LEU 100 Cb -0.06 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 1m4g h LEU 100 CO -0.04 0.70 0.38 0.44 0.09 0.00 0.00 178.44 180.01 1m4g h ASP 101 N 0.05 0.56 -0.09 -0.43 3.32 -0.85 0.20 116.42 119.19 1m4g h ASP 101 Ca -0.01 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1m4g h ASP 101 Cb 1.15 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 1m4g h ASP 101 CO 0.09 0.36 -0.03 0.00 -1.72 0.00 0.00 179.24 177.94 1m4g h ALA 102 N 1.35 0.12 -0.71 3.45 0.00 -1.21 -1.94 119.26 120.31 1m4g h ALA 102 Ca 0.30 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1m4g h ALA 102 Cb 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1m4g h ALA 102 CO -0.18 -0.13 0.43 0.28 0.00 0.00 0.00 179.25 179.65 1m4g h VAL 103 N -0.18 1.04 -0.15 0.00 2.07 -1.09 -1.70 116.25 116.25 1m4g h VAL 103 Ca 0.02 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 1m4g h VAL 103 Cb 0.46 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1m4g h VAL 103 CO 0.01 0.15 -0.39 -0.33 0.02 0.00 0.00 177.57 177.03 1m4g h GLU 104 N 0.81 0.32 -0.53 1.57 5.08 -0.60 -0.69 114.58 120.55 1m4g h GLU 104 Ca 0.30 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1m4g h GLU 104 Cb 0.11 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1m4g h GLU 104 CO -0.15 0.67 0.15 0.37 -1.00 0.00 0.00 179.01 179.06 1m4g h GLN 105 N 0.27 0.83 -0.46 2.33 4.15 -0.79 -0.41 115.11 121.02 1m4g h GLN 105 Ca 0.03 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1m4g h GLN 105 Cb 0.82 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 1m4g h GLN 105 CO 0.06 0.77 0.29 0.28 -1.93 0.00 0.00 178.83 178.31 1m4g h VAL 106 N 0.73 1.13 -0.76 2.39 2.07 -0.88 -2.13 116.25 118.81 1m4g h VAL 106 Ca 0.17 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1m4g h VAL 106 Cb 0.30 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1m4g h VAL 106 CO -0.00 0.13 0.44 0.24 0.02 0.00 0.00 177.57 178.40 1m4g h MET 107 N 0.62 1.04 -0.07 1.57 2.86 -0.71 -0.84 114.93 119.41 1m4g h MET 107 Ca 0.17 -0.11 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1m4g h MET 107 Cb -0.03 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.40 1m4g h MET 107 CO -0.03 0.75 -0.26 0.00 1.06 0.00 0.00 176.91 178.43 1m4g h ARG 108 N 1.04 0.13 0.00 1.72 3.08 -0.81 -1.54 114.38 118.00 1m4g h ARG 108 Ca 0.27 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1m4g h ARG 108 Cb -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1m4g h ARG 108 CO -0.05 0.39 -0.51 0.78 -1.07 0.00 0.00 179.97 179.51 1m4g h GLY 109 N 0.91 0.00 0.00 0.04 0.00 -0.81 -3.42 103.07 99.79 1m4g h GLY 109 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1m4g h GLY 109 CO 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.40 1m4g n ALA 110 N -1.98 0.65 -2.46 3.60 0.00 -0.37 -5.10 120.51 114.85 1m4g n ALA 110 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.25 1m4g n ALA 110 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.84 1m4g n ALA 110 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1m4g s TYR 111 N -0.51 2.04 -0.02 0.00 2.02 -0.60 -5.01 117.35 115.27 1m4g s TYR 111 Ca 0.00 -0.72 0.12 0.00 -0.37 0.00 0.00 57.07 56.10 1m4g s TYR 111 Cb 0.00 -1.22 -0.17 0.00 -0.40 0.00 0.00 41.96 40.17 1m4g s TYR 111 CO 0.00 0.27 0.98 1.96 -1.57 0.00 0.00 175.55 177.19 1m4g h GLN 112 N 2.18 0.00 -2.20 -0.62 4.20 -1.24 -3.43 115.11 114.01 1m4g h GLN 112 Ca -0.41 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.28 1m4g h GLN 112 Cb 1.24 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.84 1m4g h GLN 112 CO 0.69 0.60 0.26 -0.48 -0.67 0.00 0.00 178.83 179.24 1m4g s LEU 113 N -6.26 -0.58 0.30 1.46 2.34 -1.21 -1.50 118.68 113.23 1m4g s LEU 113 Ca -0.01 0.46 0.05 0.00 0.06 0.00 0.00 54.13 54.68 1m4g s LEU 113 Cb 0.09 2.43 -0.02 0.00 -0.56 0.00 0.00 46.19 48.12 1m4g s LEU 113 CO 0.81 -0.66 0.44 -0.83 -1.06 0.00 0.00 176.35 175.05 1m4g s GLY 114 N -1.64 1.40 0.18 -3.48 0.00 -0.15 -1.35 107.32 102.28 1m4g s GLY 114 Ca -0.06 -1.28 -0.20 0.00 0.00 0.00 0.00 44.72 43.18 1m4g s GLY 114 CO 0.02 -1.24 0.57 0.00 0.00 0.00 0.00 173.10 172.46 1m4g s ALA 115 N -2.13 -1.30 0.05 3.20 0.00 -0.51 -0.87 121.76 120.20 1m4g s ALA 115 Ca 0.40 0.13 -0.28 0.00 0.00 0.00 0.00 51.96 52.20 1m4g s ALA 115 Cb -0.09 0.85 0.10 0.00 0.00 0.00 0.00 23.12 23.97 1m4g s ALA 115 CO 0.31 -0.80 1.11 -0.48 0.00 0.00 0.00 175.76 175.89 1m4g s LEU 116 N -2.81 -0.14 -0.27 0.00 0.05 -0.63 -1.31 118.68 113.56 1m4g s LEU 116 Ca 0.05 -0.23 0.02 0.00 0.05 0.00 0.00 54.13 54.02 1m4g s LEU 116 Cb -0.01 1.78 0.07 0.00 -2.05 0.00 0.00 46.19 45.97 1m4g s LEU 116 CO -0.07 -0.59 -0.04 -0.55 -0.55 0.00 0.00 176.35 174.55 1m4g s SER 117 N -2.87 4.31 0.05 1.48 0.15 -1.26 -0.85 113.70 114.71 1m4g s SER 117 Ca 0.12 -1.53 -0.20 0.00 0.70 0.00 0.00 55.95 55.05 1m4g s SER 117 Cb 0.01 -1.40 -0.06 0.00 -1.71 0.00 0.00 66.02 62.86 1m4g s SER 117 CO -0.02 -0.27 0.57 -0.55 1.20 0.00 0.00 173.24 174.18 1m4g s SER 118 N 1.18 7.04 0.57 5.45 0.15 0.56 -4.97 113.70 123.68 1m4g s SER 118 Ca -0.02 1.23 -0.19 0.00 0.70 0.00 0.00 55.95 57.67 1m4g s SER 118 Cb -0.19 -2.36 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 1m4g s SER 118 CO -0.07 0.23 1.21 -0.94 1.20 0.00 0.00 173.24 174.87 1m4g s SER 119 N -0.85 5.31 0.42 5.45 1.04 -1.26 -4.81 113.70 119.00 1m4g s SER 119 Ca 0.29 2.41 0.10 0.00 0.48 0.00 0.00 55.95 59.23 1m4g s SER 119 Cb -0.19 -2.60 0.93 0.00 0.10 0.00 0.00 66.02 64.26 1m4g s SER 119 CO 0.18 -1.51 2.02 0.00 0.98 0.00 0.00 173.24 174.91 1m4g h ALA 120 N 1.06 1.84 0.00 5.32 0.00 -1.98 -2.23 119.26 123.27 1m4g h ALA 120 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1m4g h ALA 120 Cb 1.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1m4g h ALA 120 CO 0.56 0.09 0.00 2.89 0.00 0.00 0.00 179.25 182.79 1m4g n ARG 121 N -4.48 0.19 0.00 0.00 1.85 -1.26 -2.40 116.66 110.57 1m4g n ARG 121 Ca 0.06 0.48 0.09 0.00 -1.00 0.00 0.00 57.85 57.48 1m4g n ARG 121 Cb 0.20 -1.91 -0.03 0.00 -1.05 0.00 0.00 32.46 29.67 1m4g n ARG 121 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1m4g n ALA 122 N -1.79 3.63 -0.28 2.89 0.00 -0.84 -4.58 120.51 119.53 1m4g n ALA 122 Ca 0.01 -0.56 -0.05 0.00 0.00 0.00 0.00 53.44 52.85 1m4g n ALA 122 Cb 0.19 -0.66 0.07 0.00 0.00 0.00 0.00 19.45 19.05 1m4g n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1m4g h ARG 123 N 1.47 1.02 -0.60 0.00 3.08 -1.46 -1.49 114.38 116.40 1m4g h ARG 123 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1m4g h ARG 123 Cb 0.57 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1m4g h ARG 123 CO 0.00 0.69 0.38 0.00 -1.07 0.00 0.00 179.97 179.97 1m4g h ARG 124 N 1.04 0.81 0.02 0.04 3.08 -1.81 -0.49 114.38 117.07 1m4g h ARG 124 Ca 0.28 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.29 1m4g h ARG 124 Cb -0.09 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.76 1m4g h ARG 124 CO -0.06 0.56 -0.14 1.25 -1.07 0.00 0.00 179.97 180.51 1m4g h LEU 125 N 0.81 -0.41 -0.45 3.04 5.85 -1.70 -0.24 115.31 122.21 1m4g h LEU 125 Ca 0.22 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1m4g h LEU 125 Cb -0.05 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1m4g h LEU 125 CO -0.04 -0.20 0.16 1.88 -0.34 0.00 0.00 178.44 179.90 1m4g h TYR 126 N -0.25 0.71 -0.83 1.25 0.05 -1.08 -2.50 116.97 114.32 1m4g h TYR 126 Ca 0.04 -0.06 0.03 0.00 0.05 0.00 0.00 58.73 58.80 1m4g h TYR 126 Cb 0.30 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 37.78 1m4g h TYR 126 CO -0.19 0.62 0.53 0.00 -1.05 0.00 0.00 178.16 178.07 1m4g h ALA 127 N 1.01 1.09 -0.03 3.88 0.00 -0.99 -1.48 119.26 122.74 1m4g h ALA 127 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1m4g h ALA 127 Cb 0.22 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1m4g h ALA 127 CO -0.01 0.35 0.04 0.66 0.00 0.00 0.00 179.25 180.29 1m4g h SER 128 N 1.02 0.00 -0.26 0.00 4.64 -0.59 -0.96 113.55 117.40 1m4g h SER 128 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1m4g h SER 128 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1m4g h SER 128 CO -0.12 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.38 1m4g n ARG 129 N -3.83 2.04 0.00 4.77 1.74 -0.67 -4.93 116.66 115.79 1m4g n ARG 129 Ca -0.02 -1.57 0.00 0.00 -0.77 0.00 0.00 57.85 55.49 1m4g n ARG 129 Cb 0.12 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1m4g n ARG 129 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m4g n GLY 130 N 1.27 0.77 3.81 -0.13 0.00 -0.36 -5.08 105.19 105.47 1m4g n GLY 130 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1m4g n GLY 130 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1m4g s TRP 131 N -2.00 3.30 -0.12 1.61 0.52 -0.65 -4.81 118.94 116.79 1m4g s TRP 131 Ca 0.00 1.63 0.00 0.00 0.02 0.00 0.00 56.10 57.75 1m4g s TRP 131 Cb 0.00 -2.92 -0.02 0.00 -1.15 0.00 0.00 33.47 29.39 1m4g s TRP 131 CO 0.00 -0.23 -0.12 -0.51 0.02 0.00 0.00 176.95 176.10 1m4g s LEU 132 N -3.06 2.78 0.15 2.99 1.43 0.49 -4.18 118.68 119.29 1m4g s LEU 132 Ca 0.61 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.13 1m4g s LEU 132 Cb -0.12 -1.62 -0.07 0.00 0.03 0.00 0.00 46.19 44.41 1m4g s LEU 132 CO 0.17 0.20 1.08 -2.16 0.23 0.00 0.00 176.35 175.87 1m4g s PRO 133 N 0.13 4.60 0.12 1.29 0.04 -1.26 -0.69 135.00 139.23 1m4g s PRO 133 Ca -0.06 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 1m4g s PRO 133 Cb -0.15 -3.30 -0.06 0.00 0.04 0.00 0.00 34.50 31.03 1m4g s PRO 133 CO 0.04 0.08 1.00 -0.46 0.04 0.00 0.00 177.00 177.70 1m4g s TRP 134 N -0.10 3.75 -0.04 0.56 -0.11 0.76 -4.92 118.94 118.84 1m4g s TRP 134 Ca 0.49 1.74 0.13 0.00 1.22 0.00 0.00 56.10 59.69 1m4g s TRP 134 Cb -0.28 -3.12 -0.20 0.00 -1.50 0.00 0.00 33.47 28.37 1m4g s TRP 134 CO 0.33 -0.02 0.25 0.72 -4.62 0.00 0.00 176.95 173.61 1m4g n HIS 135 N 2.75 0.00 -1.68 5.86 8.25 0.61 -4.45 115.22 126.56 1m4g n HIS 135 Ca 0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.20 1m4g n HIS 135 Cb 0.48 -0.38 0.14 0.00 1.12 0.00 0.00 29.99 31.36 1m4g n HIS 135 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1m4g s GLY 136 N -3.77 1.61 0.22 -1.41 0.00 -0.64 -4.89 107.32 98.45 1m4g s GLY 136 Ca -0.05 -0.70 -0.30 0.00 0.00 0.00 0.00 44.72 43.67 1m4g s GLY 136 CO 0.56 -0.11 1.31 2.56 0.00 0.00 0.00 173.10 177.42 1m4g s PRO 137 N -5.48 4.39 0.12 2.90 0.04 -1.26 -4.87 135.00 130.84 1m4g s PRO 137 Ca 0.65 2.08 -0.03 0.00 0.04 0.00 0.00 61.00 63.74 1m4g s PRO 137 Cb -0.12 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.20 1m4g s PRO 137 CO 0.52 -0.23 0.33 0.95 0.04 0.00 0.00 177.00 178.61 1m4g s THR 138 N -0.12 5.23 0.26 1.26 -4.23 -1.26 -2.52 115.64 114.27 1m4g s THR 138 Ca 0.55 -0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.95 1m4g s THR 138 Cb -0.37 -3.63 -0.02 0.00 1.34 0.00 0.00 72.50 69.82 1m4g s THR 138 CO 0.40 0.07 0.28 -0.44 -0.54 0.00 0.00 174.62 174.39 1m4g s SER 139 N -2.46 0.61 0.01 3.99 0.01 -0.58 -1.13 113.70 114.16 1m4g s SER 139 Ca 0.39 -1.42 0.03 0.00 1.31 0.00 0.00 55.95 56.26 1m4g s SER 139 Cb -0.12 0.51 -0.01 0.00 0.21 0.00 0.00 66.02 66.60 1m4g s SER 139 CO 0.26 -1.02 -0.09 0.54 0.41 0.00 0.00 173.24 173.33 1m4g s VAL 140 N -3.77 0.73 -0.98 3.43 0.11 0.22 -1.26 120.40 118.88 1m4g s VAL 140 Ca 0.35 -0.61 -0.18 0.00 -2.93 0.00 0.00 61.98 58.61 1m4g s VAL 140 Cb 0.03 -0.66 0.13 0.00 -1.53 0.00 0.00 36.38 34.36 1m4g s VAL 140 CO 0.17 0.05 1.20 -0.22 -3.33 0.00 0.00 175.10 172.97 1m4g s LEU 141 N -0.63 4.97 0.82 2.54 2.96 -0.07 -1.20 118.68 128.08 1m4g s LEU 141 Ca 0.01 -2.18 -0.12 0.00 -0.22 0.00 0.00 54.13 51.61 1m4g s LEU 141 Cb -0.05 -2.41 0.08 0.00 0.50 0.00 0.00 46.19 44.31 1m4g s LEU 141 CO 0.00 -1.03 1.13 0.00 -1.32 0.00 0.00 176.35 175.13 1m4g s ALA 142 N 2.61 2.30 0.66 5.97 0.00 -0.91 -3.58 121.76 128.82 1m4g s ALA 142 Ca 0.35 -0.42 0.43 0.00 0.00 0.00 0.00 51.96 52.33 1m4g s ALA 142 Cb -0.04 -3.04 2.38 0.00 0.00 0.00 0.00 23.12 22.42 1m4g s ALA 142 CO -0.08 -1.78 2.35 -1.35 0.00 0.00 0.00 175.76 174.90 1m4g h PRO 143 N -1.13 0.00 -0.01 0.00 0.11 -2.01 0.78 132.00 129.74 1m4g h PRO 143 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1m4g h PRO 143 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1m4g h PRO 143 CO 0.62 0.00 -0.52 0.25 -0.21 0.00 0.00 178.00 178.14 1m4g n THR 144 N -3.12 0.00 0.00 -1.15 -2.24 -1.26 -5.06 114.28 101.44 1m4g n THR 144 Ca -0.03 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1m4g n THR 144 Cb 0.08 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1m4g n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1m4g n GLY 145 N 1.43 0.82 3.70 3.38 0.00 0.26 -5.06 105.19 109.73 1m4g n GLY 145 Ca 0.08 -2.23 -0.44 0.00 0.00 0.00 0.00 46.02 43.43 1m4g n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1m4g n PRO 146 N -1.01 2.39 -4.15 1.61 -0.02 -1.26 -2.13 135.00 130.42 1m4g n PRO 146 Ca 0.00 0.85 -0.19 0.00 -2.02 0.00 0.00 63.50 62.14 1m4g n PRO 146 Cb 0.00 -2.61 -0.16 0.00 -0.02 0.00 0.00 33.50 30.71 1m4g n PRO 146 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1m4g s VAL 147 N 0.38 0.48 0.60 -1.45 1.01 -0.34 -4.90 120.40 116.18 1m4g s VAL 147 Ca 0.70 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.38 1m4g s VAL 147 Cb -0.59 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1m4g s VAL 147 CO 0.44 0.20 1.21 -0.13 0.00 0.00 0.00 175.10 176.81 1m4g s ARG 148 N 0.76 2.93 -0.59 2.72 1.81 -1.26 -0.61 118.95 124.71 1m4g s ARG 148 Ca -0.10 1.81 0.06 0.00 -1.72 0.00 0.00 55.73 55.79 1m4g s ARG 148 Cb -0.13 -1.92 0.26 0.00 -0.45 0.00 0.00 34.95 32.71 1m4g s ARG 148 CO 0.00 -1.24 0.73 0.25 -0.68 0.00 0.00 175.30 174.36 1m4g n THR 149 N -1.67 1.85 0.16 0.02 -2.24 -0.28 -4.82 114.28 107.30 1m4g n THR 149 Ca 0.14 -5.03 0.06 0.00 -2.27 0.00 0.00 64.05 56.95 1m4g n THR 149 Cb 0.50 -1.98 0.55 0.00 -2.10 0.00 0.00 70.33 67.29 1m4g n THR 149 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1m4g h PRO 150 N 4.02 0.22 0.00 -0.78 0.13 -1.94 -1.61 132.00 132.04 1m4g h PRO 150 Ca 0.17 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1m4g h PRO 150 Cb 0.69 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 1m4g h PRO 150 CO 0.77 0.15 -0.02 -0.44 -0.23 0.00 0.00 178.00 178.23 1m4g h ASP 151 N 0.22 0.00 0.09 1.44 3.32 -1.97 -2.27 116.42 117.24 1m4g h ASP 151 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1m4g h ASP 151 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1m4g h ASP 151 CO -0.01 0.02 -0.39 0.47 -1.72 0.00 0.00 179.24 177.60 1m4g n ASP 152 N -3.68 1.61 -4.76 6.45 8.00 -0.61 -4.94 116.55 118.61 1m4g n ASP 152 Ca -0.03 -1.25 -0.41 0.00 0.71 0.00 0.00 54.79 53.80 1m4g n ASP 152 Cb 0.10 0.34 -0.01 0.00 -0.02 0.00 0.00 41.12 41.54 1m4g n ASP 152 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1m4g s ASP 153 N -2.49 6.34 0.00 -2.24 1.01 -0.86 -1.78 116.67 116.64 1m4g s ASP 153 Ca 0.21 3.01 0.00 0.00 0.71 0.00 0.00 52.55 56.48 1m4g s ASP 153 Cb 0.19 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1m4g s ASP 153 CO 0.55 -0.92 0.00 0.61 0.21 0.00 0.00 175.17 175.62 1m4g n GLY 154 N 1.58 1.14 0.00 0.21 0.00 -1.26 -4.86 105.19 102.01 1m4g n GLY 154 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 1m4g n GLY 154 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m4g n THR 155 N -2.00 0.00 -3.04 2.61 -2.24 -0.73 -4.98 114.28 103.90 1m4g n THR 155 Ca 0.00 -0.26 -0.40 0.00 -2.27 0.00 0.00 64.05 61.13 1m4g n THR 155 Cb 0.00 0.71 -0.05 0.00 -2.10 0.00 0.00 70.33 68.89 1m4g n THR 155 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1m4g s VAL 156 N -2.15 4.71 0.05 2.28 1.01 -1.25 -0.32 120.40 124.73 1m4g s VAL 156 Ca 0.01 1.55 0.06 0.00 0.00 0.00 0.00 61.98 63.59 1m4g s VAL 156 Cb 0.06 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1m4g s VAL 156 CO 0.36 0.41 -0.17 -0.36 0.00 0.00 0.00 175.10 175.34 1m4g s PHE 157 N -0.30 1.49 0.13 5.22 0.40 -0.03 -0.17 117.98 124.73 1m4g s PHE 157 Ca 0.36 -0.37 0.06 0.00 -0.60 0.00 0.00 56.93 56.38 1m4g s PHE 157 Cb -0.20 -0.88 -0.04 0.00 0.51 0.00 0.00 43.02 42.41 1m4g s PHE 157 CO 0.22 0.07 -0.14 0.14 0.70 0.00 0.00 175.22 176.21 1m4g s VAL 158 N -0.86 1.37 -0.32 -0.44 -7.23 0.14 -1.60 120.40 111.45 1m4g s VAL 158 Ca 0.04 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1m4g s VAL 158 Cb -0.08 -1.61 0.10 0.00 0.56 0.00 0.00 36.38 35.35 1m4g s VAL 158 CO 0.02 -0.45 0.08 -0.22 -0.31 0.00 0.00 175.10 174.21 1m4g s LEU 159 N -2.58 3.31 0.29 1.32 2.96 -0.05 -0.38 118.68 123.56 1m4g s LEU 159 Ca 0.11 -1.86 -0.29 0.00 -0.22 0.00 0.00 54.13 51.86 1m4g s LEU 159 Cb -0.04 -1.19 -0.10 0.00 0.50 0.00 0.00 46.19 45.36 1m4g s LEU 159 CO 0.03 -0.40 1.35 -2.84 -1.32 0.00 0.00 176.35 173.18 1m4g s PRO 160 N 1.31 4.32 0.00 0.98 0.02 -1.26 -0.98 135.00 139.39 1m4g s PRO 160 Ca 0.10 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1m4g s PRO 160 Cb -0.18 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.25 1m4g s PRO 160 CO -0.18 -0.28 0.00 -0.89 -0.33 0.00 0.00 177.00 175.32 1m4g n ILE 161 N 1.47 0.00 -1.41 2.83 2.08 -0.56 -4.86 119.36 118.91 1m4g n ILE 161 Ca 0.03 0.31 0.03 0.00 0.56 0.00 0.00 62.75 63.68 1m4g n ILE 161 Cb 0.41 -1.30 0.20 0.00 -0.75 0.00 0.00 39.64 38.20 1m4g n ILE 161 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1m4g n ASP 162 N -2.49 2.28 -3.84 4.38 5.68 -1.18 -4.99 116.55 116.39 1m4g n ASP 162 Ca 0.00 -3.65 -0.12 0.00 -0.50 0.00 0.00 54.79 50.52 1m4g n ASP 162 Cb 0.00 -0.55 -0.12 0.00 -1.14 0.00 0.00 41.12 39.30 1m4g n ASP 162 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1m4g s ILE 163 N -3.15 0.01 0.04 2.12 -5.25 -1.26 -5.11 121.20 108.60 1m4g s ILE 163 Ca 0.40 -0.12 -0.21 0.00 -0.99 0.00 0.00 60.65 59.73 1m4g s ILE 163 Cb 0.37 -0.21 -0.06 0.00 2.95 0.00 0.00 42.46 45.50 1m4g s ILE 163 CO -0.02 -0.07 0.62 -0.55 -1.79 0.00 0.00 174.94 173.14 1m4g s SER 164 N -0.17 7.06 0.03 4.36 0.15 -1.26 -4.77 113.70 119.11 1m4g s SER 164 Ca -0.02 1.27 0.09 0.00 0.70 0.00 0.00 55.95 57.98 1m4g s SER 164 Cb -0.02 -2.38 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 1m4g s SER 164 CO 0.00 0.16 -0.24 -0.76 1.20 0.00 0.00 173.24 173.60 1m4g s LEU 165 N -0.57 2.26 -0.59 3.45 1.43 -1.26 -5.06 118.68 118.34 1m4g s LEU 165 Ca 0.31 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 1m4g s LEU 165 Cb -0.19 -1.35 0.08 0.00 0.03 0.00 0.00 46.19 44.76 1m4g s LEU 165 CO 0.19 0.27 0.78 -0.62 0.23 0.00 0.00 176.35 177.20 1m4g s ASP 166 N -1.18 6.20 0.00 2.29 -1.08 -1.26 -4.92 116.67 116.72 1m4g s ASP 166 Ca 0.12 -1.08 0.04 0.00 -0.52 0.00 0.00 52.55 51.11 1m4g s ASP 166 Cb -0.10 -2.34 0.25 0.00 -1.46 0.00 0.00 42.92 39.27 1m4g s ASP 166 CO 0.02 -1.17 1.14 0.35 0.52 0.00 0.00 175.17 176.04 1m4g n THR 167 N 5.73 0.00 0.10 1.71 -2.24 -1.26 -2.56 114.28 115.76 1m4g n THR 167 Ca -0.06 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.78 1m4g n THR 167 Cb 0.44 -0.08 0.13 0.00 -2.10 0.00 0.00 70.33 68.72 1m4g n THR 167 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1m4g n SER 168 N -0.57 2.69 -4.81 3.42 7.64 -1.26 -0.29 113.62 120.44 1m4g n SER 168 Ca 0.03 -1.81 -0.29 0.00 1.01 0.00 0.00 58.87 57.81 1m4g n SER 168 Cb 0.01 -0.16 0.10 0.00 -1.01 0.00 0.00 64.21 63.15 1m4g n SER 168 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1m4g s ALA 169 N -1.04 2.68 0.68 -0.43 0.00 -1.06 -4.14 121.76 118.45 1m4g s ALA 169 Ca 0.22 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 51.28 1m4g s ALA 169 Cb 0.13 -2.87 0.01 0.00 0.00 0.00 0.00 23.12 20.38 1m4g s ALA 169 CO 0.18 -1.72 1.08 -1.21 0.00 0.00 0.00 175.76 174.09 1m4g s GLU 170 N -5.57 2.84 -0.05 0.00 2.02 -1.26 -4.06 118.70 112.62 1m4g s GLU 170 Ca 0.63 1.18 -0.02 0.00 0.02 0.00 0.00 54.97 56.78 1m4g s GLU 170 Cb -0.10 -1.97 0.04 0.00 0.10 0.00 0.00 34.13 32.20 1m4g s GLU 170 CO 0.49 -1.19 0.11 -1.17 0.02 0.00 0.00 175.26 173.51 1m4g s LEU 171 N -5.19 0.56 -0.15 1.80 2.96 -1.05 -4.57 118.68 113.04 1m4g s LEU 171 Ca 0.62 0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 54.74 1m4g s LEU 171 Cb -0.17 0.16 0.03 0.00 0.50 0.00 0.00 46.19 46.71 1m4g s LEU 171 CO 0.47 -0.18 -0.06 -0.32 -1.32 0.00 0.00 176.35 174.94 1m4g s MET 172 N 1.52 1.48 0.67 1.98 -2.45 -0.41 -1.53 119.30 120.57 1m4g s MET 172 Ca -0.05 -0.42 -0.08 0.00 -1.25 0.00 0.00 55.69 53.90 1m4g s MET 172 Cb -0.12 -1.85 0.04 0.00 1.25 0.00 0.00 34.83 34.14 1m4g s MET 172 CO -0.05 -0.37 1.01 0.00 1.05 0.00 0.00 175.02 176.66 1m4g s ASP 174 N -4.42 5.48 0.39 0.00 1.47 -1.17 -0.89 116.67 117.53 1m4g s ASP 174 Ca 0.58 0.46 -0.24 0.00 1.18 0.00 0.00 52.55 54.53 1m4g s ASP 174 Cb -0.11 -1.45 -0.09 0.00 -0.34 0.00 0.00 42.92 40.93 1m4g s ASP 174 CO 0.47 -1.07 1.03 0.86 0.68 0.00 0.00 175.17 177.13 1m4g s TRP 175 N -2.89 3.34 0.20 2.11 -0.11 -1.24 -4.74 118.94 115.62 1m4g s TRP 175 Ca 0.54 1.66 -0.23 0.00 1.22 0.00 0.00 56.10 59.29 1m4g s TRP 175 Cb -0.10 -3.08 0.05 0.00 -1.50 0.00 0.00 33.47 28.84 1m4g s TRP 175 CO 0.42 -0.47 0.90 -0.98 -4.62 0.00 0.00 176.95 172.21 1m4g s ARG 176 N -2.44 1.40 0.67 5.86 1.70 -1.26 -5.11 118.95 119.76 1m4g s ARG 176 Ca 0.56 -0.79 -0.08 0.00 -0.47 0.00 0.00 55.73 54.95 1m4g s ARG 176 Cb -0.21 0.47 0.03 0.00 -0.57 0.00 0.00 34.95 34.67 1m4g s ARG 176 CO 0.26 -0.64 1.01 0.00 -1.08 0.00 0.00 175.30 174.85 1m4g s ALA 177 N -3.33 3.09 0.00 7.88 0.00 -1.26 -4.67 121.76 123.47 1m4g s ALA 177 Ca 0.13 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1m4g s ALA 177 Cb -0.03 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.34 1m4g s ALA 177 CO 0.04 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.11 1m4g n GLY 178 N -2.85 1.43 3.67 0.00 0.00 -1.26 -4.60 105.19 101.58 1m4g n GLY 178 Ca 0.06 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 1m4g n GLY 178 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1m4g s ASP 179 N -4.00 6.96 0.28 1.61 1.01 -1.26 -4.88 116.67 116.38 1m4g s ASP 179 Ca 0.00 1.80 0.12 0.00 0.71 0.00 0.00 52.55 55.18 1m4g s ASP 179 Cb 0.00 -2.55 0.34 0.00 1.01 0.00 0.00 42.92 41.73 1m4g s ASP 179 CO 0.00 -0.71 1.59 -0.37 0.21 0.00 0.00 175.17 175.89 1m4g h VAL 180 N 5.28 1.33 -0.02 -1.27 -1.51 -1.83 -3.48 116.25 114.75 1m4g h VAL 180 Ca -0.31 -2.16 0.00 0.00 -1.23 0.00 0.00 66.70 63.01 1m4g h VAL 180 Cb 1.13 2.20 0.00 0.00 -2.13 0.00 0.00 31.29 32.49 1m4g h VAL 180 CO 0.93 0.60 0.00 0.79 -1.23 0.00 0.00 177.57 178.66