#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 s TYR 3 N 0.00 2.26 0.36 0.00 -0.85 -1.26 -5.10 117.35 112.77 3ag1 s TYR 3 Ca 0.00 -0.54 -0.28 0.00 -0.52 0.00 0.00 57.07 55.73 3ag1 s TYR 3 Cb 0.00 -1.26 -0.11 0.00 0.38 0.00 0.00 41.96 40.96 3ag1 s TYR 3 CO 0.00 0.51 1.45 -2.30 -1.52 0.00 0.00 175.55 173.69 3ag1 n PRO 4 N -0.71 2.55 -2.28 -3.49 -0.02 -1.26 -2.45 135.00 127.34 3ag1 n PRO 4 Ca -0.05 0.89 -0.20 0.00 -2.02 0.00 0.00 63.50 62.12 3ag1 n PRO 4 Cb 0.63 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 3ag1 n PRO 4 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3ag1 n MET 5 N 0.55 -1.61 -1.95 -0.52 2.81 -1.26 -4.98 117.12 110.17 3ag1 n MET 5 Ca 0.02 1.02 -0.41 0.00 -1.81 0.00 0.00 57.70 56.53 3ag1 n MET 5 Cb 0.38 -5.62 -0.02 0.00 -0.71 0.00 0.00 33.22 27.25 3ag1 n MET 5 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3ag1 s GLN 6 N -4.84 4.23 -0.24 0.03 0.74 -1.03 -4.97 119.66 113.58 3ag1 s GLN 6 Ca 0.00 2.39 0.04 0.00 0.05 0.00 0.00 55.36 57.84 3ag1 s GLN 6 Cb 0.00 -3.05 -0.19 0.00 1.10 0.00 0.00 33.01 30.87 3ag1 s GLN 6 CO 0.00 -0.42 -0.13 1.28 -0.55 0.00 0.00 175.29 175.47 3ag1 n LEU 7 N 1.48 2.48 0.00 3.68 4.77 -1.26 -5.08 117.00 123.07 3ag1 n LEU 7 Ca 0.04 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3ag1 n LEU 7 Cb 0.40 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3ag1 n LEU 7 CO 0.61 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 178.14 3ag1 n GLY 8 N 2.15 5.68 3.82 -0.72 0.00 -1.26 -5.11 105.19 109.75 3ag1 n GLY 8 Ca -0.43 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 3ag1 n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ag1 s PHE 9 N 1.26 3.19 0.33 1.61 0.40 -1.26 -5.01 117.98 118.50 3ag1 s PHE 9 Ca 0.00 1.50 -0.27 0.00 -0.60 0.00 0.00 56.93 57.56 3ag1 s PHE 9 Cb 0.00 -2.92 -0.13 0.00 0.51 0.00 0.00 43.02 40.48 3ag1 s PHE 9 CO 0.00 -0.75 1.06 1.04 0.70 0.00 0.00 175.22 177.26 3ag1 n GLN 10 N -1.72 1.49 -1.63 0.44 6.02 -1.26 -4.93 117.38 115.79 3ag1 n GLN 10 Ca 0.08 0.53 -0.45 0.00 -0.01 0.00 0.00 57.00 57.15 3ag1 n GLN 10 Cb 0.53 -1.97 -0.02 0.00 1.02 0.00 0.00 30.24 29.80 3ag1 n GLN 10 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3ag1 n ASP 11 N 0.99 2.02 -4.77 1.08 10.43 -1.26 -4.84 116.55 120.20 3ag1 n ASP 11 Ca 0.09 1.17 -0.38 0.00 2.57 0.00 0.00 54.79 58.24 3ag1 n ASP 11 Cb 0.34 -1.36 -0.00 0.00 1.84 0.00 0.00 41.12 41.94 3ag1 n ASP 11 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ag1 s ALA 12 N -0.71 3.01 -0.04 2.24 0.00 -1.26 -4.72 121.76 120.28 3ag1 s ALA 12 Ca 0.62 1.05 0.05 0.00 0.00 0.00 0.00 51.96 53.68 3ag1 s ALA 12 Cb -0.68 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 18.94 3ag1 s ALA 12 CO 0.57 -0.79 0.12 2.41 0.00 0.00 0.00 175.76 178.07 3ag1 n THR 13 N -0.43 0.00 -4.35 0.00 -1.04 0.42 -4.95 114.28 103.93 3ag1 n THR 13 Ca 0.07 -0.16 -0.24 0.00 -2.04 0.00 0.00 64.05 61.69 3ag1 n THR 13 Cb 0.47 0.49 -0.12 0.00 -1.82 0.00 0.00 70.33 69.35 3ag1 n THR 13 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ag1 s SER 14 N -2.36 2.87 0.21 8.00 1.04 -1.24 -1.17 113.70 121.05 3ag1 s SER 14 Ca -0.01 -0.83 -0.09 0.00 0.48 0.00 0.00 55.95 55.50 3ag1 s SER 14 Cb 0.03 -0.18 0.26 0.00 0.10 0.00 0.00 66.02 66.23 3ag1 s SER 14 CO 0.20 0.03 1.81 -0.65 0.98 0.00 0.00 173.24 175.60 3ag1 h PRO 15 N 3.39 0.67 -0.32 4.02 0.11 -1.94 -1.91 132.00 136.03 3ag1 h PRO 15 Ca -0.44 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.66 3ag1 h PRO 15 Cb 1.20 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3ag1 h PRO 15 CO 0.48 0.44 0.11 0.82 -0.21 0.00 0.00 178.00 179.64 3ag1 h ILE 16 N 0.69 0.91 -0.36 4.15 1.08 -1.93 -0.75 117.51 121.29 3ag1 h ILE 16 Ca 0.31 -0.08 0.03 0.00 -0.39 0.00 0.00 64.86 64.73 3ag1 h ILE 16 Cb 0.22 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 3ag1 h ILE 16 CO -0.20 0.04 0.24 -0.03 -0.69 0.00 0.00 178.15 177.52 3ag1 h MET 17 N 0.24 0.35 -0.49 2.37 4.05 -1.67 -1.53 114.93 118.25 3ag1 h MET 17 Ca 0.14 -0.02 -0.13 0.00 -0.28 0.00 0.00 59.70 59.41 3ag1 h MET 17 Cb 0.12 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 3ag1 h MET 17 CO -0.15 0.23 -0.21 1.49 0.23 0.00 0.00 176.91 178.50 3ag1 h GLU 18 N 0.36 1.01 -1.01 0.39 4.81 -0.51 -1.43 114.58 118.20 3ag1 h GLU 18 Ca 0.15 -0.43 0.03 0.00 -0.13 0.00 0.00 59.36 58.98 3ag1 h GLU 18 Cb 0.14 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 3ag1 h GLU 18 CO -0.03 1.11 0.66 1.49 -0.73 0.00 0.00 179.01 181.51 3ag1 h GLU 19 N 0.87 1.25 -0.26 1.92 4.57 -0.43 -2.55 114.58 119.96 3ag1 h GLU 19 Ca 0.11 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 58.11 3ag1 h GLU 19 Cb 0.80 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3ag1 h GLU 19 CO 0.07 0.83 -0.27 -0.07 -1.18 0.00 0.00 179.01 178.38 3ag1 h LEU 20 N 1.29 0.51 -0.46 1.64 3.38 -0.71 -1.55 115.31 119.41 3ag1 h LEU 20 Ca 0.40 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3ag1 h LEU 20 Cb -0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3ag1 h LEU 20 CO -0.12 0.77 0.29 -0.07 0.09 0.00 0.00 178.44 179.41 3ag1 h LEU 21 N 0.44 0.49 -0.23 1.67 3.38 -0.86 0.13 115.31 120.32 3ag1 h LEU 21 Ca 0.06 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 3ag1 h LEU 21 Cb 0.71 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.35 3ag1 h LEU 21 CO 0.05 0.35 -0.79 0.45 0.09 0.00 0.00 178.44 178.60 3ag1 h HIS 22 N 0.59 0.89 -0.62 1.13 3.86 -1.30 -0.72 115.15 118.98 3ag1 h HIS 22 Ca 0.18 -0.40 -0.05 0.00 -1.16 0.00 0.00 60.37 58.94 3ag1 h HIS 22 Cb -0.03 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 3ag1 h HIS 22 CO -0.06 1.21 0.18 0.35 0.86 0.00 0.00 177.93 180.48 3ag1 h PHE 23 N 0.44 1.00 -0.58 2.45 3.04 -1.16 -2.22 116.94 119.91 3ag1 h PHE 23 Ca -0.05 -0.10 -0.00 0.00 3.98 0.00 0.00 57.97 61.79 3ag1 h PHE 23 Cb 1.40 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 39.59 3ag1 h PHE 23 CO 0.07 0.83 0.36 1.25 -2.02 0.00 0.00 178.31 178.79 3ag1 h HIS 24 N 0.88 0.75 -0.22 0.41 2.76 -0.53 -1.02 115.15 118.20 3ag1 h HIS 24 Ca 0.20 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.40 3ag1 h HIS 24 Cb 0.30 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 28.98 3ag1 h HIS 24 CO 0.02 0.51 0.03 -0.44 -1.30 0.00 0.00 177.93 176.75 3ag1 h ASP 25 N 0.78 -0.02 -0.36 3.26 3.32 -0.81 -0.30 116.42 122.29 3ag1 h ASP 25 Ca 0.21 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.35 3ag1 h ASP 25 Cb -0.03 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 3ag1 h ASP 25 CO -0.04 0.02 0.05 -0.74 -1.72 0.00 0.00 179.24 176.81 3ag1 h HIS 26 N 0.11 0.08 -0.66 4.55 -0.00 -1.16 -2.25 115.15 115.82 3ag1 h HIS 26 Ca 0.10 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.43 3ag1 h HIS 26 Cb 0.10 0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 3ag1 h HIS 26 CO -0.16 -0.01 0.18 1.15 -0.00 0.00 0.00 177.93 179.10 3ag1 h THR 27 N 0.17 1.26 0.00 6.26 2.02 -0.92 -2.98 112.91 118.71 3ag1 h THR 27 Ca 0.17 -0.92 -0.09 0.00 0.77 0.00 0.00 66.41 66.35 3ag1 h THR 27 Cb 0.21 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3ag1 h THR 27 CO -0.24 0.35 -0.42 0.25 0.37 0.00 0.00 175.52 175.83 3ag1 h LEU 28 N 0.98 0.00 -0.24 2.58 5.85 -0.91 -1.94 115.31 121.62 3ag1 h LEU 28 Ca 0.21 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 3ag1 h LEU 28 Cb 0.34 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3ag1 h LEU 28 CO -0.00 0.42 0.05 -0.03 -0.34 0.00 0.00 178.44 178.54 3ag1 h MET 29 N 0.00 0.40 -0.52 1.25 4.05 -1.26 -0.15 114.93 118.70 3ag1 h MET 29 Ca -0.00 -0.10 0.08 0.00 -0.28 0.00 0.00 59.70 59.40 3ag1 h MET 29 Cb 0.85 -0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.54 3ag1 h MET 29 CO 0.05 0.51 0.15 0.82 0.23 0.00 0.00 176.91 178.68 3ag1 h ILE 30 N 0.22 0.77 -0.68 1.77 2.04 -1.37 0.71 117.51 120.97 3ag1 h ILE 30 Ca 0.08 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.84 3ag1 h ILE 30 Cb 0.30 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3ag1 h ILE 30 CO 0.00 0.06 0.44 0.58 0.00 0.00 0.00 178.15 179.23 3ag1 h VAL 31 N 0.31 1.14 -0.49 1.67 2.07 -1.13 0.13 116.25 119.96 3ag1 h VAL 31 Ca 0.26 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3ag1 h VAL 31 Cb 0.32 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3ag1 h VAL 31 CO -0.29 0.16 0.10 -0.26 0.02 0.00 0.00 177.57 177.30 3ag1 h PHE 32 N 0.88 0.84 0.11 1.57 0.05 -0.66 -1.25 116.94 118.49 3ag1 h PHE 32 Ca 0.26 -0.11 0.02 0.00 3.82 0.00 0.00 57.97 61.95 3ag1 h PHE 32 Cb -0.05 -0.23 -0.03 0.00 2.00 0.00 0.00 35.95 37.63 3ag1 h PHE 32 CO -0.03 0.76 -0.21 1.25 -0.18 0.00 0.00 178.31 179.90 3ag1 h LEU 33 N 0.68 -0.59 -0.78 1.54 5.85 -0.45 -2.01 115.31 119.55 3ag1 h LEU 33 Ca 0.15 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3ag1 h LEU 33 Cb 0.36 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3ag1 h LEU 33 CO 0.01 -0.30 0.30 0.40 -0.34 0.00 0.00 178.44 178.50 3ag1 h ILE 34 N -0.40 1.26 0.02 4.05 2.04 -0.70 -0.74 117.51 123.05 3ag1 h ILE 34 Ca 0.03 -0.84 -0.21 0.00 1.00 0.00 0.00 64.86 64.84 3ag1 h ILE 34 Cb 0.42 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3ag1 h ILE 34 CO -0.12 0.34 -0.95 0.77 0.00 0.00 0.00 178.15 178.19 3ag1 h SER 35 N 1.14 0.23 -0.25 1.72 4.64 -1.21 -1.61 113.55 118.21 3ag1 h SER 35 Ca 0.26 -0.20 -0.16 0.00 -0.47 0.00 0.00 61.79 61.22 3ag1 h SER 35 Cb 0.24 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3ag1 h SER 35 CO -0.02 1.05 -0.43 0.77 -0.87 0.00 0.00 176.83 177.33 3ag1 h SER 36 N 0.08 0.88 -0.11 4.97 4.64 -1.27 -1.46 113.55 121.28 3ag1 h SER 36 Ca -0.05 -0.42 0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3ag1 h SER 36 Cb 1.61 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 3ag1 h SER 36 CO 0.14 1.18 0.01 0.25 -0.87 0.00 0.00 176.83 177.55 3ag1 h LEU 37 N 0.65 -0.01 -0.60 5.97 5.85 -0.98 -0.70 115.31 125.50 3ag1 h LEU 37 Ca 0.04 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.85 3ag1 h LEU 37 Cb 1.01 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 3ag1 h LEU 37 CO 0.10 0.01 0.28 0.58 -0.34 0.00 0.00 178.44 179.07 3ag1 h VAL 38 N 0.06 0.89 -0.76 1.05 2.07 -1.22 -0.09 116.25 118.24 3ag1 h VAL 38 Ca 0.05 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 3ag1 h VAL 38 Cb 0.05 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 3ag1 h VAL 38 CO -0.07 0.10 0.29 0.25 0.02 0.00 0.00 177.57 178.16 3ag1 h LEU 39 N 0.52 1.06 0.02 2.57 5.85 -1.12 -1.36 115.31 122.84 3ag1 h LEU 39 Ca 0.28 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3ag1 h LEU 39 Cb 0.25 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3ag1 h LEU 39 CO -0.22 0.94 -0.01 0.22 -0.34 0.00 0.00 178.44 179.03 3ag1 h TYR 40 N 1.11 -0.03 -0.63 1.25 3.20 -0.50 -2.19 116.97 119.18 3ag1 h TYR 40 Ca 0.25 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.23 3ag1 h TYR 40 Cb 0.23 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.42 3ag1 h TYR 40 CO 0.02 0.39 0.18 0.82 -1.64 0.00 0.00 178.16 177.93 3ag1 h ILE 41 N -0.45 0.68 -0.27 1.81 2.04 -0.97 -1.16 117.51 119.20 3ag1 h ILE 41 Ca -0.00 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.79 3ag1 h ILE 41 Cb 0.43 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.78 3ag1 h ILE 41 CO 0.00 0.06 -0.02 0.40 0.00 0.00 0.00 178.15 178.60 3ag1 h ILE 42 N 0.33 0.79 -0.05 -0.67 2.04 -1.18 -0.84 117.51 117.93 3ag1 h ILE 42 Ca 0.33 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 66.10 3ag1 h ILE 42 Cb 0.47 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3ag1 h ILE 42 CO -0.37 0.01 -0.28 0.77 0.00 0.00 0.00 178.15 178.27 3ag1 h SER 43 N 0.06 0.09 -0.50 1.72 4.64 -0.68 -2.36 113.55 116.53 3ag1 h SER 43 Ca 0.13 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.32 3ag1 h SER 43 Cb 0.18 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3ag1 h SER 43 CO -0.23 0.37 -0.09 0.25 -0.87 0.00 0.00 176.83 176.26 3ag1 h LEU 44 N 0.08 0.94 -1.32 5.97 5.85 -0.74 -2.87 115.31 123.23 3ag1 h LEU 44 Ca 0.01 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3ag1 h LEU 44 Cb 0.55 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3ag1 h LEU 44 CO 0.04 1.06 0.00 0.24 -0.34 0.00 0.00 178.44 179.44 3ag1 h MET 45 N 0.79 0.00 -0.13 1.25 2.86 -0.64 -3.21 114.93 115.85 3ag1 h MET 45 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3ag1 h MET 45 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 3ag1 h MET 45 CO 0.04 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.29 3ag1 n LEU 46 N -2.84 2.35 -0.67 1.22 4.77 -1.07 -4.57 117.00 116.19 3ag1 n LEU 46 Ca 0.01 -1.31 0.05 0.00 -0.03 0.00 0.00 56.01 54.72 3ag1 n LEU 46 Cb 0.27 -0.08 0.20 0.00 -2.33 0.00 0.00 43.42 41.48 3ag1 n LEU 46 CO 0.25 0.50 0.58 0.35 -1.33 0.00 0.00 177.39 177.73 3ag1 n THR 47 N 0.68 2.23 -4.37 -5.08 -2.24 -1.14 -5.00 114.28 99.36 3ag1 n THR 47 Ca 0.09 -2.57 -0.19 0.00 -2.27 0.00 0.00 64.05 59.11 3ag1 n THR 47 Cb 0.35 -0.27 -0.14 0.00 -2.10 0.00 0.00 70.33 68.17 3ag1 n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3ag1 s THR 48 N -3.06 0.82 -1.03 4.28 -1.32 -1.26 -5.00 115.64 109.06 3ag1 s THR 48 Ca 0.39 -0.59 0.24 0.00 -1.21 0.00 0.00 61.69 60.52 3ag1 s THR 48 Cb 0.35 -0.72 0.21 0.00 -1.51 0.00 0.00 72.50 70.84 3ag1 s THR 48 CO 0.01 0.12 1.77 0.29 -2.21 0.00 0.00 174.62 174.60 3ag1 n LYS 49 N 2.53 0.02 -2.22 7.08 4.76 -1.26 -4.87 118.16 124.21 3ag1 n LYS 49 Ca -0.15 0.09 -0.38 0.00 -2.87 0.00 0.00 58.31 55.00 3ag1 n LYS 49 Cb 0.56 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.24 3ag1 n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ag1 s LEU 50 N -2.97 4.08 0.16 -0.35 1.43 -1.26 -5.01 118.68 114.75 3ag1 s LEU 50 Ca 0.12 2.38 0.02 0.00 -1.03 0.00 0.00 54.13 55.62 3ag1 s LEU 50 Cb 0.16 -4.14 -0.05 0.00 0.03 0.00 0.00 46.19 42.19 3ag1 s LEU 50 CO 0.43 -0.88 -0.01 0.42 0.23 0.00 0.00 176.35 176.54 3ag1 s THR 51 N -1.46 0.68 -0.34 5.49 -4.23 -1.26 -5.09 115.64 109.43 3ag1 s THR 51 Ca 0.61 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 3ag1 s THR 51 Cb -0.31 -2.04 0.19 0.00 1.34 0.00 0.00 72.50 71.68 3ag1 s THR 51 CO 0.38 -0.55 0.76 -2.28 -0.54 0.00 0.00 174.62 172.39 3ag1 s HIS 52 N -3.65 -1.34 -1.12 3.99 5.04 -1.26 -5.03 115.29 111.91 3ag1 s HIS 52 Ca 0.22 0.46 0.10 0.00 -1.54 0.00 0.00 55.06 54.31 3ag1 s HIS 52 Cb 0.06 0.24 0.04 0.00 0.04 0.00 0.00 32.58 32.96 3ag1 s HIS 52 CO 0.02 -0.85 0.73 0.25 -2.34 0.00 0.00 174.74 172.56 3ag1 n THR 53 N 4.68 0.00 -1.69 0.89 -2.24 -1.26 -4.97 114.28 109.69 3ag1 n THR 53 Ca 0.08 -0.44 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 3ag1 n THR 53 Cb 0.57 1.17 0.09 0.00 -2.10 0.00 0.00 70.33 70.07 3ag1 n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ag1 s SER 54 N -1.15 4.43 0.10 3.42 1.04 -1.26 -4.97 113.70 115.32 3ag1 s SER 54 Ca 0.10 1.07 -0.35 0.00 0.48 0.00 0.00 55.95 57.25 3ag1 s SER 54 Cb 0.09 -1.72 -0.18 0.00 0.10 0.00 0.00 66.02 64.30 3ag1 s SER 54 CO 0.20 -1.98 0.90 0.41 0.98 0.00 0.00 173.24 173.75 3ag1 n THR 55 N -3.41 0.84 -4.20 2.02 -1.04 -1.26 -5.03 114.28 102.20 3ag1 n THR 55 Ca 0.07 -0.21 -0.31 0.00 -2.04 0.00 0.00 64.05 61.56 3ag1 n THR 55 Cb 0.58 -0.15 -0.08 0.00 -1.82 0.00 0.00 70.33 68.86 3ag1 n THR 55 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3ag1 s MET 56 N -0.40 2.67 -0.26 -2.82 1.00 -1.26 -5.12 119.30 113.11 3ag1 s MET 56 Ca 0.79 -0.73 -0.24 0.00 0.00 0.00 0.00 55.69 55.50 3ag1 s MET 56 Cb -1.08 -2.60 -0.00 0.00 0.00 0.00 0.00 34.83 31.15 3ag1 s MET 56 CO 0.56 0.58 0.83 0.34 0.00 0.00 0.00 175.02 177.32 3ag1 s ASP 57 N -1.97 6.80 -0.09 3.03 2.15 -1.26 -4.98 116.67 120.35 3ag1 s ASP 57 Ca 0.23 0.97 -0.27 0.00 0.43 0.00 0.00 52.55 53.91 3ag1 s ASP 57 Cb -0.12 -2.43 -0.23 0.00 -0.30 0.00 0.00 42.92 39.84 3ag1 s ASP 57 CO 0.15 -0.54 0.95 0.00 -0.17 0.00 0.00 175.17 175.55 3ag1 h ALA 58 N 7.77 -0.01 -1.34 3.66 0.00 -2.03 -3.45 119.26 123.87 3ag1 h ALA 58 Ca -0.23 -0.39 -0.53 0.00 0.00 0.00 0.00 54.91 53.76 3ag1 h ALA 58 Cb 1.09 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 3ag1 h ALA 58 CO 0.88 -0.10 1.15 -1.14 0.00 0.00 0.00 179.25 180.04 3ag1 s GLN 59 N -3.00 3.10 0.00 0.00 2.00 -1.26 -2.96 119.66 117.54 3ag1 s GLN 59 Ca -0.17 -0.16 0.00 0.00 -2.00 0.00 0.00 55.36 53.02 3ag1 s GLN 59 Cb -0.01 -4.37 0.00 0.00 0.80 0.00 0.00 33.01 29.43 3ag1 s GLN 59 CO 0.67 -2.31 0.00 -0.85 -0.50 0.00 0.00 175.29 172.30 3ag1 n GLU 60 N 9.28 0.00 0.30 1.67 -0.00 -1.26 -4.91 120.64 125.71 3ag1 n GLU 60 Ca 0.11 0.00 0.19 0.00 -0.00 0.00 0.00 57.16 57.46 3ag1 n GLU 60 Cb 0.50 0.00 0.86 0.00 -0.00 0.00 0.00 31.44 32.80 3ag1 n GLU 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 3ag1 h VAL 61 N 0.00 0.00 0.00 3.84 3.04 -1.83 -2.85 116.25 118.45 3ag1 h VAL 61 Ca 0.00 -0.34 -0.09 0.00 -1.01 0.00 0.00 66.70 65.26 3ag1 h VAL 61 Cb 0.00 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 3ag1 h VAL 61 CO 0.00 0.00 -0.42 -0.33 -1.01 0.00 0.00 177.57 175.81 3ag1 h GLU 62 N 0.00 0.00 -0.20 4.17 4.39 -1.90 -2.46 114.58 118.58 3ag1 h GLU 62 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ag1 h GLU 62 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 3ag1 h GLU 62 CO 0.00 0.42 0.13 1.15 -1.16 0.00 0.00 179.01 179.55 3ag1 h THR 63 N 0.00 1.04 0.11 1.13 2.02 -1.83 -3.02 112.91 112.36 3ag1 h THR 63 Ca -0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3ag1 h THR 63 Cb 1.22 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3ag1 h THR 63 CO 0.05 0.05 -0.09 0.40 0.37 0.00 0.00 175.52 176.30 3ag1 h ILE 64 N 0.26 0.79 0.00 3.11 1.08 -1.60 -1.52 117.51 119.63 3ag1 h ILE 64 Ca 0.07 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 3ag1 h ILE 64 Cb -0.02 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 3ag1 h ILE 64 CO -0.02 0.00 0.00 -2.67 -0.69 0.00 0.00 178.15 174.77 3ag1 n TRP 65 N -5.21 0.00 0.01 1.37 2.14 -1.07 -1.79 117.44 112.90 3ag1 n TRP 65 Ca -0.07 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.50 3ag1 n TRP 65 Cb 0.13 -0.08 0.00 0.00 -0.81 0.00 0.00 31.31 30.56 3ag1 n TRP 65 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 3ag1 n THR 66 N 0.09 0.10 0.22 -1.67 -1.04 -1.01 -4.64 114.28 106.33 3ag1 n THR 66 Ca 0.00 0.03 -0.15 0.00 -2.04 0.00 0.00 64.05 61.89 3ag1 n THR 66 Cb 0.19 -1.05 -0.07 0.00 -1.82 0.00 0.00 70.33 67.58 3ag1 n THR 66 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3ag1 h ILE 67 N 0.00 0.45 -0.27 12.58 1.08 -1.14 -2.66 117.51 127.55 3ag1 h ILE 67 Ca 0.00 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 3ag1 h ILE 67 Cb 0.46 0.45 -0.08 0.00 -3.07 0.00 0.00 36.82 34.59 3ag1 h ILE 67 CO 0.00 0.00 -0.52 -0.07 -0.69 0.00 0.00 178.15 176.87 3ag1 h LEU 68 N -0.62 -1.68 -2.23 1.44 4.07 -1.57 0.15 115.31 114.87 3ag1 h LEU 68 Ca -0.03 0.22 0.01 0.00 0.08 0.00 0.00 57.88 58.16 3ag1 h LEU 68 Cb 0.53 0.68 -0.00 0.00 1.08 0.00 0.00 40.66 42.95 3ag1 h LEU 68 CO 0.01 -0.43 0.04 -0.65 -1.08 0.00 0.00 178.44 176.32 3ag1 h PRO 69 N -0.47 0.00 -0.10 1.13 0.11 -1.78 -1.27 132.00 129.62 3ag1 h PRO 69 Ca 0.07 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 3ag1 h PRO 69 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3ag1 h PRO 69 CO -0.51 0.00 -0.24 0.00 -0.21 0.00 0.00 178.00 177.04 3ag1 h ALA 70 N 1.96 0.17 -0.85 -0.75 0.00 -0.85 -0.81 119.26 118.13 3ag1 h ALA 70 Ca 0.02 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.59 3ag1 h ALA 70 Cb 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3ag1 h ALA 70 CO -0.00 0.14 0.56 0.82 0.00 0.00 0.00 179.25 180.77 3ag1 h ILE 71 N -0.10 1.11 -0.31 0.00 2.04 -0.40 -2.44 117.51 117.40 3ag1 h ILE 71 Ca -0.00 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 3ag1 h ILE 71 Cb 0.84 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3ag1 h ILE 71 CO 0.05 0.19 -0.10 0.40 0.00 0.00 0.00 178.15 178.69 3ag1 h ILE 72 N 1.02 1.28 -0.22 -0.67 2.04 -0.91 -0.99 117.51 119.07 3ag1 h ILE 72 Ca 0.35 -1.16 0.05 0.00 1.00 0.00 0.00 64.86 65.10 3ag1 h ILE 72 Cb 0.10 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 3ag1 h ILE 72 CO -0.11 0.37 -0.11 -0.07 0.00 0.00 0.00 178.15 178.23 3ag1 h LEU 73 N 0.38 -0.37 -0.92 1.44 3.38 -0.94 -1.49 115.31 116.80 3ag1 h LEU 73 Ca 0.08 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.24 3ag1 h LEU 73 Cb 0.60 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 3ag1 h LEU 73 CO 0.04 -0.14 0.56 0.40 0.09 0.00 0.00 178.44 179.38 3ag1 h ILE 74 N -0.09 0.91 0.00 1.22 2.04 -1.19 -0.67 117.51 119.72 3ag1 h ILE 74 Ca 0.12 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3ag1 h ILE 74 Cb 0.26 -0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3ag1 h ILE 74 CO -0.27 0.16 -0.03 -0.07 0.00 0.00 0.00 178.15 177.94 3ag1 h LEU 75 N 0.90 0.00 0.10 1.44 4.07 -0.18 -2.04 115.31 119.60 3ag1 h LEU 75 Ca 0.45 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 58.10 3ag1 h LEU 75 Cb 0.44 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 3ag1 h LEU 75 CO -0.26 0.03 -1.65 0.40 -1.08 0.00 0.00 178.44 175.87 3ag1 h ILE 76 N 0.00 1.00 -0.14 1.22 2.04 -0.44 -3.41 117.51 117.78 3ag1 h ILE 76 Ca -0.00 -2.68 -0.15 0.00 1.00 0.00 0.00 64.86 63.02 3ag1 h ILE 76 Cb 0.05 2.66 0.01 0.00 -0.74 0.00 0.00 36.82 38.80 3ag1 h ILE 76 CO 0.00 0.79 -0.52 0.00 0.00 0.00 0.00 178.15 178.43 3ag1 h ALA 77 N 0.47 0.25 0.17 1.87 0.00 -0.78 -2.59 119.26 118.64 3ag1 h ALA 77 Ca -0.29 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.12 3ag1 h ALA 77 Cb 2.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.75 3ag1 h ALA 77 CO 0.14 0.44 -0.49 -0.07 0.00 0.00 0.00 179.25 179.27 3ag1 h LEU 78 N 0.23 -1.44 -1.63 0.00 4.07 -1.61 0.66 115.31 115.60 3ag1 h LEU 78 Ca -0.03 0.15 -0.04 0.00 0.08 0.00 0.00 57.88 58.04 3ag1 h LEU 78 Cb 1.15 0.52 -0.01 0.00 1.08 0.00 0.00 40.66 43.40 3ag1 h LEU 78 CO 0.11 -0.53 -0.20 1.55 -1.08 0.00 0.00 178.44 178.29 3ag1 h PRO 79 N -0.73 0.00 0.06 1.13 0.13 -1.79 -1.71 132.00 129.08 3ag1 h PRO 79 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 3ag1 h PRO 79 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3ag1 h PRO 79 CO -0.23 0.20 -0.03 1.03 -0.23 0.00 0.00 178.00 178.74 3ag1 h SER 80 N 0.00 -0.07 -0.26 1.44 0.87 -0.92 -2.32 113.55 112.29 3ag1 h SER 80 Ca -0.00 -0.12 -0.17 0.00 -1.23 0.00 0.00 61.79 60.26 3ag1 h SER 80 Cb 0.38 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3ag1 h SER 80 CO 0.03 0.08 -0.52 -0.07 -0.53 0.00 0.00 176.83 175.81 3ag1 h LEU 81 N -0.21 0.91 -0.69 2.23 3.38 -0.78 -1.40 115.31 118.75 3ag1 h LEU 81 Ca -0.01 -0.54 0.13 0.00 0.09 0.00 0.00 57.88 57.55 3ag1 h LEU 81 Cb 0.18 -0.26 -0.13 0.00 0.09 0.00 0.00 40.66 40.54 3ag1 h LEU 81 CO 0.01 1.28 -0.24 -0.09 0.09 0.00 0.00 178.44 179.49 3ag1 h ARG 82 N 0.57 -0.06 -0.72 1.13 2.43 -1.36 -1.35 114.38 115.03 3ag1 h ARG 82 Ca 0.01 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3ag1 h ARG 82 Cb 1.13 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 3ag1 h ARG 82 CO 0.12 -0.04 0.33 0.82 -1.51 0.00 0.00 179.97 179.69 3ag1 h ILE 83 N -0.06 1.24 -0.54 1.20 2.04 -1.07 -1.80 117.51 118.53 3ag1 h ILE 83 Ca 0.31 -0.70 0.11 0.00 1.00 0.00 0.00 64.86 65.58 3ag1 h ILE 83 Cb 0.54 0.37 -0.09 0.00 -0.74 0.00 0.00 36.82 36.89 3ag1 h ILE 83 CO -0.73 0.29 -0.03 0.25 0.00 0.00 0.00 178.15 177.92 3ag1 h LEU 84 N 1.01 -0.30 -0.65 1.44 5.85 -0.38 -0.85 115.31 121.43 3ag1 h LEU 84 Ca 0.24 0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.96 3ag1 h LEU 84 Cb 0.15 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3ag1 h LEU 84 CO -0.03 -0.11 -0.53 1.88 -0.34 0.00 0.00 178.44 179.31 3ag1 h TYR 85 N 0.08 0.50 -0.18 1.25 -1.99 -1.03 -2.97 116.97 112.64 3ag1 h TYR 85 Ca 0.27 -0.17 -0.00 0.00 2.00 0.00 0.00 58.73 60.83 3ag1 h TYR 85 Cb 0.43 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 3ag1 h TYR 85 CO -0.36 0.85 0.10 1.98 -0.00 0.00 0.00 178.16 180.73 3ag1 h MET 86 N 0.32 0.24 0.00 4.88 4.05 -0.73 0.95 114.93 124.63 3ag1 h MET 86 Ca 0.01 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3ag1 h MET 86 Cb 1.03 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.78 3ag1 h MET 86 CO 0.09 0.21 0.09 -1.33 0.23 0.00 0.00 176.91 176.20 3ag1 n MET 87 N -4.93 0.11 -0.01 0.39 2.81 -0.38 -2.18 117.12 112.93 3ag1 n MET 87 Ca -0.04 0.59 0.09 0.00 -1.81 0.00 0.00 57.70 56.53 3ag1 n MET 87 Cb 0.06 -1.93 -0.13 0.00 -0.71 0.00 0.00 33.22 30.50 3ag1 n MET 87 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3ag1 n ASP 88 N -2.08 0.81 -4.60 7.83 -0.08 0.15 -4.88 116.55 113.71 3ag1 n ASP 88 Ca -0.01 -0.19 -0.46 0.00 -1.51 0.00 0.00 54.79 52.61 3ag1 n ASP 88 Cb 0.11 1.66 -0.03 0.00 2.34 0.00 0.00 41.12 45.21 3ag1 n ASP 88 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3ag1 n GLU 89 N -1.99 1.38 -1.66 -0.67 1.02 -0.18 -4.91 120.64 113.63 3ag1 n GLU 89 Ca -0.02 0.49 -0.54 0.00 -0.02 0.00 0.00 57.16 57.07 3ag1 n GLU 89 Cb 0.44 -1.96 -0.06 0.00 -0.02 0.00 0.00 31.44 29.83 3ag1 n GLU 89 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3ag1 n ILE 90 N 1.05 0.21 0.00 -3.67 5.41 -1.26 -4.89 119.36 116.21 3ag1 n ILE 90 Ca 0.12 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.84 3ag1 n ILE 90 Cb 0.29 -1.18 0.00 0.00 -0.71 0.00 0.00 39.64 38.03 3ag1 n ILE 90 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3ag1 n ASN 91 N 4.36 4.01 -3.24 4.38 6.94 -1.26 -5.12 115.26 125.33 3ag1 n ASN 91 Ca 0.22 0.00 -0.16 0.00 -0.02 0.00 0.00 54.58 54.62 3ag1 n ASN 91 Cb 0.18 0.46 0.02 0.00 -2.36 0.00 0.00 39.78 38.07 3ag1 n ASN 91 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3ag1 n ASN 92 N -1.64 -6.40 -4.81 0.53 3.02 -1.26 -4.99 115.26 99.71 3ag1 n ASN 92 Ca 0.00 0.29 -0.32 0.00 -0.03 0.00 0.00 54.58 54.53 3ag1 n ASN 92 Cb 0.35 -2.26 0.04 0.00 -0.61 0.00 0.00 39.78 37.30 3ag1 n ASN 92 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ag1 s PRO 93 N -1.75 2.97 0.09 3.52 0.04 -1.26 -4.87 135.00 133.74 3ag1 s PRO 93 Ca 0.17 1.06 0.22 0.00 0.04 0.00 0.00 61.00 62.49 3ag1 s PRO 93 Cb -0.02 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.38 3ag1 s PRO 93 CO 0.48 -1.08 0.78 0.43 0.04 0.00 0.00 177.00 177.65 3ag1 n SER 94 N -2.83 0.51 -3.79 6.66 7.64 0.24 -4.96 113.62 117.10 3ag1 n SER 94 Ca 0.08 0.20 -0.13 0.00 1.01 0.00 0.00 58.87 60.04 3ag1 n SER 94 Cb 0.53 1.01 -0.12 0.00 -1.01 0.00 0.00 64.21 64.62 3ag1 n SER 94 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3ag1 s LEU 95 N -5.09 1.06 -0.08 -3.43 2.96 -1.24 -5.08 118.68 107.76 3ag1 s LEU 95 Ca -0.04 0.45 0.02 0.00 -0.22 0.00 0.00 54.13 54.34 3ag1 s LEU 95 Cb 0.11 0.74 -0.02 0.00 0.50 0.00 0.00 46.19 47.51 3ag1 s LEU 95 CO 0.84 -0.09 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.75 3ag1 s THR 96 N 0.29 3.08 -0.01 3.68 2.01 -1.26 -1.26 115.64 122.17 3ag1 s THR 96 Ca -0.01 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.34 3ag1 s THR 96 Cb -0.03 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 3ag1 s THR 96 CO -0.01 0.56 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.65 3ag1 s VAL 97 N -0.27 1.14 -0.09 3.82 1.01 -0.07 -4.49 120.40 121.45 3ag1 s VAL 97 Ca 0.02 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3ag1 s VAL 97 Cb -0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3ag1 s VAL 97 CO 0.03 0.32 0.07 -0.54 0.00 0.00 0.00 175.10 174.98 3ag1 s LYS 98 N -0.34 3.17 -0.04 2.72 1.02 -0.64 -0.32 119.74 125.32 3ag1 s LYS 98 Ca 0.05 -0.31 0.06 0.00 0.02 0.00 0.00 55.97 55.80 3ag1 s LYS 98 Cb -0.06 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.28 3ag1 s LYS 98 CO -0.01 0.73 -0.23 -0.08 -0.92 0.00 0.00 175.35 174.84 3ag1 s THR 99 N -0.98 1.85 -0.12 2.17 -1.32 0.11 -0.65 115.64 116.70 3ag1 s THR 99 Ca 0.15 -0.98 0.02 0.00 -1.21 0.00 0.00 61.69 59.67 3ag1 s THR 99 Cb -0.12 -1.55 -0.01 0.00 -1.51 0.00 0.00 72.50 69.31 3ag1 s THR 99 CO 0.04 0.52 -0.18 -0.04 -2.21 0.00 0.00 174.62 172.76 3ag1 s MET 100 N -0.32 3.23 0.43 7.08 -1.94 0.16 -1.46 119.30 126.49 3ag1 s MET 100 Ca 0.02 -0.77 -0.20 0.00 -1.71 0.00 0.00 55.69 53.03 3ag1 s MET 100 Cb -0.11 -2.48 -0.10 0.00 2.01 0.00 0.00 34.83 34.14 3ag1 s MET 100 CO 0.01 0.19 0.93 0.20 -0.01 0.00 0.00 175.02 176.34 3ag1 s GLY 101 N 0.36 2.34 0.10 -0.03 0.00 0.03 -1.34 107.32 108.78 3ag1 s GLY 101 Ca -0.14 0.33 -0.11 0.00 0.00 0.00 0.00 44.72 44.79 3ag1 s GLY 101 CO 0.07 0.60 0.26 0.30 0.00 0.00 0.00 173.10 174.33 3ag1 s HIS 102 N -2.22 0.05 -0.33 1.90 3.76 -0.89 -1.28 115.29 116.27 3ag1 s HIS 102 Ca 0.61 -0.44 -0.24 0.00 -0.15 0.00 0.00 55.06 54.84 3ag1 s HIS 102 Cb -0.09 0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.65 3ag1 s HIS 102 CO 0.16 -0.61 0.83 -0.65 -0.85 0.00 0.00 174.74 173.62 3ag1 s GLN 103 N -3.85 3.89 -0.46 1.40 -0.21 -1.26 -1.38 119.66 117.79 3ag1 s GLN 103 Ca 0.05 0.53 0.03 0.00 0.02 0.00 0.00 55.36 55.99 3ag1 s GLN 103 Cb 0.04 -3.76 0.13 0.00 1.00 0.00 0.00 33.01 30.41 3ag1 s GLN 103 CO -0.11 -0.78 0.24 -1.58 -2.12 0.00 0.00 175.29 170.93 3ag1 s TRP 104 N 3.12 2.51 -0.02 0.91 0.51 -1.26 -5.13 118.94 119.57 3ag1 s TRP 104 Ca 0.34 -2.72 -0.30 0.00 -2.12 0.00 0.00 56.10 51.29 3ag1 s TRP 104 Cb -0.13 -2.29 0.11 0.00 -0.81 0.00 0.00 33.47 30.34 3ag1 s TRP 104 CO 0.15 -0.77 1.07 1.52 -0.51 0.00 0.00 176.95 178.41 3ag1 s TYR 105 N 0.15 -0.18 0.02 -1.98 1.13 -0.48 -4.71 117.35 111.30 3ag1 s TYR 105 Ca 0.17 0.04 0.01 0.00 -1.41 0.00 0.00 57.07 55.87 3ag1 s TYR 105 Cb -0.25 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.13 3ag1 s TYR 105 CO -0.01 -0.46 0.07 -1.58 -2.51 0.00 0.00 175.55 171.06 3ag1 s TRP 106 N -2.82 3.23 0.15 -3.49 0.52 -1.06 -2.10 118.94 113.36 3ag1 s TRP 106 Ca 0.10 0.16 0.10 0.00 0.02 0.00 0.00 56.10 56.47 3ag1 s TRP 106 Cb 0.00 -1.70 -0.04 0.00 -1.15 0.00 0.00 33.47 30.58 3ag1 s TRP 106 CO -0.04 0.53 -0.18 -1.54 0.02 0.00 0.00 176.95 175.74 3ag1 s SER 107 N -1.85 3.84 0.09 2.95 1.04 -0.45 0.74 113.70 120.05 3ag1 s SER 107 Ca 0.24 -0.64 0.10 0.00 0.48 0.00 0.00 55.95 56.13 3ag1 s SER 107 Cb -0.12 -0.50 -0.03 0.00 0.10 0.00 0.00 66.02 65.46 3ag1 s SER 107 CO 0.15 0.15 -0.26 -0.31 0.98 0.00 0.00 173.24 173.95 3ag1 s TYR 108 N -1.36 2.27 -0.08 5.02 2.02 0.73 -0.66 117.35 125.29 3ag1 s TYR 108 Ca 0.20 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 3ag1 s TYR 108 Cb -0.10 -1.30 0.02 0.00 -0.40 0.00 0.00 41.96 40.19 3ag1 s TYR 108 CO 0.11 0.22 -0.06 -1.21 -1.57 0.00 0.00 175.55 173.04 3ag1 s GLU 109 N -1.63 1.16 -0.32 -0.62 2.02 0.18 -1.93 118.70 117.55 3ag1 s GLU 109 Ca 0.12 -0.16 0.02 0.00 0.02 0.00 0.00 54.97 54.97 3ag1 s GLU 109 Cb -0.10 -1.21 0.08 0.00 0.10 0.00 0.00 34.13 33.00 3ag1 s GLU 109 CO 0.04 -0.17 0.02 0.71 0.02 0.00 0.00 175.26 175.87 3ag1 s TYR 110 N 1.37 3.52 -0.08 1.61 4.12 0.88 -1.62 117.35 127.16 3ag1 s TYR 110 Ca -0.03 -2.55 0.11 0.00 0.02 0.00 0.00 57.07 54.63 3ag1 s TYR 110 Cb -0.14 -2.56 0.20 0.00 -1.52 0.00 0.00 41.96 37.95 3ag1 s TYR 110 CO -0.03 -0.91 1.10 0.25 0.02 0.00 0.00 175.55 175.98 3ag1 n THR 111 N 4.41 1.02 -0.33 -0.71 -2.24 -1.25 -2.13 114.28 113.05 3ag1 n THR 111 Ca -0.05 -1.37 -0.03 0.00 -2.27 0.00 0.00 64.05 60.33 3ag1 n THR 111 Cb 0.42 0.16 0.09 0.00 -2.10 0.00 0.00 70.33 68.90 3ag1 n THR 111 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ag1 h ASP 112 N 0.19 1.01 0.00 3.42 3.32 -1.92 -3.42 116.42 119.02 3ag1 h ASP 112 Ca -0.02 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3ag1 h ASP 112 Cb 1.24 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3ag1 h ASP 112 CO 0.01 0.73 -0.40 -1.22 -1.72 0.00 0.00 179.24 176.63 3ag1 n TYR 113 N -4.47 -0.12 -4.07 4.55 4.01 -1.26 -5.10 117.16 110.69 3ag1 n TYR 113 Ca 0.10 0.02 -0.27 0.00 -0.16 0.00 0.00 57.90 57.59 3ag1 n TYR 113 Cb 0.02 0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 3ag1 n TYR 113 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ag1 s GLU 114 N -2.00 2.26 -1.10 -0.72 0.41 -1.26 -5.04 118.70 111.24 3ag1 s GLU 114 Ca 0.00 -2.03 -0.07 0.00 -0.41 0.00 0.00 54.97 52.46 3ag1 s GLU 114 Cb 0.00 -1.99 0.29 0.00 -1.78 0.00 0.00 34.13 30.65 3ag1 s GLU 114 CO 0.00 -0.45 1.27 -0.25 -0.49 0.00 0.00 175.26 175.34 3ag1 n ASP 115 N -1.56 5.90 -4.65 -0.19 10.43 -1.26 -3.87 116.55 121.34 3ag1 n ASP 115 Ca -0.04 -3.19 -0.40 0.00 2.57 0.00 0.00 54.79 53.72 3ag1 n ASP 115 Cb 0.65 -1.34 -0.06 0.00 1.84 0.00 0.00 41.12 42.21 3ag1 n ASP 115 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3ag1 s LEU 116 N -1.91 4.13 0.06 0.64 2.96 -0.90 -4.98 118.68 118.68 3ag1 s LEU 116 Ca 0.31 0.81 -0.07 0.00 -0.22 0.00 0.00 54.13 54.97 3ag1 s LEU 116 Cb -0.04 -2.88 -0.01 0.00 0.50 0.00 0.00 46.19 43.76 3ag1 s LEU 116 CO -0.00 -0.29 0.13 -0.94 -1.32 0.00 0.00 176.35 173.93 3ag1 s SER 117 N 1.24 0.17 0.09 3.68 1.04 -1.26 -0.08 113.70 118.58 3ag1 s SER 117 Ca 0.28 -0.60 -0.26 0.00 0.48 0.00 0.00 55.95 55.85 3ag1 s SER 117 Cb -0.16 0.27 0.08 0.00 0.10 0.00 0.00 66.02 66.31 3ag1 s SER 117 CO 0.10 -0.60 0.88 0.72 0.98 0.00 0.00 173.24 175.32 3ag1 s PHE 118 N -3.18 -0.27 0.02 5.02 -0.12 -0.81 -4.98 117.98 113.66 3ag1 s PHE 118 Ca -0.00 0.04 -0.03 0.00 -0.05 0.00 0.00 56.93 56.89 3ag1 s PHE 118 Cb 0.02 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.96 3ag1 s PHE 118 CO -0.07 -0.73 0.22 -0.51 -0.05 0.00 0.00 175.22 174.08 3ag1 s ASP 119 N -2.72 6.40 -0.22 1.98 1.01 -1.26 -0.19 116.67 121.67 3ag1 s ASP 119 Ca 0.08 0.39 -0.00 0.00 0.71 0.00 0.00 52.55 53.73 3ag1 s ASP 119 Cb -0.01 -2.02 0.06 0.00 1.01 0.00 0.00 42.92 41.96 3ag1 s ASP 119 CO -0.04 0.22 -0.02 -0.55 0.21 0.00 0.00 175.17 174.99 3ag1 s SER 120 N -2.07 3.56 0.11 0.27 0.15 0.23 -4.57 113.70 111.37 3ag1 s SER 120 Ca 0.30 -1.07 0.04 0.00 0.70 0.00 0.00 55.95 55.93 3ag1 s SER 120 Cb -0.13 -0.99 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 3ag1 s SER 120 CO 0.21 -0.26 0.06 -0.31 1.20 0.00 0.00 173.24 174.14 3ag1 s TYR 121 N 1.54 3.09 0.50 3.44 2.02 -1.26 -2.56 117.35 124.12 3ag1 s TYR 121 Ca -0.04 0.00 -0.22 0.00 -0.37 0.00 0.00 57.07 56.44 3ag1 s TYR 121 Cb -0.18 -1.55 -0.08 0.00 -0.40 0.00 0.00 41.96 39.75 3ag1 s TYR 121 CO -0.07 0.51 1.08 -0.12 -1.57 0.00 0.00 175.55 175.38 3ag1 n MET 122 N 0.26 1.35 -2.92 -0.62 0.00 -1.26 -1.77 117.12 112.15 3ag1 n MET 122 Ca -0.09 0.49 -0.41 0.00 -0.00 0.00 0.00 57.70 57.70 3ag1 n MET 122 Cb 0.53 -2.21 -0.04 0.00 0.00 0.00 0.00 33.22 31.49 3ag1 n MET 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3ag1 s ILE 123 N -1.35 4.96 0.68 1.12 -1.09 0.06 -4.75 121.20 120.84 3ag1 s ILE 123 Ca 0.68 1.68 -0.16 0.00 -2.23 0.00 0.00 60.65 60.62 3ag1 s ILE 123 Cb -0.48 -4.15 0.01 0.00 -1.58 0.00 0.00 42.46 36.27 3ag1 s ILE 123 CO 0.53 0.22 1.19 -2.84 -1.23 0.00 0.00 174.94 172.81 3ag1 s PRO 124 N 0.83 2.46 0.33 2.79 0.02 -1.26 -4.71 135.00 135.46 3ag1 s PRO 124 Ca 0.43 1.71 0.01 0.00 0.02 0.00 0.00 61.00 63.17 3ag1 s PRO 124 Cb -0.19 -1.88 0.58 0.00 0.02 0.00 0.00 34.50 33.03 3ag1 s PRO 124 CO 0.22 -1.58 1.98 1.15 -0.33 0.00 0.00 177.00 178.45 3ag1 h THR 125 N 0.06 1.15 0.00 0.99 2.02 -1.99 -0.74 112.91 114.40 3ag1 h THR 125 Ca -0.48 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.38 3ag1 h THR 125 Cb 1.29 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 3ag1 h THR 125 CO 0.52 0.17 0.00 0.77 0.37 0.00 0.00 175.52 177.35 3ag1 h SER 126 N 0.94 0.00 -0.65 4.18 4.64 -2.04 -2.87 113.55 117.74 3ag1 h SER 126 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3ag1 h SER 126 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3ag1 h SER 126 CO -0.07 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.27 3ag1 n GLU 127 N -2.38 2.75 -2.27 4.77 1.02 -0.30 -4.98 120.64 119.25 3ag1 n GLU 127 Ca 0.02 -2.54 -0.40 0.00 -0.02 0.00 0.00 57.16 54.22 3ag1 n GLU 127 Cb 0.28 -1.51 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 3ag1 n GLU 127 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ag1 s LEU 128 N -1.01 4.46 0.25 -4.62 1.43 -1.09 -4.92 118.68 113.18 3ag1 s LEU 128 Ca 0.44 2.49 -0.27 0.00 -1.03 0.00 0.00 54.13 55.76 3ag1 s LEU 128 Cb 0.23 -3.67 -0.09 0.00 0.03 0.00 0.00 46.19 42.69 3ag1 s LEU 128 CO 0.30 -0.39 0.88 -0.54 0.23 0.00 0.00 176.35 176.84 3ag1 s LYS 129 N -1.70 4.65 0.12 1.70 1.02 -1.26 -4.96 119.74 119.32 3ag1 s LYS 129 Ca 0.48 1.31 -0.34 0.00 0.02 0.00 0.00 55.97 57.43 3ag1 s LYS 129 Cb -0.36 -3.09 -0.17 0.00 -0.52 0.00 0.00 37.83 33.69 3ag1 s LYS 129 CO 0.47 0.45 1.06 -2.30 -0.92 0.00 0.00 175.35 174.10 3ag1 n PRO 130 N 1.16 0.68 -0.16 -1.68 -0.02 -1.26 -0.44 135.00 133.28 3ag1 n PRO 130 Ca -0.02 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3ag1 n PRO 130 Cb 0.49 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3ag1 n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ag1 n GLY 131 N 1.93 2.28 3.85 -1.23 0.00 -1.26 -5.06 105.19 105.70 3ag1 n GLY 131 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3ag1 n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ag1 s GLU 132 N -0.14 3.87 -0.31 1.61 2.02 0.41 -5.03 118.70 121.14 3ag1 s GLU 132 Ca 0.00 0.90 -0.13 0.00 0.02 0.00 0.00 54.97 55.76 3ag1 s GLU 132 Cb 0.00 -2.13 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 3ag1 s GLU 132 CO 0.00 -0.33 0.25 -0.51 0.02 0.00 0.00 175.26 174.70 3ag1 s LEU 133 N -4.30 4.28 0.22 1.80 1.43 -1.26 -4.93 118.68 115.92 3ag1 s LEU 133 Ca 0.58 -0.17 -0.32 0.00 -1.03 0.00 0.00 54.13 53.19 3ag1 s LEU 133 Cb -0.10 -2.19 -0.14 0.00 0.03 0.00 0.00 46.19 43.79 3ag1 s LEU 133 CO 0.36 -0.18 1.36 -1.14 0.23 0.00 0.00 176.35 176.98 3ag1 n ARG 134 N 5.16 1.83 -0.33 1.70 0.63 -1.26 -2.04 116.66 122.35 3ag1 n ARG 134 Ca -0.12 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 3ag1 n ARG 134 Cb 0.51 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.14 3ag1 n ARG 134 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3ag1 n LEU 135 N 2.18 0.19 -0.08 6.15 4.77 -1.26 -4.77 117.00 124.18 3ag1 n LEU 135 Ca 0.13 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 3ag1 n LEU 135 Cb 0.30 -0.42 -0.11 0.00 -2.33 0.00 0.00 43.42 40.85 3ag1 n LEU 135 CO 0.62 -0.10 -1.02 0.18 -1.33 0.00 0.00 177.39 175.75 3ag1 n LEU 136 N 0.00 0.52 -4.76 2.23 4.77 -0.87 -4.61 117.00 114.29 3ag1 n LEU 136 Ca 0.00 -0.02 -0.39 0.00 -0.03 0.00 0.00 56.01 55.57 3ag1 n LEU 136 Cb 0.00 0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 3ag1 n LEU 136 CO 0.00 0.45 0.64 -1.61 -1.33 0.00 0.00 177.39 175.54 3ag1 s GLU 137 N -2.37 4.80 0.36 3.23 0.41 -1.18 -4.63 118.70 119.31 3ag1 s GLU 137 Ca -0.11 1.44 0.07 0.00 -0.41 0.00 0.00 54.97 55.97 3ag1 s GLU 137 Cb 0.05 -3.19 -0.01 0.00 -1.78 0.00 0.00 34.13 29.19 3ag1 s GLU 137 CO 0.59 0.48 0.40 0.14 -0.49 0.00 0.00 175.26 176.38 3ag1 s VAL 138 N -1.26 3.54 0.03 2.63 -7.23 -1.26 -0.76 120.40 116.09 3ag1 s VAL 138 Ca 0.42 -1.18 -0.18 0.00 -1.81 0.00 0.00 61.98 59.24 3ag1 s VAL 138 Cb -0.25 -3.22 -0.24 0.00 0.56 0.00 0.00 36.38 33.23 3ag1 s VAL 138 CO 0.30 -0.12 1.12 -2.24 -0.31 0.00 0.00 175.10 173.85 3ag1 h ASP 139 N 1.01 0.69 -3.71 4.85 -0.00 -1.64 -3.42 116.42 114.20 3ag1 h ASP 139 Ca -0.44 -0.77 -0.64 0.00 -0.00 0.00 0.00 57.03 55.18 3ag1 h ASP 139 Cb 1.26 -0.21 -0.38 0.00 -0.00 0.00 0.00 39.33 40.00 3ag1 h ASP 139 CO 0.54 1.37 -0.78 0.20 -0.00 0.00 0.00 179.24 180.58 3ag1 s ASN 140 N -7.00 4.25 0.75 4.15 0.01 -1.26 -5.04 114.94 110.80 3ag1 s ASN 140 Ca -0.12 -1.46 -0.11 0.00 -0.71 0.00 0.00 52.86 50.46 3ag1 s ASN 140 Cb 0.05 -1.38 0.04 0.00 0.41 0.00 0.00 41.25 40.37 3ag1 s ASN 140 CO 0.87 -0.26 1.09 -0.13 -1.51 0.00 0.00 177.10 177.16 3ag1 s ARG 141 N 1.21 2.45 -0.69 -0.60 0.52 -1.26 -4.60 118.95 115.98 3ag1 s ARG 141 Ca -0.03 1.14 -0.21 0.00 -0.52 0.00 0.00 55.73 56.11 3ag1 s ARG 141 Cb -0.19 -1.92 0.08 0.00 0.52 0.00 0.00 34.95 33.44 3ag1 s ARG 141 CO -0.07 -1.49 0.95 0.08 0.02 0.00 0.00 175.30 174.79 3ag1 s VAL 142 N -2.88 4.45 0.01 3.52 1.01 -0.06 -4.88 120.40 121.57 3ag1 s VAL 142 Ca 0.61 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 3ag1 s VAL 142 Cb -0.17 -4.67 -0.04 0.00 0.00 0.00 0.00 36.38 31.50 3ag1 s VAL 142 CO 0.54 -1.42 0.86 -0.69 0.00 0.00 0.00 175.10 174.39 3ag1 s VAL 143 N 3.66 4.83 0.03 2.92 1.01 -1.26 -0.19 120.40 131.40 3ag1 s VAL 143 Ca 0.22 1.80 -0.02 0.00 0.00 0.00 0.00 61.98 63.99 3ag1 s VAL 143 Cb -0.16 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 3ag1 s VAL 143 CO 0.07 0.25 0.00 -0.76 0.00 0.00 0.00 175.10 174.66 3ag1 s LEU 144 N 0.57 2.20 0.01 3.92 1.43 0.39 -4.93 118.68 122.27 3ag1 s LEU 144 Ca 0.44 -0.66 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 3ag1 s LEU 144 Cb -0.20 0.26 -0.04 0.00 0.03 0.00 0.00 46.19 46.23 3ag1 s LEU 144 CO 0.25 -0.44 1.18 -2.16 0.23 0.00 0.00 176.35 175.41 3ag1 s PRO 145 N -2.48 4.41 0.91 1.29 0.04 -1.26 -1.19 135.00 136.73 3ag1 s PRO 145 Ca -0.06 1.70 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 3ag1 s PRO 145 Cb -0.02 -3.44 0.14 0.00 0.04 0.00 0.00 34.50 31.22 3ag1 s PRO 145 CO -0.05 -0.31 1.15 0.00 0.04 0.00 0.00 177.00 177.83 3ag1 s MET 146 N 1.52 1.03 -1.55 4.56 0.23 0.09 -3.84 119.30 121.34 3ag1 s MET 146 Ca 0.57 1.58 0.00 0.00 -1.03 0.00 0.00 55.69 56.81 3ag1 s MET 146 Cb -0.27 -1.73 0.00 0.00 -1.53 0.00 0.00 34.83 31.31 3ag1 s MET 146 CO 0.26 -2.63 0.00 0.39 -2.03 0.00 0.00 175.02 171.01 3ag1 n GLU 147 N -4.19 -1.55 -4.40 3.16 1.02 -0.11 -4.81 120.64 109.75 3ag1 n GLU 147 Ca 0.12 0.97 -0.28 0.00 -0.02 0.00 0.00 57.16 57.95 3ag1 n GLU 147 Cb 0.52 -5.31 -0.12 0.00 -0.02 0.00 0.00 31.44 26.51 3ag1 n GLU 147 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3ag1 s MET 148 N -3.19 1.44 -0.26 3.49 -1.94 -1.25 -4.98 119.30 112.61 3ag1 s MET 148 Ca 0.00 -1.42 -0.27 0.00 -1.71 0.00 0.00 55.69 52.28 3ag1 s MET 148 Cb 0.00 -1.87 0.01 0.00 2.01 0.00 0.00 34.83 34.98 3ag1 s MET 148 CO 0.00 0.43 0.97 0.99 -0.01 0.00 0.00 175.02 177.40 3ag1 s THR 149 N -1.32 4.70 -0.05 2.05 2.01 -1.26 -4.40 115.64 117.37 3ag1 s THR 149 Ca 0.17 1.79 0.05 0.00 0.31 0.00 0.00 61.69 64.01 3ag1 s THR 149 Cb -0.09 -4.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.13 3ag1 s THR 149 CO 0.08 -0.21 -0.19 -0.63 -0.69 0.00 0.00 174.62 172.97 3ag1 s ILE 150 N 3.17 2.64 -0.32 1.82 1.01 0.28 -0.59 121.20 129.21 3ag1 s ILE 150 Ca 0.41 -0.88 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 3ag1 s ILE 150 Cb -0.14 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 3ag1 s ILE 150 CO 0.09 0.58 0.29 -0.60 0.00 0.00 0.00 174.94 175.29 3ag1 s ARG 151 N -0.56 3.70 -0.09 2.79 3.52 -0.39 -0.86 118.95 127.06 3ag1 s ARG 151 Ca 0.08 -0.39 -0.14 0.00 -0.13 0.00 0.00 55.73 55.14 3ag1 s ARG 151 Cb -0.11 -3.75 -0.05 0.00 -1.56 0.00 0.00 34.95 29.48 3ag1 s ARG 151 CO 0.01 -0.38 0.35 -1.64 -0.81 0.00 0.00 175.30 172.82 3ag1 s MET 152 N 1.88 4.07 -0.10 5.12 -1.94 -0.31 -0.89 119.30 127.13 3ag1 s MET 152 Ca 0.09 0.25 0.01 0.00 -1.71 0.00 0.00 55.69 54.33 3ag1 s MET 152 Cb -0.17 -3.33 -0.02 0.00 2.01 0.00 0.00 34.83 33.32 3ag1 s MET 152 CO 0.11 0.44 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.92 3ag1 s LEU 153 N -0.20 2.76 -0.08 -0.03 1.43 0.57 -1.26 118.68 121.87 3ag1 s LEU 153 Ca 0.21 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 3ag1 s LEU 153 Cb -0.15 -1.60 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 3ag1 s LEU 153 CO 0.08 0.24 -0.24 -0.69 0.23 0.00 0.00 176.35 175.97 3ag1 s VAL 154 N -0.07 1.98 0.01 -1.59 1.01 0.25 0.04 120.40 122.02 3ag1 s VAL 154 Ca -0.02 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 3ag1 s VAL 154 Cb -0.14 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3ag1 s VAL 154 CO 0.04 0.55 0.01 -0.24 0.00 0.00 0.00 175.10 175.46 3ag1 n SER 155 N 3.30 -0.04 -3.94 3.32 2.88 -0.54 -1.37 113.62 117.24 3ag1 n SER 155 Ca -0.19 -1.04 -0.09 0.00 -1.33 0.00 0.00 58.87 56.22 3ag1 n SER 155 Cb 0.53 0.07 -0.10 0.00 -0.75 0.00 0.00 64.21 63.96 3ag1 n SER 155 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3ag1 s SER 156 N -1.05 0.19 0.00 -3.46 0.15 -1.25 -0.79 113.70 107.49 3ag1 s SER 156 Ca 0.01 -0.52 0.20 0.00 0.70 0.00 0.00 55.95 56.33 3ag1 s SER 156 Cb -0.00 0.20 0.34 0.00 -1.71 0.00 0.00 66.02 64.85 3ag1 s SER 156 CO 0.00 -0.47 1.28 -0.62 1.20 0.00 0.00 173.24 174.64 3ag1 n GLU 157 N 0.93 2.23 0.00 5.44 1.02 -0.41 -3.95 120.64 125.92 3ag1 n GLU 157 Ca -0.20 -2.06 0.00 0.00 -0.02 0.00 0.00 57.16 54.88 3ag1 n GLU 157 Cb 0.58 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 3ag1 n GLU 157 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ag1 n ASP 158 N 1.23 0.00 -2.94 1.62 5.68 -1.26 -5.04 116.55 115.84 3ag1 n ASP 158 Ca 0.16 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.37 3ag1 n ASP 158 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 3ag1 n ASP 158 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3ag1 n VAL 159 N -0.32 0.00 -2.69 2.12 0.24 -1.26 -4.72 118.33 111.70 3ag1 n VAL 159 Ca 0.00 -0.71 -0.36 0.00 -2.04 0.00 0.00 64.34 61.24 3ag1 n VAL 159 Cb 0.00 -0.42 -0.06 0.00 -1.47 0.00 0.00 33.84 31.89 3ag1 n VAL 159 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ag1 s LEU 160 N 0.00 4.14 0.00 1.34 1.43 -1.26 -4.56 118.68 119.77 3ag1 s LEU 160 Ca 0.12 1.88 0.05 0.00 -1.03 0.00 0.00 54.13 55.15 3ag1 s LEU 160 Cb -0.01 -4.23 -0.02 0.00 0.03 0.00 0.00 46.19 41.96 3ag1 s LEU 160 CO 0.07 -0.33 0.20 1.41 0.23 0.00 0.00 176.35 177.93 3ag1 n HIS 161 N -0.04 -0.36 -3.72 0.29 8.25 -0.87 -4.43 115.22 114.33 3ag1 n HIS 161 Ca 0.05 -2.35 -0.12 0.00 -0.26 0.00 0.00 57.72 55.04 3ag1 n HIS 161 Cb 0.51 0.15 -0.12 0.00 1.12 0.00 0.00 29.99 31.65 3ag1 n HIS 161 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3ag1 s SER 162 N -3.07 -0.37 -0.36 0.41 0.15 -1.26 -0.10 113.70 109.10 3ag1 s SER 162 Ca 0.28 0.69 -0.14 0.00 0.70 0.00 0.00 55.95 57.47 3ag1 s SER 162 Cb 0.01 0.60 -0.01 0.00 -1.71 0.00 0.00 66.02 64.92 3ag1 s SER 162 CO 0.20 -0.16 0.31 0.86 1.20 0.00 0.00 173.24 175.64 3ag1 s TRP 163 N 1.04 3.22 0.03 3.44 -0.00 0.55 -1.49 118.94 125.73 3ag1 s TRP 163 Ca -0.07 -0.20 0.04 0.00 -0.00 0.00 0.00 56.10 55.86 3ag1 s TRP 163 Cb -0.08 -2.59 -0.02 0.00 -0.00 0.00 0.00 33.47 30.78 3ag1 s TRP 163 CO -0.08 -0.44 -0.11 0.00 -0.00 0.00 0.00 176.95 176.32 3ag1 s ALA 164 N 1.86 0.87 -0.30 5.86 0.00 -1.26 -1.51 121.76 127.27 3ag1 s ALA 164 Ca 0.08 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 3ag1 s ALA 164 Cb -0.17 -0.11 0.11 0.00 0.00 0.00 0.00 23.12 22.95 3ag1 s ALA 164 CO 0.11 0.13 0.18 0.08 0.00 0.00 0.00 175.76 176.27 3ag1 s VAL 165 N -0.86 -0.12 0.23 0.00 1.01 -0.46 -3.33 120.40 116.86 3ag1 s VAL 165 Ca -0.01 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 3ag1 s VAL 165 Cb -0.07 -0.99 0.20 0.00 0.00 0.00 0.00 36.38 35.52 3ag1 s VAL 165 CO 0.01 -0.70 1.70 -0.65 0.00 0.00 0.00 175.10 175.45 3ag1 h PRO 166 N 8.18 0.27 -0.46 2.72 0.11 -1.77 -2.25 132.00 138.80 3ag1 h PRO 166 Ca -0.15 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.08 3ag1 h PRO 166 Cb 1.02 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 3ag1 h PRO 166 CO 0.39 0.18 0.33 0.77 -0.21 0.00 0.00 178.00 179.46 3ag1 h SER 167 N 0.28 0.01 0.06 -2.05 0.02 -1.85 0.66 113.55 110.67 3ag1 h SER 167 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3ag1 h SER 167 Cb 0.57 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3ag1 h SER 167 CO -0.45 0.01 -0.74 0.18 -1.14 0.00 0.00 176.83 174.69 3ag1 n LEU 168 N -4.40 1.30 -0.34 5.07 4.77 -0.87 -0.44 117.00 122.09 3ag1 n LEU 168 Ca 0.08 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 3ag1 n LEU 168 Cb 0.53 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3ag1 n LEU 168 CO 0.36 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3ag1 n GLY 169 N 1.46 0.85 3.20 -0.72 0.00 0.22 -4.28 105.19 105.92 3ag1 n GLY 169 Ca 0.06 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 3ag1 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag1 s LEU 170 N -0.68 2.00 -0.30 0.99 1.43 -1.14 -4.89 118.68 116.09 3ag1 s LEU 170 Ca 0.00 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.56 3ag1 s LEU 170 Cb 0.00 -1.13 0.14 0.00 0.03 0.00 0.00 46.19 45.23 3ag1 s LEU 170 CO 0.00 0.21 0.81 -0.75 0.23 0.00 0.00 176.35 176.85 3ag1 s LYS 171 N -0.16 0.45 -0.04 1.70 2.20 -1.26 -1.36 119.74 121.28 3ag1 s LYS 171 Ca -0.01 1.10 -0.01 0.00 -0.36 0.00 0.00 55.97 56.69 3ag1 s LYS 171 Cb -0.11 0.62 0.03 0.00 -1.51 0.00 0.00 37.83 36.86 3ag1 s LYS 171 CO 0.02 -0.15 0.08 0.99 -0.36 0.00 0.00 175.35 175.93 3ag1 s THR 172 N 2.57 -0.07 0.61 3.43 2.01 -0.57 -4.99 115.64 118.63 3ag1 s THR 172 Ca -0.05 0.23 -0.17 0.00 0.31 0.00 0.00 61.69 62.01 3ag1 s THR 172 Cb -0.09 -0.16 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 3ag1 s THR 172 CO -0.18 0.09 1.12 -1.81 -0.69 0.00 0.00 174.62 173.15 3ag1 s ASP 173 N 1.25 5.38 -0.35 3.53 1.11 -1.26 -0.33 116.67 126.00 3ag1 s ASP 173 Ca -0.08 2.08 -0.04 0.00 0.18 0.00 0.00 52.55 54.69 3ag1 s ASP 173 Cb -0.12 -2.56 0.06 0.00 1.07 0.00 0.00 42.92 41.37 3ag1 s ASP 173 CO -0.04 -1.45 0.10 0.00 1.18 0.00 0.00 175.17 174.96 3ag1 s ALA 174 N -2.09 3.00 -0.15 5.23 0.00 0.85 -4.77 121.76 123.83 3ag1 s ALA 174 Ca 0.69 -1.98 0.02 0.00 0.00 0.00 0.00 51.96 50.70 3ag1 s ALA 174 Cb -0.22 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.72 3ag1 s ALA 174 CO 0.35 -1.45 -0.21 0.42 0.00 0.00 0.00 175.76 174.88 3ag1 s ILE 175 N 1.28 2.01 0.43 0.00 1.01 -1.26 -2.05 121.20 122.61 3ag1 s ILE 175 Ca -0.00 -0.94 -0.26 0.00 0.00 0.00 0.00 60.65 59.45 3ag1 s ILE 175 Cb -0.21 -1.80 -0.09 0.00 0.01 0.00 0.00 42.46 40.37 3ag1 s ILE 175 CO -0.01 0.54 1.39 -0.81 0.00 0.00 0.00 174.94 176.05 3ag1 n PRO 176 N 4.27 2.22 -0.84 2.79 -0.04 -1.25 -1.90 135.00 140.25 3ag1 n PRO 176 Ca -0.20 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 3ag1 n PRO 176 Cb 0.51 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 3ag1 n PRO 176 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ag1 n GLY 177 N 0.63 0.87 3.08 0.55 0.00 -1.26 -4.94 105.19 104.12 3ag1 n GLY 177 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 3ag1 n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ag1 s ARG 178 N -0.16 0.61 -0.29 1.61 3.52 -0.80 -5.12 118.95 118.32 3ag1 s ARG 178 Ca 0.00 -0.74 -0.00 0.00 -0.13 0.00 0.00 55.73 54.86 3ag1 s ARG 178 Cb 0.00 -0.47 0.06 0.00 -1.56 0.00 0.00 34.95 32.98 3ag1 s ARG 178 CO 0.00 0.10 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.39 3ag1 s LEU 179 N -1.42 3.85 -0.09 -0.88 2.96 -1.26 -4.44 118.68 117.40 3ag1 s LEU 179 Ca -0.06 -1.39 -0.11 0.00 -0.22 0.00 0.00 54.13 52.35 3ag1 s LEU 179 Cb -0.09 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 3ag1 s LEU 179 CO 0.01 -0.26 0.26 0.20 -1.32 0.00 0.00 176.35 175.24 3ag1 s ASN 180 N 1.21 6.53 -0.01 3.68 0.01 -0.47 -4.87 114.94 121.02 3ag1 s ASN 180 Ca -0.05 0.63 -0.00 0.00 -0.71 0.00 0.00 52.86 52.73 3ag1 s ASN 180 Cb -0.20 -2.15 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 3ag1 s ASN 180 CO -0.03 0.31 0.07 -1.58 -1.51 0.00 0.00 177.10 174.36 3ag1 s GLN 181 N -0.69 3.02 0.20 -0.60 0.74 -1.26 -0.59 119.66 120.48 3ag1 s GLN 181 Ca 0.18 -0.50 -0.05 0.00 0.05 0.00 0.00 55.36 55.04 3ag1 s GLN 181 Cb -0.14 -2.83 -0.03 0.00 1.10 0.00 0.00 33.01 31.12 3ag1 s GLN 181 CO 0.07 0.65 0.23 -0.08 -0.55 0.00 0.00 175.29 175.60 3ag1 s THR 182 N -1.16 0.02 0.07 -0.34 -1.32 -0.39 -5.02 115.64 107.50 3ag1 s THR 182 Ca 0.22 -1.77 0.08 0.00 -1.21 0.00 0.00 61.69 59.01 3ag1 s THR 182 Cb -0.12 -2.30 -0.03 0.00 -1.51 0.00 0.00 72.50 68.54 3ag1 s THR 182 CO 0.13 -0.09 -0.21 0.42 -2.21 0.00 0.00 174.62 172.66 3ag1 s THR 183 N -4.09 1.72 -0.03 5.08 -4.23 -1.26 -1.16 115.64 111.67 3ag1 s THR 183 Ca 0.31 -1.37 0.04 0.00 -1.18 0.00 0.00 61.69 59.48 3ag1 s THR 183 Cb 0.05 -1.53 -0.00 0.00 1.34 0.00 0.00 72.50 72.36 3ag1 s THR 183 CO 0.09 0.09 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.89 3ag1 s LEU 184 N -1.53 1.88 -0.15 4.79 0.20 -0.04 -4.94 118.68 118.88 3ag1 s LEU 184 Ca 0.07 -0.29 -0.04 0.00 0.69 0.00 0.00 54.13 54.56 3ag1 s LEU 184 Cb -0.09 -0.81 0.08 0.00 -0.43 0.00 0.00 46.19 44.93 3ag1 s LEU 184 CO 0.03 0.13 0.27 -0.32 -0.29 0.00 0.00 176.35 176.16 3ag1 s MET 185 N 0.06 0.17 -0.13 1.98 1.75 -1.26 -0.55 119.30 121.32 3ag1 s MET 185 Ca -0.03 0.64 -0.04 0.00 -1.25 0.00 0.00 55.69 55.01 3ag1 s MET 185 Cb -0.10 -0.27 -0.04 0.00 2.84 0.00 0.00 34.83 37.26 3ag1 s MET 185 CO 0.01 -0.38 0.03 0.45 -0.65 0.00 0.00 175.02 174.49 3ag1 s SER 186 N 2.42 5.43 0.06 1.11 0.15 -1.26 -4.37 113.70 117.24 3ag1 s SER 186 Ca 0.03 0.13 0.28 0.00 0.70 0.00 0.00 55.95 57.09 3ag1 s SER 186 Cb -0.13 -1.74 1.03 0.00 -1.71 0.00 0.00 66.02 63.47 3ag1 s SER 186 CO -0.10 0.29 1.82 -1.20 1.20 0.00 0.00 173.24 175.26 3ag1 n SER 187 N 2.73 0.30 -3.99 5.45 7.64 -0.31 -0.94 113.62 124.49 3ag1 n SER 187 Ca -0.18 0.45 -0.09 0.00 1.01 0.00 0.00 58.87 60.06 3ag1 n SER 187 Cb 0.53 -0.50 -0.11 0.00 -1.01 0.00 0.00 64.21 63.13 3ag1 n SER 187 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3ag1 s ARG 188 N -3.03 0.41 1.06 1.43 0.52 -1.26 -4.82 118.95 113.26 3ag1 s ARG 188 Ca 0.13 -0.75 -0.17 0.00 -0.52 0.00 0.00 55.73 54.42 3ag1 s ARG 188 Cb 0.17 0.15 0.23 0.00 0.52 0.00 0.00 34.95 36.02 3ag1 s ARG 188 CO 0.57 -0.08 1.21 -1.25 0.02 0.00 0.00 175.30 175.77 3ag1 s PRO 189 N -2.11 -0.10 0.00 3.54 0.04 -1.26 -4.85 135.00 130.25 3ag1 s PRO 189 Ca -0.10 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 60.76 3ag1 s PRO 189 Cb -0.05 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.75 3ag1 s PRO 189 CO -0.03 -2.95 0.00 0.41 0.04 0.00 0.00 177.00 174.47 3ag1 n GLY 190 N -2.39 0.65 3.29 0.56 0.00 -0.64 -4.90 105.19 101.76 3ag1 n GLY 190 Ca 0.13 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 3ag1 n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag1 s LEU 191 N 0.00 2.50 -0.06 0.99 1.43 -1.26 -0.34 118.68 121.94 3ag1 s LEU 191 Ca 0.00 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 3ag1 s LEU 191 Cb 0.00 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.68 3ag1 s LEU 191 CO 0.00 0.11 -0.11 -0.31 0.23 0.00 0.00 176.35 176.28 3ag1 s TYR 192 N 0.64 1.32 -0.03 0.29 1.51 0.13 -4.96 117.35 116.26 3ag1 s TYR 192 Ca -0.08 -0.48 0.03 0.00 -1.01 0.00 0.00 57.07 55.53 3ag1 s TYR 192 Cb -0.16 -0.99 -0.03 0.00 -0.11 0.00 0.00 41.96 40.67 3ag1 s TYR 192 CO 0.03 -0.27 -0.09 0.71 -1.11 0.00 0.00 175.55 174.82 3ag1 s TYR 193 N 0.75 2.84 0.32 2.71 2.02 -1.26 -0.38 117.35 124.35 3ag1 s TYR 193 Ca -0.13 -0.06 -0.01 0.00 -0.37 0.00 0.00 57.07 56.50 3ag1 s TYR 193 Cb -0.15 -1.63 -0.01 0.00 -0.40 0.00 0.00 41.96 39.76 3ag1 s TYR 193 CO 0.03 0.31 0.40 0.20 -1.57 0.00 0.00 175.55 174.92 3ag1 s GLY 194 N -1.08 1.60 -0.01 0.71 0.00 0.42 -4.22 107.32 104.74 3ag1 s GLY 194 Ca 0.14 -1.61 -0.06 0.00 0.00 0.00 0.00 44.72 43.19 3ag1 s GLY 194 CO 0.04 -1.11 0.12 1.20 0.00 0.00 0.00 173.10 173.35 3ag1 s GLN 195 N -3.32 0.37 0.28 2.90 -0.21 -1.21 0.13 119.66 118.60 3ag1 s GLN 195 Ca 0.33 -0.25 -0.30 0.00 0.02 0.00 0.00 55.36 55.16 3ag1 s GLN 195 Cb 0.01 0.16 -0.13 0.00 1.00 0.00 0.00 33.01 34.05 3ag1 s GLN 195 CO 0.20 -0.08 1.44 0.00 -2.12 0.00 0.00 175.29 174.73 3ag1 n SER 197 N 1.85 1.97 -3.66 0.00 7.64 -0.55 -4.90 113.62 115.96 3ag1 n SER 197 Ca 0.09 -3.41 -0.08 0.00 1.01 0.00 0.00 58.87 56.48 3ag1 n SER 197 Cb 0.34 -0.46 -0.09 0.00 -1.01 0.00 0.00 64.21 62.99 3ag1 n SER 197 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3ag1 s GLU 198 N -2.63 0.36 0.03 1.43 2.56 -1.26 -4.63 118.70 114.56 3ag1 s GLU 198 Ca 0.38 1.03 -0.36 0.00 0.00 0.00 0.00 54.97 56.02 3ag1 s GLU 198 Cb 0.38 0.30 -0.15 0.00 2.00 0.00 0.00 34.13 36.66 3ag1 s GLU 198 CO -0.08 -0.23 1.53 1.51 -0.56 0.00 0.00 175.26 177.43 3ag1 n ILE 199 N 5.16 0.11 -0.90 -3.70 3.06 -1.26 -4.46 119.36 117.37 3ag1 n ILE 199 Ca -0.12 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.11 3ag1 n ILE 199 Cb 0.51 -1.20 0.00 0.00 0.54 0.00 0.00 39.64 39.49 3ag1 n ILE 199 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ag1 n GLY 201 N -0.04 0.76 0.42 0.00 0.00 -1.26 -4.81 105.19 100.25 3ag1 n GLY 201 Ca 0.00 -2.05 0.32 0.00 0.00 0.00 0.00 46.02 44.28 3ag1 n GLY 201 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ag1 h SER 202 N 0.00 0.34 0.00 1.61 0.02 -2.03 -2.68 113.55 110.81 3ag1 h SER 202 Ca 0.00 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3ag1 h SER 202 Cb 0.00 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3ag1 h SER 202 CO 0.00 -0.16 -0.48 0.59 -1.14 0.00 0.00 176.83 175.64 3ag1 n ASN 203 N -4.82 1.73 -0.35 3.07 3.02 -1.26 -4.68 115.26 111.97 3ag1 n ASN 203 Ca 0.34 -3.72 0.17 0.00 -0.03 0.00 0.00 54.58 51.35 3ag1 n ASN 203 Cb 1.24 -0.51 0.39 0.00 -0.61 0.00 0.00 39.78 40.30 3ag1 n ASN 203 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 3ag1 h HIS 204 N 0.89 1.01 0.00 3.10 -0.00 -1.79 -1.82 115.15 116.53 3ag1 h HIS 204 Ca -0.01 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3ag1 h HIS 204 Cb 1.05 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 28.17 3ag1 h HIS 204 CO 0.65 0.07 0.00 0.43 -0.00 0.00 0.00 177.93 179.08 3ag1 n SER 205 N -4.87 0.00 -1.78 3.26 7.64 -1.26 -4.02 113.62 112.59 3ag1 n SER 205 Ca 0.27 0.06 -0.04 0.00 1.01 0.00 0.00 58.87 60.17 3ag1 n SER 205 Cb 0.74 -0.33 0.07 0.00 -1.01 0.00 0.00 64.21 63.68 3ag1 n SER 205 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3ag1 n PHE 206 N -1.33 1.02 -3.47 1.43 0.99 -0.68 -4.85 117.46 110.56 3ag1 n PHE 206 Ca 0.10 -1.60 -0.27 0.00 -0.00 0.00 0.00 57.45 55.69 3ag1 n PHE 206 Cb 0.21 -0.24 -0.10 0.00 -1.00 0.00 0.00 39.48 38.35 3ag1 n PHE 206 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ag1 n MET 207 N -0.47 0.89 -2.01 -1.08 0.00 -1.25 -4.49 117.12 108.71 3ag1 n MET 207 Ca 0.19 -3.63 -0.28 0.00 0.00 0.00 0.00 57.70 53.97 3ag1 n MET 207 Cb 0.90 -1.78 0.12 0.00 0.00 0.00 0.00 33.22 32.47 3ag1 n MET 207 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3ag1 s PRO 208 N -0.78 1.48 -0.12 3.17 0.04 -1.26 -3.24 135.00 134.29 3ag1 s PRO 208 Ca 0.32 -0.24 0.01 0.00 0.04 0.00 0.00 61.00 61.14 3ag1 s PRO 208 Cb 0.06 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.64 3ag1 s PRO 208 CO -0.16 -1.84 -0.15 0.42 0.04 0.00 0.00 177.00 175.32 3ag1 s ILE 209 N -3.61 1.49 -0.13 0.56 1.01 0.12 -4.82 121.20 115.82 3ag1 s ILE 209 Ca 0.67 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.70 3ag1 s ILE 209 Cb -0.08 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 41.04 3ag1 s ILE 209 CO 0.49 0.44 -0.14 -0.69 0.00 0.00 0.00 174.94 175.05 3ag1 s VAL 210 N 1.12 1.49 -0.07 2.92 1.01 -1.26 -0.43 120.40 125.17 3ag1 s VAL 210 Ca -0.04 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 3ag1 s VAL 210 Cb -0.14 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 3ag1 s VAL 210 CO -0.04 0.44 0.36 -0.76 0.00 0.00 0.00 175.10 175.11 3ag1 s LEU 211 N 1.32 4.37 -0.29 3.92 1.43 0.49 -0.89 118.68 129.04 3ag1 s LEU 211 Ca 0.01 0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 53.86 3ag1 s LEU 211 Cb -0.14 -2.50 0.04 0.00 0.03 0.00 0.00 46.19 43.63 3ag1 s LEU 211 CO -0.07 0.22 -0.01 -0.70 0.23 0.00 0.00 176.35 176.02 3ag1 s GLU 212 N -0.39 2.56 -0.26 1.70 2.12 0.73 -0.69 118.70 124.47 3ag1 s GLU 212 Ca 0.21 -1.17 -0.07 0.00 0.36 0.00 0.00 54.97 54.30 3ag1 s GLU 212 Cb -0.15 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 3ag1 s GLU 212 CO 0.09 -0.55 0.07 -0.51 -0.54 0.00 0.00 175.26 173.82 3ag1 s LEU 213 N 1.28 3.50 0.20 2.70 2.01 0.54 -0.46 118.68 128.46 3ag1 s LEU 213 Ca -0.04 -0.31 -0.03 0.00 0.01 0.00 0.00 54.13 53.77 3ag1 s LEU 213 Cb -0.19 -1.91 -0.03 0.00 0.01 0.00 0.00 46.19 44.07 3ag1 s LEU 213 CO -0.02 -0.07 0.18 0.68 1.01 0.00 0.00 176.35 178.14 3ag1 s VAL 214 N 1.59 0.01 0.46 -1.59 -7.23 -0.33 -1.62 120.40 111.68 3ag1 s VAL 214 Ca 0.06 -1.88 -0.24 0.00 -1.81 0.00 0.00 61.98 58.10 3ag1 s VAL 214 Cb -0.15 -2.39 -0.07 0.00 0.56 0.00 0.00 36.38 34.33 3ag1 s VAL 214 CO 0.03 -0.06 1.31 -2.84 -0.31 0.00 0.00 175.10 173.24 3ag1 s PRO 215 N -4.12 3.69 0.28 4.82 0.02 -1.26 -0.73 135.00 137.69 3ag1 s PRO 215 Ca 0.34 2.15 0.03 0.00 0.02 0.00 0.00 61.00 63.54 3ag1 s PRO 215 Cb 0.06 -2.56 0.70 0.00 0.02 0.00 0.00 34.50 32.71 3ag1 s PRO 215 CO 0.10 -0.72 1.38 -0.11 -0.33 0.00 0.00 177.00 177.31 3ag1 n LEU 216 N -0.31 -0.08 -0.19 -5.54 7.94 -1.26 -0.99 117.00 116.58 3ag1 n LEU 216 Ca 0.06 1.49 -0.07 0.00 -1.11 0.00 0.00 56.01 56.38 3ag1 n LEU 216 Cb 0.44 -0.55 0.03 0.00 0.53 0.00 0.00 43.42 43.87 3ag1 n LEU 216 CO 0.54 -1.52 1.10 0.11 -1.11 0.00 0.00 177.39 176.51 3ag1 h LYS 217 N 0.00 0.71 -0.39 1.96 1.79 -2.00 0.17 116.57 118.81 3ag1 h LYS 217 Ca 0.54 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.87 3ag1 h LYS 217 Cb 1.14 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.62 3ag1 h LYS 217 CO -0.82 0.47 -0.16 1.88 -1.08 0.00 0.00 179.45 179.74 3ag1 h TYR 218 N 0.73 0.81 -0.46 -1.35 0.05 -1.43 -2.68 116.97 112.64 3ag1 h TYR 218 Ca 0.20 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 3ag1 h TYR 218 Cb -0.08 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.43 3ag1 h TYR 218 CO -0.04 0.84 0.27 0.35 -1.05 0.00 0.00 178.16 178.54 3ag1 h PHE 219 N 0.65 0.62 -0.62 4.88 3.57 0.31 0.01 116.94 126.36 3ag1 h PHE 219 Ca 0.10 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.62 3ag1 h PHE 219 Cb 0.63 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 3ag1 h PHE 219 CO 0.03 0.44 0.39 0.93 -2.23 0.00 0.00 178.31 177.87 3ag1 h GLU 220 N 0.61 0.76 -0.38 1.11 5.08 -0.68 0.65 114.58 121.74 3ag1 h GLU 220 Ca 0.17 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3ag1 h GLU 220 Cb 0.01 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3ag1 h GLU 220 CO -0.03 0.50 -0.12 0.87 -1.00 0.00 0.00 179.01 179.23 3ag1 h LYS 221 N 0.78 0.75 -0.48 2.33 1.57 -1.14 -2.08 116.57 118.30 3ag1 h LYS 221 Ca 0.24 -0.30 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3ag1 h LYS 221 Cb -0.02 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 3ag1 h LYS 221 CO -0.08 0.91 0.20 2.35 -0.57 0.00 0.00 179.45 182.25 3ag1 h TRP 222 N 0.55 0.36 -0.29 -1.35 7.01 -0.77 -1.97 115.95 119.49 3ag1 h TRP 222 Ca 0.09 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.11 3ag1 h TRP 222 Cb 0.65 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 3ag1 h TRP 222 CO 0.05 0.15 0.16 0.77 -2.79 0.00 0.00 178.44 176.78 3ag1 h SER 223 N 0.39 0.35 -0.90 2.65 0.02 -0.61 -2.16 113.55 113.29 3ag1 h SER 223 Ca 0.22 -0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 3ag1 h SER 223 Cb 0.19 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 3ag1 h SER 223 CO -0.20 0.33 0.59 0.00 -1.14 0.00 0.00 176.83 176.41 3ag1 h ALA 224 N 1.04 1.46 0.00 3.77 0.00 -1.10 -1.95 119.26 122.48 3ag1 h ALA 224 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ag1 h ALA 224 Cb 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3ag1 h ALA 224 CO -0.02 0.43 0.00 -1.13 0.00 0.00 0.00 179.25 178.53 3ag1 n SER 225 N -4.46 0.00 -0.47 0.00 3.41 -0.77 -3.24 113.62 108.09 3ag1 n SER 225 Ca 0.13 -0.55 0.09 0.00 -0.26 0.00 0.00 58.87 58.27 3ag1 n SER 225 Cb 0.14 -0.14 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3ag1 n SER 225 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3ag1 n MET 226 N -1.14 1.58 0.00 4.33 2.81 -0.74 -5.08 117.12 118.88 3ag1 n MET 226 Ca 0.19 -1.03 0.09 0.00 -1.81 0.00 0.00 57.70 55.14 3ag1 n MET 226 Cb 0.17 -1.32 0.54 0.00 -0.71 0.00 0.00 33.22 31.90 3ag1 n MET 226 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76