#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 s TYR 3 N 0.00 1.24 0.35 0.00 -0.85 -1.26 -5.08 117.35 111.76 3ag3 s TYR 3 Ca 0.00 -0.71 -0.28 0.00 -0.52 0.00 0.00 57.07 55.56 3ag3 s TYR 3 Cb 0.00 -0.64 -0.12 0.00 0.38 0.00 0.00 41.96 41.58 3ag3 s TYR 3 CO 0.00 0.07 1.42 -2.30 -1.52 0.00 0.00 175.55 173.23 3ag3 n PRO 4 N 0.06 2.46 -1.29 -3.49 -0.02 -1.26 -1.83 135.00 129.63 3ag3 n PRO 4 Ca -0.12 0.86 -0.10 0.00 -2.02 0.00 0.00 63.50 62.12 3ag3 n PRO 4 Cb 0.59 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 3ag3 n PRO 4 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3ag3 n MET 5 N 0.71 -1.27 -1.92 -0.52 2.81 -1.26 -4.98 117.12 110.70 3ag3 n MET 5 Ca 0.04 0.81 -0.39 0.00 -1.81 0.00 0.00 57.70 56.35 3ag3 n MET 5 Cb 0.37 -4.98 0.01 0.00 -0.71 0.00 0.00 33.22 27.92 3ag3 n MET 5 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3ag3 s GLN 6 N -2.68 3.63 -0.12 0.03 0.74 -0.76 -4.92 119.66 115.57 3ag3 s GLN 6 Ca 0.00 2.22 0.06 0.00 0.05 0.00 0.00 55.36 57.69 3ag3 s GLN 6 Cb 0.00 -2.55 -0.12 0.00 1.10 0.00 0.00 33.01 31.44 3ag3 s GLN 6 CO 0.00 -0.79 -0.03 1.28 -0.55 0.00 0.00 175.29 175.20 3ag3 n LEU 7 N -0.35 1.19 0.00 3.68 4.77 -1.26 -5.05 117.00 119.97 3ag3 n LEU 7 Ca 0.06 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3ag3 n LEU 7 Cb 0.44 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3ag3 n LEU 7 CO 0.55 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 3ag3 n GLY 8 N 2.53 6.94 3.77 -0.72 0.00 -1.26 -5.11 105.19 111.34 3ag3 n GLY 8 Ca -0.21 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.44 3ag3 n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ag3 s PHE 9 N 1.23 2.80 0.41 1.61 0.40 -1.26 -5.02 117.98 118.15 3ag3 s PHE 9 Ca 0.00 1.53 -0.23 0.00 -0.60 0.00 0.00 56.93 57.62 3ag3 s PHE 9 Cb 0.00 -3.39 -0.12 0.00 0.51 0.00 0.00 43.02 40.02 3ag3 s PHE 9 CO 0.00 -1.61 0.76 1.04 0.70 0.00 0.00 175.22 176.11 3ag3 n GLN 10 N -0.66 0.89 -1.69 0.44 6.02 -1.26 -4.93 117.38 116.20 3ag3 n GLN 10 Ca 0.08 0.32 -0.37 0.00 -0.01 0.00 0.00 57.00 57.03 3ag3 n GLN 10 Cb 0.48 -1.73 0.07 0.00 1.02 0.00 0.00 30.24 30.08 3ag3 n GLN 10 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3ag3 s ASP 11 N -0.86 4.51 0.13 1.08 -0.00 -1.26 -4.89 116.67 115.37 3ag3 s ASP 11 Ca 0.63 2.62 -0.30 0.00 -0.00 0.00 0.00 52.55 55.51 3ag3 s ASP 11 Cb -0.60 -2.62 -0.07 0.00 -0.00 0.00 0.00 42.92 39.64 3ag3 s ASP 11 CO 0.57 -2.07 1.11 0.00 -0.00 0.00 0.00 175.17 174.78 3ag3 s ALA 12 N -1.43 3.35 -0.11 5.23 0.00 -1.26 -4.78 121.76 122.77 3ag3 s ALA 12 Ca 0.82 0.79 0.18 0.00 0.00 0.00 0.00 51.96 53.75 3ag3 s ALA 12 Cb -0.37 -3.38 -0.26 0.00 0.00 0.00 0.00 23.12 19.11 3ag3 s ALA 12 CO 0.41 -0.27 0.22 2.41 0.00 0.00 0.00 175.76 178.53 3ag3 n THR 13 N 2.96 0.69 -4.37 0.00 -1.04 -0.39 -4.92 114.28 107.21 3ag3 n THR 13 Ca 0.05 -0.62 -0.28 0.00 -2.04 0.00 0.00 64.05 61.16 3ag3 n THR 13 Cb 0.47 -0.27 -0.11 0.00 -1.82 0.00 0.00 70.33 68.60 3ag3 n THR 13 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ag3 s SER 14 N -4.79 3.66 0.52 8.00 1.04 -1.25 -0.66 113.70 120.22 3ag3 s SER 14 Ca -0.08 -0.74 0.26 0.00 0.48 0.00 0.00 55.95 55.86 3ag3 s SER 14 Cb 0.08 -0.39 1.44 0.00 0.10 0.00 0.00 66.02 67.25 3ag3 s SER 14 CO 0.77 0.13 2.09 -0.65 0.98 0.00 0.00 173.24 176.56 3ag3 h PRO 15 N 3.32 0.00 -0.66 4.02 0.11 -1.95 -1.55 132.00 135.28 3ag3 h PRO 15 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3ag3 h PRO 15 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3ag3 h PRO 15 CO 0.48 0.11 0.34 0.82 -0.21 0.00 0.00 178.00 179.54 3ag3 h ILE 16 N 0.00 1.22 -0.36 4.15 1.08 -1.93 -2.05 117.51 119.61 3ag3 h ILE 16 Ca -0.00 -0.57 -0.05 0.00 -0.39 0.00 0.00 64.86 63.85 3ag3 h ILE 16 Cb 0.28 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 3ag3 h ILE 16 CO 0.01 0.24 0.03 -0.03 -0.69 0.00 0.00 178.15 177.72 3ag3 h MET 17 N 0.91 0.55 -0.46 2.37 4.05 -1.55 -0.86 114.93 119.94 3ag3 h MET 17 Ca 0.23 -0.11 -0.12 0.00 -0.28 0.00 0.00 59.70 59.42 3ag3 h MET 17 Cb 0.08 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 3ag3 h MET 17 CO -0.03 0.55 -0.19 0.93 0.23 0.00 0.00 176.91 178.40 3ag3 h GLU 18 N 0.53 0.93 -0.58 0.39 5.08 -0.87 -0.77 114.58 119.29 3ag3 h GLU 18 Ca 0.12 -0.39 0.11 0.00 -1.00 0.00 0.00 59.36 58.20 3ag3 h GLU 18 Cb 0.29 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 3ag3 h GLU 18 CO 0.01 1.05 0.08 0.93 -1.00 0.00 0.00 179.01 180.08 3ag3 h GLU 19 N 0.78 0.20 -0.49 2.33 4.39 -1.11 -1.61 114.58 119.07 3ag3 h GLU 19 Ca 0.11 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 3ag3 h GLU 19 Cb 0.76 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 3ag3 h GLU 19 CO 0.06 0.13 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.91 3ag3 h LEU 20 N 0.21 0.85 -0.53 1.33 3.38 -0.19 -1.13 115.31 119.23 3ag3 h LEU 20 Ca 0.30 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ag3 h LEU 20 Cb 0.46 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3ag3 h LEU 20 CO -0.42 0.95 0.34 -0.07 0.09 0.00 0.00 178.44 179.34 3ag3 h LEU 21 N 0.79 0.59 -0.55 1.67 3.38 -0.48 0.44 115.31 121.15 3ag3 h LEU 21 Ca 0.14 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3ag3 h LEU 21 Cb 0.57 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3ag3 h LEU 21 CO 0.03 0.42 0.05 0.45 0.09 0.00 0.00 178.44 179.49 3ag3 h HIS 22 N 0.70 1.00 -0.61 1.13 3.86 -0.99 0.37 115.15 120.61 3ag3 h HIS 22 Ca 0.20 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3ag3 h HIS 22 Cb -0.05 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.12 3ag3 h HIS 22 CO -0.04 0.90 0.30 0.35 0.86 0.00 0.00 177.93 180.30 3ag3 h PHE 23 N 0.82 0.88 -0.76 2.45 3.04 -1.01 -2.02 116.94 120.34 3ag3 h PHE 23 Ca 0.16 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.03 3ag3 h PHE 23 Cb 0.46 -0.27 -0.03 0.00 2.56 0.00 0.00 35.95 38.67 3ag3 h PHE 23 CO 0.03 0.66 0.33 1.25 -2.02 0.00 0.00 178.31 178.56 3ag3 h HIS 24 N 0.84 1.13 -0.98 0.41 2.76 0.15 -0.59 115.15 118.87 3ag3 h HIS 24 Ca 0.21 -0.07 0.05 0.00 -2.20 0.00 0.00 60.37 58.36 3ag3 h HIS 24 Cb 0.10 -0.34 -0.06 0.00 1.55 0.00 0.00 27.41 28.66 3ag3 h HIS 24 CO -0.00 0.85 0.64 -0.44 -1.30 0.00 0.00 177.93 177.68 3ag3 h ASP 25 N 1.10 1.05 -0.18 3.26 3.32 -0.67 0.30 116.42 124.60 3ag3 h ASP 25 Ca 0.26 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 3ag3 h ASP 25 Cb 0.18 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3ag3 h ASP 25 CO -0.03 0.70 -0.01 -0.74 -1.72 0.00 0.00 179.24 177.44 3ag3 h HIS 26 N 1.21 0.36 -0.56 4.55 -0.00 -1.02 -1.56 115.15 118.14 3ag3 h HIS 26 Ca 0.40 -0.07 -0.11 0.00 -0.00 0.00 0.00 60.37 60.60 3ag3 h HIS 26 Cb 0.06 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 3ag3 h HIS 26 CO -0.00 0.55 -0.08 1.15 -0.00 0.00 0.00 177.93 179.56 3ag3 h THR 27 N 0.06 1.27 -0.14 6.26 2.02 -0.70 -2.76 112.91 118.93 3ag3 h THR 27 Ca 0.05 -1.23 -0.10 0.00 0.77 0.00 0.00 66.41 65.91 3ag3 h THR 27 Cb 0.42 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3ag3 h THR 27 CO 0.01 0.44 -0.35 0.25 0.37 0.00 0.00 175.52 176.24 3ag3 h LEU 28 N 0.92 0.28 -0.47 2.58 5.85 -0.30 -0.17 115.31 124.00 3ag3 h LEU 28 Ca 0.15 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3ag3 h LEU 28 Cb 0.63 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3ag3 h LEU 28 CO 0.04 0.62 0.30 -0.03 -0.34 0.00 0.00 178.44 179.03 3ag3 h MET 29 N 0.24 0.63 -0.66 1.25 4.05 -1.05 -0.83 114.93 118.55 3ag3 h MET 29 Ca 0.03 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 3ag3 h MET 29 Cb 0.73 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 3ag3 h MET 29 CO 0.06 0.44 0.19 0.82 0.23 0.00 0.00 176.91 178.64 3ag3 h ILE 30 N 0.63 1.25 -0.67 1.77 2.04 -1.13 -1.05 117.51 120.36 3ag3 h ILE 30 Ca 0.17 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 3ag3 h ILE 30 Cb -0.04 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3ag3 h ILE 30 CO -0.03 0.34 0.27 0.58 0.00 0.00 0.00 178.15 179.31 3ag3 h VAL 31 N 0.97 1.24 -0.42 1.67 2.07 -0.78 -0.19 116.25 120.81 3ag3 h VAL 31 Ca 0.21 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 3ag3 h VAL 31 Cb 0.32 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 3ag3 h VAL 31 CO -0.00 0.30 0.06 -0.26 0.02 0.00 0.00 177.57 177.69 3ag3 h PHE 32 N 0.94 0.75 -0.13 1.57 0.05 -0.96 -1.43 116.94 117.72 3ag3 h PHE 32 Ca 0.22 -0.11 -0.00 0.00 3.82 0.00 0.00 57.97 61.90 3ag3 h PHE 32 Cb 0.21 -0.20 -0.01 0.00 2.00 0.00 0.00 35.95 37.94 3ag3 h PHE 32 CO 0.01 0.73 0.08 -0.07 -0.18 0.00 0.00 178.31 178.88 3ag3 h LEU 33 N 0.56 0.17 -0.18 1.54 4.07 -0.98 -0.46 115.31 120.02 3ag3 h LEU 33 Ca 0.13 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 3ag3 h LEU 33 Cb 0.39 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 3ag3 h LEU 33 CO 0.01 0.19 0.02 0.40 -1.08 0.00 0.00 178.44 177.98 3ag3 h ILE 34 N 0.13 1.23 -0.71 1.22 2.04 -0.95 0.26 117.51 120.73 3ag3 h ILE 34 Ca 0.05 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 3ag3 h ILE 34 Cb 0.06 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3ag3 h ILE 34 CO -0.01 0.23 0.35 0.77 0.00 0.00 0.00 178.15 179.49 3ag3 h SER 35 N 0.09 0.91 0.45 1.72 4.64 -1.22 -0.45 113.55 119.68 3ag3 h SER 35 Ca 0.05 -0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 61.09 3ag3 h SER 35 Cb 0.33 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3ag3 h SER 35 CO 0.01 0.76 -0.83 0.77 -0.87 0.00 0.00 176.83 176.67 3ag3 h SER 36 N 1.00 0.35 -0.64 4.97 4.64 -0.86 -0.93 113.55 122.10 3ag3 h SER 36 Ca 0.25 -0.26 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 3ag3 h SER 36 Cb 0.09 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 3ag3 h SER 36 CO -0.03 1.03 0.19 0.25 -0.87 0.00 0.00 176.83 177.40 3ag3 h LEU 37 N 0.17 0.93 -0.49 5.97 5.85 0.00 0.15 115.31 127.89 3ag3 h LEU 37 Ca -0.04 -0.21 -0.13 0.00 0.84 0.00 0.00 57.88 58.33 3ag3 h LEU 37 Cb 1.44 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3ag3 h LEU 37 CO 0.13 0.90 -0.21 0.58 -0.34 0.00 0.00 178.44 179.50 3ag3 h VAL 38 N 0.92 1.27 -0.55 1.05 2.07 -0.86 -0.70 116.25 119.45 3ag3 h VAL 38 Ca 0.20 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.28 3ag3 h VAL 38 Cb 0.30 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3ag3 h VAL 38 CO -0.01 0.48 0.08 0.25 0.02 0.00 0.00 177.57 178.39 3ag3 h LEU 39 N 0.87 0.83 0.12 2.57 5.85 -1.00 -0.67 115.31 123.88 3ag3 h LEU 39 Ca 0.11 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3ag3 h LEU 39 Cb 0.80 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3ag3 h LEU 39 CO 0.07 0.84 -0.06 0.22 -0.34 0.00 0.00 178.44 179.17 3ag3 h TYR 40 N 0.83 -0.14 -0.64 1.25 3.20 -0.58 -1.30 116.97 119.58 3ag3 h TYR 40 Ca 0.17 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.05 3ag3 h TYR 40 Cb 0.38 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 3ag3 h TYR 40 CO 0.02 0.16 0.41 0.82 -1.64 0.00 0.00 178.16 177.94 3ag3 h ILE 41 N -0.46 1.13 -0.35 1.81 2.04 -1.02 0.25 117.51 120.92 3ag3 h ILE 41 Ca -0.02 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 65.63 3ag3 h ILE 41 Cb 0.37 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 3ag3 h ILE 41 CO 0.03 0.15 -0.14 0.40 0.00 0.00 0.00 178.15 178.58 3ag3 h ILE 42 N 0.83 0.54 -0.37 -0.67 2.04 -0.97 0.15 117.51 119.05 3ag3 h ILE 42 Ca 0.25 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.08 3ag3 h ILE 42 Cb -0.05 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3ag3 h ILE 42 CO -0.07 0.00 0.10 0.77 0.00 0.00 0.00 178.15 178.95 3ag3 h SER 43 N -0.08 0.49 -0.36 1.72 4.64 0.07 -1.87 113.55 118.16 3ag3 h SER 43 Ca 0.18 -0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 61.27 3ag3 h SER 43 Cb 0.34 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3ag3 h SER 43 CO -0.40 0.48 -0.41 0.25 -0.87 0.00 0.00 176.83 175.88 3ag3 h LEU 44 N 0.53 0.99 -2.04 5.97 5.85 0.92 -2.47 115.31 125.06 3ag3 h LEU 44 Ca 0.13 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 3ag3 h LEU 44 Cb 0.18 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3ag3 h LEU 44 CO -0.01 1.26 -0.08 0.24 -0.34 0.00 0.00 178.44 179.51 3ag3 h MET 45 N 0.74 0.00 -0.33 1.25 2.86 0.03 -2.95 114.93 116.53 3ag3 h MET 45 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3ag3 h MET 45 Cb 1.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.67 3ag3 h MET 45 CO 0.10 0.08 0.00 1.28 1.06 0.00 0.00 176.91 179.43 3ag3 n LEU 46 N -3.54 2.95 -1.05 1.22 4.77 -0.95 -4.57 117.00 115.83 3ag3 n LEU 46 Ca -0.02 -1.68 -0.01 0.00 -0.03 0.00 0.00 56.01 54.27 3ag3 n LEU 46 Cb 0.21 -0.22 0.15 0.00 -2.33 0.00 0.00 43.42 41.24 3ag3 n LEU 46 CO 0.28 0.69 0.29 0.35 -1.33 0.00 0.00 177.39 177.67 3ag3 n THR 47 N 0.87 2.08 -4.08 -5.08 -2.24 -1.11 -5.00 114.28 99.72 3ag3 n THR 47 Ca 0.14 -3.27 -0.14 0.00 -2.27 0.00 0.00 64.05 58.50 3ag3 n THR 47 Cb 0.45 -0.30 -0.14 0.00 -2.10 0.00 0.00 70.33 68.25 3ag3 n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3ag3 s THR 48 N -3.30 0.33 -0.94 4.28 -1.32 -1.26 -5.01 115.64 108.42 3ag3 s THR 48 Ca 0.40 -0.28 0.27 0.00 -1.21 0.00 0.00 61.69 60.87 3ag3 s THR 48 Cb 0.38 -0.30 0.24 0.00 -1.51 0.00 0.00 72.50 71.31 3ag3 s THR 48 CO -0.05 0.02 1.85 0.29 -2.21 0.00 0.00 174.62 174.52 3ag3 n LYS 49 N 2.79 0.05 -2.11 7.08 4.76 -1.26 -4.88 118.16 124.59 3ag3 n LYS 49 Ca -0.14 0.07 -0.40 0.00 -2.87 0.00 0.00 58.31 54.98 3ag3 n LYS 49 Cb 0.58 -1.56 -0.01 0.00 -1.84 0.00 0.00 35.03 32.20 3ag3 n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ag3 s LEU 50 N -3.31 4.26 0.13 -0.35 1.43 -1.26 -5.02 118.68 114.57 3ag3 s LEU 50 Ca 0.12 2.61 0.06 0.00 -1.03 0.00 0.00 54.13 55.90 3ag3 s LEU 50 Cb 0.17 -3.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 3ag3 s LEU 50 CO 0.51 -0.74 -0.14 0.42 0.23 0.00 0.00 176.35 176.63 3ag3 s THR 51 N -1.25 1.35 -0.29 5.49 -4.23 -1.26 -5.11 115.64 110.33 3ag3 s THR 51 Ca 0.55 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 3ag3 s THR 51 Cb -0.37 -1.62 0.18 0.00 1.34 0.00 0.00 72.50 72.03 3ag3 s THR 51 CO 0.48 -0.48 0.55 -2.28 -0.54 0.00 0.00 174.62 172.35 3ag3 s HIS 52 N -2.37 -1.50 0.00 3.99 5.04 -1.26 -5.04 115.29 114.15 3ag3 s HIS 52 Ca 0.11 1.30 0.00 0.00 -1.54 0.00 0.00 55.06 54.94 3ag3 s HIS 52 Cb -0.04 0.36 0.00 0.00 0.04 0.00 0.00 32.58 32.94 3ag3 s HIS 52 CO 0.03 -0.91 0.51 0.25 -2.34 0.00 0.00 174.74 172.27 3ag3 n THR 53 N 5.41 0.23 -1.98 0.89 -2.24 -1.26 -5.01 114.28 110.32 3ag3 n THR 53 Ca 0.00 -0.45 -0.28 0.00 -2.27 0.00 0.00 64.05 61.05 3ag3 n THR 53 Cb 0.51 1.10 0.08 0.00 -2.10 0.00 0.00 70.33 69.93 3ag3 n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ag3 s SER 54 N -0.23 4.65 0.22 3.42 1.04 -1.26 -4.94 113.70 116.60 3ag3 s SER 54 Ca 0.00 0.72 -0.32 0.00 0.48 0.00 0.00 55.95 56.84 3ag3 s SER 54 Cb 0.00 -1.28 -0.13 0.00 0.10 0.00 0.00 66.02 64.72 3ag3 s SER 54 CO 0.00 -1.79 1.63 0.41 0.98 0.00 0.00 173.24 174.47 3ag3 n THR 55 N -3.20 0.32 -4.41 2.02 -1.04 -1.26 -5.00 114.28 101.72 3ag3 n THR 55 Ca 0.08 -0.08 -0.34 0.00 -2.04 0.00 0.00 64.05 61.66 3ag3 n THR 55 Cb 0.61 -1.82 -0.10 0.00 -1.82 0.00 0.00 70.33 67.19 3ag3 n THR 55 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3ag3 s MET 56 N 0.58 3.16 -0.03 -2.82 1.00 -1.26 -5.10 119.30 114.82 3ag3 s MET 56 Ca 0.73 -0.45 -0.30 0.00 0.00 0.00 0.00 55.69 55.66 3ag3 s MET 56 Cb -0.56 -2.81 -0.04 0.00 0.00 0.00 0.00 34.83 31.42 3ag3 s MET 56 CO 0.39 0.56 1.21 0.34 0.00 0.00 0.00 175.02 177.52 3ag3 s ASP 57 N -0.50 7.05 -0.03 3.03 2.15 -1.26 -4.96 116.67 122.15 3ag3 s ASP 57 Ca 0.08 1.86 0.21 0.00 0.43 0.00 0.00 52.55 55.14 3ag3 s ASP 57 Cb -0.12 -2.56 -0.33 0.00 -0.30 0.00 0.00 42.92 39.61 3ag3 s ASP 57 CO 0.02 -0.57 0.48 0.00 -0.17 0.00 0.00 175.17 174.93 3ag3 n ALA 58 N 4.99 2.83 -2.87 3.66 0.00 -1.26 -4.78 120.51 123.08 3ag3 n ALA 58 Ca 0.11 -0.51 -0.43 0.00 0.00 0.00 0.00 53.44 52.60 3ag3 n ALA 58 Cb 0.46 -0.73 -0.03 0.00 0.00 0.00 0.00 19.45 19.15 3ag3 n ALA 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ag3 s GLN 59 N -3.47 3.46 0.00 0.00 2.00 -1.26 -1.63 119.66 118.76 3ag3 s GLN 59 Ca -0.07 -1.44 0.00 0.00 -2.00 0.00 0.00 55.36 51.85 3ag3 s GLN 59 Cb 0.14 -4.77 0.00 0.00 0.80 0.00 0.00 33.01 29.17 3ag3 s GLN 59 CO 0.89 -1.83 0.00 -0.85 -0.50 0.00 0.00 175.29 173.00 3ag3 n GLU 60 N 7.11 0.00 0.10 1.67 -0.00 -1.26 -4.85 120.64 123.41 3ag3 n GLU 60 Ca 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 57.16 57.29 3ag3 n GLU 60 Cb 0.48 0.00 0.13 0.00 -0.00 0.00 0.00 31.44 32.05 3ag3 n GLU 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 3ag3 h VAL 61 N 0.00 1.42 0.00 3.84 3.04 -1.83 -2.40 116.25 120.33 3ag3 h VAL 61 Ca 0.00 -2.09 -0.04 0.00 -1.01 0.00 0.00 66.70 63.56 3ag3 h VAL 61 Cb 0.00 2.10 -0.01 0.00 -2.01 0.00 0.00 31.29 31.37 3ag3 h VAL 61 CO 0.00 0.61 -0.19 -0.33 -1.01 0.00 0.00 177.57 176.65 3ag3 h GLU 62 N 0.10 0.00 -0.17 4.17 5.08 -1.64 -1.63 114.58 120.50 3ag3 h GLU 62 Ca -0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3ag3 h GLU 62 Cb 1.14 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 3ag3 h GLU 62 CO 0.09 0.19 -0.05 1.15 -1.00 0.00 0.00 179.01 179.39 3ag3 h THR 63 N 0.00 0.81 -0.54 1.13 2.02 -1.71 -2.43 112.91 112.19 3ag3 h THR 63 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3ag3 h THR 63 Cb 0.67 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3ag3 h THR 63 CO 0.03 0.00 0.05 0.40 0.37 0.00 0.00 175.52 176.37 3ag3 h ILE 64 N -0.02 1.26 -0.16 3.11 1.08 -1.35 0.45 117.51 121.87 3ag3 h ILE 64 Ca 0.08 -1.01 0.00 0.00 -0.39 0.00 0.00 64.86 63.54 3ag3 h ILE 64 Cb 0.14 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 3ag3 h ILE 64 CO -0.18 0.36 0.00 -2.67 -0.69 0.00 0.00 178.15 174.97 3ag3 n TRP 65 N -4.33 0.24 -0.03 1.37 2.14 -0.68 -1.55 117.44 114.60 3ag3 n TRP 65 Ca 0.02 -0.12 -0.05 0.00 2.07 0.00 0.00 57.50 59.43 3ag3 n TRP 65 Cb 0.29 -0.01 -0.02 0.00 -0.81 0.00 0.00 31.31 30.75 3ag3 n TRP 65 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 3ag3 n THR 66 N -0.00 0.30 -0.12 -1.67 -2.24 -0.93 -4.52 114.28 105.11 3ag3 n THR 66 Ca 0.06 -0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.62 3ag3 n THR 66 Cb 0.16 -1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 67.33 3ag3 n THR 66 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3ag3 h ILE 67 N -0.08 1.29 -0.16 2.28 1.08 -0.89 -0.93 117.51 120.10 3ag3 h ILE 67 Ca -0.13 -1.33 -0.02 0.00 -0.39 0.00 0.00 64.86 62.99 3ag3 h ILE 67 Cb 1.16 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 3ag3 h ILE 67 CO -0.05 0.44 0.04 -0.07 -0.69 0.00 0.00 178.15 177.82 3ag3 h LEU 68 N 0.56 0.24 -0.86 1.44 4.07 -1.48 -0.44 115.31 118.85 3ag3 h LEU 68 Ca 0.08 -0.23 0.02 0.00 0.08 0.00 0.00 57.88 57.83 3ag3 h LEU 68 Cb 0.75 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 42.38 3ag3 h LEU 68 CO 0.06 0.41 0.56 -0.65 -1.08 0.00 0.00 178.44 177.73 3ag3 h PRO 69 N 0.07 1.08 -0.67 1.13 0.11 -1.75 0.06 132.00 132.02 3ag3 h PRO 69 Ca 0.05 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.15 3ag3 h PRO 69 Cb 0.26 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 31.07 3ag3 h PRO 69 CO 0.00 0.71 0.38 0.00 -0.21 0.00 0.00 178.00 178.88 3ag3 h ALA 70 N 1.34 0.89 -0.59 -0.75 0.00 -0.75 -0.29 119.26 119.11 3ag3 h ALA 70 Ca 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3ag3 h ALA 70 Cb -0.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3ag3 h ALA 70 CO -0.10 0.08 0.33 0.82 0.00 0.00 0.00 179.25 180.38 3ag3 h ILE 71 N 0.71 1.19 -0.80 0.00 2.04 -0.49 -1.58 117.51 118.59 3ag3 h ILE 71 Ca 0.29 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3ag3 h ILE 71 Cb 0.15 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3ag3 h ILE 71 CO -0.16 0.20 0.39 0.40 0.00 0.00 0.00 178.15 178.98 3ag3 h ILE 72 N 0.80 1.25 -0.75 -0.67 2.04 -0.38 -0.76 117.51 119.04 3ag3 h ILE 72 Ca 0.21 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.34 3ag3 h ILE 72 Cb 0.04 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 3ag3 h ILE 72 CO -0.03 0.29 0.25 -0.07 0.00 0.00 0.00 178.15 178.59 3ag3 h LEU 73 N 1.13 1.07 -1.02 1.44 3.38 -0.79 -0.66 115.31 119.86 3ag3 h LEU 73 Ca 0.28 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3ag3 h LEU 73 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3ag3 h LEU 73 CO -0.04 0.98 -0.05 0.40 0.09 0.00 0.00 178.44 179.82 3ag3 h ILE 74 N 1.11 1.23 0.00 1.22 2.04 -0.64 0.18 117.51 122.64 3ag3 h ILE 74 Ca 0.24 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 3ag3 h ILE 74 Cb 0.28 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.36 3ag3 h ILE 74 CO -0.01 0.34 -0.08 -0.07 0.00 0.00 0.00 178.15 178.32 3ag3 h LEU 75 N 0.60 0.00 0.08 1.44 4.07 -0.40 -1.11 115.31 119.99 3ag3 h LEU 75 Ca 0.12 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.96 3ag3 h LEU 75 Cb 0.46 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.21 3ag3 h LEU 75 CO 0.02 0.08 -0.50 0.40 -1.08 0.00 0.00 178.44 177.36 3ag3 h ILE 76 N 0.00 1.61 -0.78 1.22 2.04 -0.55 -3.40 117.51 117.65 3ag3 h ILE 76 Ca -0.00 -2.45 0.04 0.00 1.00 0.00 0.00 64.86 63.45 3ag3 h ILE 76 Cb 0.46 3.26 -0.05 0.00 -0.74 0.00 0.00 36.82 39.75 3ag3 h ILE 76 CO 0.01 0.67 0.51 0.00 0.00 0.00 0.00 178.15 179.34 3ag3 h ALA 77 N 0.04 1.56 0.43 1.87 0.00 -0.39 -2.16 119.26 120.60 3ag3 h ALA 77 Ca -0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ag3 h ALA 77 Cb 1.38 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ag3 h ALA 77 CO 0.08 0.35 -0.20 -0.07 0.00 0.00 0.00 179.25 179.41 3ag3 h LEU 78 N 0.93 -0.49 -1.24 0.00 4.07 -1.42 0.17 115.31 117.33 3ag3 h LEU 78 Ca 0.32 -0.06 -0.07 0.00 0.08 0.00 0.00 57.88 58.14 3ag3 h LEU 78 Cb 0.09 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 3ag3 h LEU 78 CO -0.10 -0.23 -0.35 1.55 -1.08 0.00 0.00 178.44 178.24 3ag3 h PRO 79 N -0.73 0.00 -0.14 1.13 0.13 -1.76 -1.77 132.00 128.84 3ag3 h PRO 79 Ca -0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3ag3 h PRO 79 Cb 0.52 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 3ag3 h PRO 79 CO 0.10 0.35 0.07 1.03 -0.23 0.00 0.00 178.00 179.32 3ag3 h SER 80 N 0.00 0.19 0.96 1.44 0.87 -0.90 -2.24 113.55 113.86 3ag3 h SER 80 Ca -0.00 -0.11 -0.15 0.00 -1.23 0.00 0.00 61.79 60.30 3ag3 h SER 80 Cb 0.70 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 3ag3 h SER 80 CO 0.05 0.24 -0.70 -0.07 -0.53 0.00 0.00 176.83 175.82 3ag3 h LEU 81 N 0.12 0.00 -0.50 2.23 3.38 -0.53 -1.93 115.31 118.08 3ag3 h LEU 81 Ca 0.05 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3ag3 h LEU 81 Cb 0.10 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3ag3 h LEU 81 CO -0.01 0.70 0.17 -0.09 0.09 0.00 0.00 178.44 179.30 3ag3 h ARG 82 N 0.00 0.33 -0.21 1.13 2.43 -1.05 -1.37 114.38 115.65 3ag3 h ARG 82 Ca -0.01 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3ag3 h ARG 82 Cb 1.37 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 3ag3 h ARG 82 CO 0.09 0.22 0.05 0.82 -1.51 0.00 0.00 179.97 179.64 3ag3 h ILE 83 N 0.34 1.21 -0.26 1.20 2.04 -1.23 -1.32 117.51 119.50 3ag3 h ILE 83 Ca 0.24 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.47 3ag3 h ILE 83 Cb 0.26 1.26 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 3ag3 h ILE 83 CO -0.25 0.21 -0.06 0.25 0.00 0.00 0.00 178.15 178.31 3ag3 h LEU 84 N 0.15 -0.23 -0.58 1.44 5.85 -1.02 -1.25 115.31 119.67 3ag3 h LEU 84 Ca 0.07 0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.71 3ag3 h LEU 84 Cb 0.28 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3ag3 h LEU 84 CO 0.00 -0.08 -0.63 1.88 -0.34 0.00 0.00 178.44 179.27 3ag3 h TYR 85 N 0.01 0.38 -0.41 1.25 -1.99 -1.09 -2.82 116.97 112.31 3ag3 h TYR 85 Ca 0.13 -0.15 0.04 0.00 2.00 0.00 0.00 58.73 60.75 3ag3 h TYR 85 Cb 0.19 -0.06 -0.04 0.00 2.00 0.00 0.00 36.73 38.81 3ag3 h TYR 85 CO -0.25 0.84 0.17 1.98 -0.00 0.00 0.00 178.16 180.89 3ag3 h MET 86 N 0.21 0.33 -0.41 4.88 1.85 -0.95 -1.38 114.93 119.46 3ag3 h MET 86 Ca -0.01 -0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.03 3ag3 h MET 86 Cb 1.16 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 33.09 3ag3 h MET 86 CO 0.10 0.22 0.13 0.52 -0.40 0.00 0.00 176.91 177.48 3ag3 h MET 87 N 0.34 0.59 0.00 0.39 2.86 -1.21 -2.70 114.93 115.21 3ag3 h MET 87 Ca 0.18 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3ag3 h MET 87 Cb 0.14 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3ag3 h MET 87 CO -0.17 0.52 0.00 0.22 1.06 0.00 0.00 176.91 178.55 3ag3 h ASP 88 N 0.59 0.00 -4.12 1.22 1.82 -1.02 -3.47 116.42 111.43 3ag3 h ASP 88 Ca 0.14 0.00 -0.50 0.00 -0.39 0.00 0.00 57.03 56.28 3ag3 h ASP 88 Cb 0.18 0.00 0.08 0.00 0.68 0.00 0.00 39.33 40.26 3ag3 h ASP 88 CO -0.01 0.00 0.41 -1.61 -1.61 0.00 0.00 179.24 176.42 3ag3 s GLU 89 N -3.28 3.23 0.18 0.28 2.02 -0.74 -4.88 118.70 115.51 3ag3 s GLU 89 Ca 0.07 1.51 -0.33 0.00 0.02 0.00 0.00 54.97 56.24 3ag3 s GLU 89 Cb 0.09 -2.00 -0.12 0.00 0.10 0.00 0.00 34.13 32.19 3ag3 s GLU 89 CO 0.58 -0.92 1.70 -0.89 0.02 0.00 0.00 175.26 175.74 3ag3 n ILE 90 N -1.62 0.06 -0.03 -1.63 5.41 -1.26 -4.93 119.36 115.34 3ag3 n ILE 90 Ca 0.11 -0.01 -0.02 0.00 1.00 0.00 0.00 62.75 63.83 3ag3 n ILE 90 Cb 0.51 -1.86 -0.07 0.00 -0.71 0.00 0.00 39.64 37.51 3ag3 n ILE 90 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3ag3 n ASN 91 N 4.05 2.78 -3.12 4.38 3.02 -1.26 -5.10 115.26 120.01 3ag3 n ASN 91 Ca 0.17 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.60 3ag3 n ASN 91 Cb 0.33 0.90 0.01 0.00 -0.61 0.00 0.00 39.78 40.42 3ag3 n ASN 91 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ag3 n ASN 92 N -2.21 -6.83 -4.83 6.41 3.02 -1.26 -5.00 115.26 104.57 3ag3 n ASN 92 Ca -0.11 0.51 -0.32 0.00 -0.03 0.00 0.00 54.58 54.63 3ag3 n ASN 92 Cb 0.66 -3.00 0.01 0.00 -0.61 0.00 0.00 39.78 36.84 3ag3 n ASN 92 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ag3 s PRO 93 N -1.75 3.42 -0.00 3.52 0.04 -1.26 -4.83 135.00 134.14 3ag3 s PRO 93 Ca 0.13 1.01 0.21 0.00 0.04 0.00 0.00 61.00 62.40 3ag3 s PRO 93 Cb -0.02 -2.05 -0.19 0.00 0.04 0.00 0.00 34.50 32.28 3ag3 s PRO 93 CO 0.51 -0.72 0.89 0.43 0.04 0.00 0.00 177.00 178.15 3ag3 n SER 94 N -2.30 0.84 -3.75 6.66 7.64 -0.01 -4.97 113.62 117.72 3ag3 n SER 94 Ca 0.07 -0.81 -0.13 0.00 1.01 0.00 0.00 58.87 59.01 3ag3 n SER 94 Cb 0.53 1.06 -0.09 0.00 -1.01 0.00 0.00 64.21 64.70 3ag3 n SER 94 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3ag3 s LEU 95 N -3.21 0.75 -0.08 -3.43 2.96 -1.25 -5.08 118.68 109.33 3ag3 s LEU 95 Ca 0.06 0.36 0.04 0.00 -0.22 0.00 0.00 54.13 54.37 3ag3 s LEU 95 Cb 0.16 1.26 -0.00 0.00 0.50 0.00 0.00 46.19 48.11 3ag3 s LEU 95 CO 0.86 -0.31 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.46 3ag3 s THR 96 N -0.69 1.97 -0.01 3.68 2.01 -1.26 -0.44 115.64 120.90 3ag3 s THR 96 Ca -0.08 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.00 3ag3 s THR 96 Cb -0.04 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 3ag3 s THR 96 CO 0.03 0.54 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.61 3ag3 s VAL 97 N 0.21 1.60 0.00 3.82 1.01 -0.06 -4.42 120.40 122.56 3ag3 s VAL 97 Ca -0.14 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 60.95 3ag3 s VAL 97 Cb -0.16 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3ag3 s VAL 97 CO 0.07 0.42 0.03 -0.54 0.00 0.00 0.00 175.10 175.08 3ag3 s LYS 98 N -0.56 2.87 -0.04 2.72 1.02 -0.13 -1.27 119.74 124.36 3ag3 s LYS 98 Ca 0.08 -0.58 0.05 0.00 0.02 0.00 0.00 55.97 55.54 3ag3 s LYS 98 Cb -0.08 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.49 3ag3 s LYS 98 CO -0.00 0.63 -0.19 -0.08 -0.92 0.00 0.00 175.35 174.78 3ag3 s THR 99 N -1.14 1.59 -0.14 2.17 -1.32 0.31 -0.80 115.64 116.30 3ag3 s THR 99 Ca 0.21 -0.82 -0.00 0.00 -1.21 0.00 0.00 61.69 59.87 3ag3 s THR 99 Cb -0.12 -1.35 -0.01 0.00 -1.51 0.00 0.00 72.50 69.51 3ag3 s THR 99 CO 0.12 0.45 -0.14 -0.04 -2.21 0.00 0.00 174.62 172.81 3ag3 s MET 100 N -0.14 3.32 0.48 7.08 -1.94 -0.45 -1.26 119.30 126.39 3ag3 s MET 100 Ca -0.01 -0.71 -0.17 0.00 -1.71 0.00 0.00 55.69 53.09 3ag3 s MET 100 Cb -0.11 -2.64 -0.09 0.00 2.01 0.00 0.00 34.83 34.01 3ag3 s MET 100 CO 0.02 0.13 0.95 0.20 -0.01 0.00 0.00 175.02 176.31 3ag3 s GLY 101 N 0.56 2.15 0.13 -0.03 0.00 -0.02 -1.30 107.32 108.81 3ag3 s GLY 101 Ca -0.09 0.21 -0.07 0.00 0.00 0.00 0.00 44.72 44.77 3ag3 s GLY 101 CO 0.04 0.48 0.20 0.30 0.00 0.00 0.00 173.10 174.12 3ag3 s HIS 102 N -2.47 0.42 -0.41 1.90 3.76 -0.50 -0.91 115.29 117.08 3ag3 s HIS 102 Ca 0.59 -0.81 -0.26 0.00 -0.15 0.00 0.00 55.06 54.43 3ag3 s HIS 102 Cb -0.10 -0.15 0.02 0.00 1.11 0.00 0.00 32.58 33.46 3ag3 s HIS 102 CO 0.26 -0.62 0.93 -0.65 -0.85 0.00 0.00 174.74 173.81 3ag3 s GLN 103 N -3.95 3.71 -0.37 1.40 -0.21 -1.26 -1.20 119.66 117.78 3ag3 s GLN 103 Ca 0.15 0.41 0.00 0.00 0.02 0.00 0.00 55.36 55.94 3ag3 s GLN 103 Cb 0.05 -3.86 0.12 0.00 1.00 0.00 0.00 33.01 30.32 3ag3 s GLN 103 CO -0.03 -1.08 0.18 -1.58 -2.12 0.00 0.00 175.29 170.66 3ag3 s TRP 104 N 3.63 1.57 -0.02 0.91 0.51 -1.26 -5.13 118.94 119.15 3ag3 s TRP 104 Ca 0.38 -1.98 -0.30 0.00 -2.12 0.00 0.00 56.10 52.08 3ag3 s TRP 104 Cb -0.11 -1.60 0.12 0.00 -0.81 0.00 0.00 33.47 31.07 3ag3 s TRP 104 CO 0.22 -0.83 1.23 1.52 -0.51 0.00 0.00 176.95 178.59 3ag3 s TYR 105 N 0.98 -0.07 0.12 -1.98 1.13 -0.34 -4.67 117.35 112.53 3ag3 s TYR 105 Ca 0.15 -0.05 0.08 0.00 -1.41 0.00 0.00 57.07 55.84 3ag3 s TYR 105 Cb -0.22 0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 41.16 3ag3 s TYR 105 CO -0.09 -0.34 -0.11 -1.58 -2.51 0.00 0.00 175.55 170.92 3ag3 s TRP 106 N -2.55 2.68 0.26 -3.49 0.52 -0.90 -1.41 118.94 114.06 3ag3 s TRP 106 Ca 0.13 -0.19 0.11 0.00 0.02 0.00 0.00 56.10 56.17 3ag3 s TRP 106 Cb 0.03 -1.38 -0.05 0.00 -1.15 0.00 0.00 33.47 30.92 3ag3 s TRP 106 CO -0.03 0.44 -0.13 -1.54 0.02 0.00 0.00 176.95 175.71 3ag3 s SER 107 N -2.35 3.96 0.03 2.95 1.04 -0.42 0.46 113.70 119.36 3ag3 s SER 107 Ca 0.22 -0.85 0.04 0.00 0.48 0.00 0.00 55.95 55.84 3ag3 s SER 107 Cb -0.10 -0.52 -0.02 0.00 0.10 0.00 0.00 66.02 65.48 3ag3 s SER 107 CO 0.13 0.04 -0.11 -0.31 0.98 0.00 0.00 173.24 173.97 3ag3 s TYR 108 N -2.30 1.00 -0.06 5.02 2.02 0.19 -1.34 117.35 121.88 3ag3 s TYR 108 Ca 0.29 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.66 3ag3 s TYR 108 Cb -0.06 -0.60 0.02 0.00 -0.40 0.00 0.00 41.96 40.92 3ag3 s TYR 108 CO 0.16 0.00 -0.06 -1.21 -1.57 0.00 0.00 175.55 172.88 3ag3 s GLU 109 N -1.03 1.06 -0.41 -0.62 2.02 0.02 -1.72 118.70 118.03 3ag3 s GLU 109 Ca -0.00 -0.15 0.02 0.00 0.02 0.00 0.00 54.97 54.86 3ag3 s GLU 109 Cb -0.07 -1.08 0.12 0.00 0.10 0.00 0.00 34.13 33.19 3ag3 s GLU 109 CO 0.01 -0.13 0.17 0.71 0.02 0.00 0.00 175.26 176.04 3ag3 s TYR 110 N 1.18 2.58 -0.24 1.61 2.02 0.34 -0.95 117.35 123.89 3ag3 s TYR 110 Ca -0.06 -2.57 0.11 0.00 -0.37 0.00 0.00 57.07 54.18 3ag3 s TYR 110 Cb -0.14 -2.29 0.45 0.00 -0.40 0.00 0.00 41.96 39.58 3ag3 s TYR 110 CO -0.01 -0.83 1.19 0.25 -1.57 0.00 0.00 175.55 174.58 3ag3 n THR 111 N 3.90 2.14 0.17 -0.71 -2.24 -1.26 -2.85 114.28 113.42 3ag3 n THR 111 Ca 0.04 -3.52 0.01 0.00 -2.27 0.00 0.00 64.05 58.31 3ag3 n THR 111 Cb 0.37 -0.45 0.29 0.00 -2.10 0.00 0.00 70.33 68.45 3ag3 n THR 111 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ag3 h ASP 112 N 1.68 0.00 0.00 3.42 3.32 -1.93 -3.42 116.42 119.49 3ag3 h ASP 112 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3ag3 h ASP 112 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3ag3 h ASP 112 CO 0.37 0.46 -0.18 -1.22 -1.72 0.00 0.00 179.24 176.95 3ag3 n TYR 113 N -3.95 -0.88 -4.31 4.55 4.01 -1.26 -5.12 117.16 110.20 3ag3 n TYR 113 Ca -0.02 0.16 -0.27 0.00 -0.16 0.00 0.00 57.90 57.61 3ag3 n TYR 113 Cb 0.49 0.31 -0.07 0.00 -0.31 0.00 0.00 39.34 39.76 3ag3 n TYR 113 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ag3 s GLU 114 N -2.00 2.18 -0.96 -0.72 0.41 -1.26 -5.04 118.70 111.30 3ag3 s GLU 114 Ca 0.00 -2.05 -0.16 0.00 -0.41 0.00 0.00 54.97 52.35 3ag3 s GLU 114 Cb 0.00 -1.84 0.17 0.00 -1.78 0.00 0.00 34.13 30.68 3ag3 s GLU 114 CO 0.00 -0.25 1.08 -0.51 -0.49 0.00 0.00 175.26 175.09 3ag3 s ASP 115 N -3.93 6.80 -0.17 -0.19 -0.00 -1.26 -4.23 116.67 113.68 3ag3 s ASP 115 Ca 0.31 -2.50 -0.05 0.00 -0.00 0.00 0.00 52.55 50.30 3ag3 s ASP 115 Cb 0.03 -2.33 -0.03 0.00 -0.00 0.00 0.00 42.92 40.59 3ag3 s ASP 115 CO 0.17 -0.82 0.01 -0.22 -0.00 0.00 0.00 175.17 174.31 3ag3 s LEU 116 N 1.51 3.49 -0.03 1.23 2.96 -1.13 -4.92 118.68 121.78 3ag3 s LEU 116 Ca 0.30 -0.05 -0.22 0.00 -0.22 0.00 0.00 54.13 53.95 3ag3 s LEU 116 Cb -0.06 -1.87 0.04 0.00 0.50 0.00 0.00 46.19 44.81 3ag3 s LEU 116 CO -0.08 0.16 0.47 -0.94 -1.32 0.00 0.00 176.35 174.64 3ag3 s SER 117 N 0.43 -0.39 0.27 3.68 1.04 -1.26 -0.50 113.70 116.97 3ag3 s SER 117 Ca -0.01 0.36 -0.18 0.00 0.48 0.00 0.00 55.95 56.60 3ag3 s SER 117 Cb -0.13 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.41 3ag3 s SER 117 CO 0.02 -0.52 0.64 0.72 0.98 0.00 0.00 173.24 175.08 3ag3 s PHE 118 N -1.27 0.01 0.17 5.02 -0.12 -0.70 -4.98 117.98 116.12 3ag3 s PHE 118 Ca -0.12 -0.45 0.04 0.00 -0.05 0.00 0.00 56.93 56.35 3ag3 s PHE 118 Cb -0.03 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 3ag3 s PHE 118 CO 0.07 -1.18 0.21 -0.51 -0.05 0.00 0.00 175.22 173.77 3ag3 s ASP 119 N -2.96 5.89 -0.11 1.98 1.01 -1.26 -0.63 116.67 120.59 3ag3 s ASP 119 Ca 0.15 -0.01 -0.03 0.00 0.71 0.00 0.00 52.55 53.37 3ag3 s ASP 119 Cb -0.04 -1.65 0.04 0.00 1.01 0.00 0.00 42.92 42.28 3ag3 s ASP 119 CO 0.08 0.04 0.06 -0.55 0.21 0.00 0.00 175.17 175.01 3ag3 s SER 120 N -3.29 1.85 0.14 0.27 0.15 0.17 -4.58 113.70 108.42 3ag3 s SER 120 Ca 0.33 -0.30 0.10 0.00 0.70 0.00 0.00 55.95 56.78 3ag3 s SER 120 Cb -0.10 -0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 3ag3 s SER 120 CO 0.26 -0.28 -0.21 -0.31 1.20 0.00 0.00 173.24 173.90 3ag3 s TYR 121 N 2.09 2.43 0.38 3.44 2.02 -1.26 -2.11 117.35 124.33 3ag3 s TYR 121 Ca 0.03 -0.31 -0.27 0.00 -0.37 0.00 0.00 57.07 56.15 3ag3 s TYR 121 Cb -0.14 -1.27 -0.11 0.00 -0.40 0.00 0.00 41.96 40.04 3ag3 s TYR 121 CO -0.06 0.40 1.33 -0.12 -1.57 0.00 0.00 175.55 175.54 3ag3 n MET 122 N 0.66 2.19 -2.46 -0.62 0.00 -1.26 -1.39 117.12 114.24 3ag3 n MET 122 Ca -0.15 0.77 -0.43 0.00 -0.00 0.00 0.00 57.70 57.89 3ag3 n MET 122 Cb 0.54 -2.43 -0.02 0.00 0.00 0.00 0.00 33.22 31.30 3ag3 n MET 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3ag3 s ILE 123 N -1.14 4.33 0.59 1.12 -1.09 -0.38 -4.81 121.20 119.83 3ag3 s ILE 123 Ca 0.57 1.62 -0.20 0.00 -2.23 0.00 0.00 60.65 60.41 3ag3 s ILE 123 Cb -0.52 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.28 3ag3 s ILE 123 CO 0.61 -0.13 1.29 -2.84 -1.23 0.00 0.00 174.94 172.65 3ag3 s PRO 124 N 3.30 2.89 0.33 2.79 0.02 -1.26 -4.65 135.00 138.41 3ag3 s PRO 124 Ca 0.53 2.06 0.04 0.00 0.02 0.00 0.00 61.00 63.65 3ag3 s PRO 124 Cb -0.21 -2.02 0.65 0.00 0.02 0.00 0.00 34.50 32.94 3ag3 s PRO 124 CO 0.14 -1.34 1.92 1.15 -0.33 0.00 0.00 177.00 178.55 3ag3 h THR 125 N 0.97 1.01 0.00 0.99 2.02 -1.99 0.10 112.91 116.02 3ag3 h THR 125 Ca -0.51 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.37 3ag3 h THR 125 Cb 1.31 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3ag3 h THR 125 CO 0.55 0.16 0.00 -1.54 0.37 0.00 0.00 175.52 175.06 3ag3 n SER 126 N -4.50 0.00 -0.58 4.18 3.41 -1.26 -2.66 113.62 112.21 3ag3 n SER 126 Ca 0.13 0.37 0.07 0.00 -0.26 0.00 0.00 58.87 59.18 3ag3 n SER 126 Cb 0.25 -0.45 0.07 0.00 -0.26 0.00 0.00 64.21 63.83 3ag3 n SER 126 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ag3 n GLU 127 N -1.45 1.13 -1.77 4.33 1.02 0.33 -5.02 120.64 119.20 3ag3 n GLU 127 Ca 0.06 -1.42 -0.41 0.00 -0.02 0.00 0.00 57.16 55.37 3ag3 n GLU 127 Cb 0.21 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 3ag3 n GLU 127 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ag3 n LEU 128 N 0.77 4.80 -4.87 -4.62 4.77 -1.03 -4.92 117.00 111.90 3ag3 n LEU 128 Ca 0.09 1.22 -0.31 0.00 -0.03 0.00 0.00 56.01 56.98 3ag3 n LEU 128 Cb 0.36 -1.62 -0.03 0.00 -2.33 0.00 0.00 43.42 39.79 3ag3 n LEU 128 CO 0.09 0.12 0.47 -0.54 -1.33 0.00 0.00 177.39 176.20 3ag3 s LYS 129 N -2.14 3.82 0.18 3.23 1.02 -1.26 -4.93 119.74 119.67 3ag3 s LYS 129 Ca 0.54 0.55 -0.33 0.00 0.02 0.00 0.00 55.97 56.75 3ag3 s LYS 129 Cb -0.47 -2.36 -0.15 0.00 -0.52 0.00 0.00 37.83 34.33 3ag3 s LYS 129 CO 0.63 -0.05 1.37 -2.30 -0.92 0.00 0.00 175.35 174.09 3ag3 n PRO 130 N -1.24 1.71 -0.10 -1.68 -0.02 -1.26 -0.84 135.00 131.57 3ag3 n PRO 130 Ca 0.03 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3ag3 n PRO 130 Cb 0.54 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3ag3 n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ag3 n GLY 131 N 2.44 1.64 3.89 -1.23 0.00 -1.26 -5.04 105.19 105.63 3ag3 n GLY 131 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3ag3 n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ag3 s GLU 132 N -0.40 2.89 -0.19 1.61 2.02 -0.02 -5.02 118.70 119.59 3ag3 s GLU 132 Ca 0.00 0.32 -0.09 0.00 0.02 0.00 0.00 54.97 55.22 3ag3 s GLU 132 Cb 0.00 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 3ag3 s GLU 132 CO 0.00 -0.92 0.09 -0.51 0.02 0.00 0.00 175.26 173.94 3ag3 s LEU 133 N -5.24 3.98 0.23 1.80 1.43 -1.26 -4.92 118.68 114.70 3ag3 s LEU 133 Ca 0.57 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 53.51 3ag3 s LEU 133 Cb -0.11 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 44.00 3ag3 s LEU 133 CO 0.50 0.17 1.32 -0.60 0.23 0.00 0.00 176.35 177.97 3ag3 s ARG 134 N 0.40 4.37 0.00 1.70 3.52 -1.26 -2.14 118.95 125.54 3ag3 s ARG 134 Ca 0.05 2.11 0.00 0.00 -0.13 0.00 0.00 55.73 57.77 3ag3 s ARG 134 Cb -0.12 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 3ag3 s ARG 134 CO -0.01 -0.25 0.00 1.28 -0.81 0.00 0.00 175.30 175.52 3ag3 n LEU 135 N 2.21 0.65 -0.00 -0.88 4.77 -1.26 -4.78 117.00 117.71 3ag3 n LEU 135 Ca 0.05 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3ag3 n LEU 135 Cb 0.42 -1.24 -0.00 0.00 -2.33 0.00 0.00 43.42 40.27 3ag3 n LEU 135 CO 0.58 -0.43 -0.51 0.18 -1.33 0.00 0.00 177.39 175.89 3ag3 n LEU 136 N 0.00 1.25 -4.79 2.23 4.77 -0.91 -4.55 117.00 115.00 3ag3 n LEU 136 Ca 0.00 -0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 3ag3 n LEU 136 Cb 0.10 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3ag3 n LEU 136 CO 0.00 0.21 0.73 -1.61 -1.33 0.00 0.00 177.39 175.40 3ag3 s GLU 137 N -2.00 3.44 0.32 3.23 0.41 -1.06 -4.66 118.70 118.37 3ag3 s GLU 137 Ca -0.00 1.37 0.08 0.00 -0.41 0.00 0.00 54.97 56.01 3ag3 s GLU 137 Cb 0.00 -2.04 -0.06 0.00 -1.78 0.00 0.00 34.13 30.25 3ag3 s GLU 137 CO 0.01 -0.73 -0.09 0.14 -0.49 0.00 0.00 175.26 174.10 3ag3 s VAL 138 N -2.12 2.02 0.10 2.63 -7.23 -1.26 -1.25 120.40 113.28 3ag3 s VAL 138 Ca 0.67 -2.18 -0.16 0.00 -1.81 0.00 0.00 61.98 58.50 3ag3 s VAL 138 Cb -0.18 -2.55 -0.07 0.00 0.56 0.00 0.00 36.38 34.13 3ag3 s VAL 138 CO 0.29 -0.25 1.46 -2.24 -0.31 0.00 0.00 175.10 174.05 3ag3 h ASP 139 N 2.14 0.68 -3.73 4.85 -0.00 -1.54 -3.43 116.42 115.39 3ag3 h ASP 139 Ca -0.41 -0.42 -0.65 0.00 -0.00 0.00 0.00 57.03 55.55 3ag3 h ASP 139 Cb 1.24 -0.19 -0.39 0.00 -0.00 0.00 0.00 39.33 40.00 3ag3 h ASP 139 CO 0.69 0.95 -0.76 0.20 -0.00 0.00 0.00 179.24 180.31 3ag3 s ASN 140 N -6.37 4.47 0.79 4.15 0.01 -1.26 -5.05 114.94 111.67 3ag3 s ASN 140 Ca -0.13 -1.68 -0.12 0.00 -0.71 0.00 0.00 52.86 50.22 3ag3 s ASN 140 Cb 0.09 -1.49 0.06 0.00 0.41 0.00 0.00 41.25 40.32 3ag3 s ASN 140 CO 0.81 -0.28 1.14 -0.13 -1.51 0.00 0.00 177.10 177.12 3ag3 s ARG 141 N 1.09 2.17 -0.72 -0.60 0.52 -1.26 -4.70 118.95 115.46 3ag3 s ARG 141 Ca 0.00 0.29 -0.18 0.00 -0.52 0.00 0.00 55.73 55.33 3ag3 s ARG 141 Cb -0.19 -1.96 0.14 0.00 0.52 0.00 0.00 34.95 33.46 3ag3 s ARG 141 CO -0.07 -1.49 0.80 0.08 0.02 0.00 0.00 175.30 174.64 3ag3 s VAL 142 N -3.44 4.99 0.13 3.52 1.01 0.43 -4.91 120.40 122.12 3ag3 s VAL 142 Ca 0.61 -1.47 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 3ag3 s VAL 142 Cb -0.12 -4.55 -0.07 0.00 0.00 0.00 0.00 36.38 31.64 3ag3 s VAL 142 CO 0.51 -1.18 0.72 -0.69 0.00 0.00 0.00 175.10 174.45 3ag3 s VAL 143 N 2.09 4.51 -0.00 2.92 1.01 -1.26 -1.09 120.40 128.57 3ag3 s VAL 143 Ca 0.17 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.59 3ag3 s VAL 143 Cb -0.17 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.16 3ag3 s VAL 143 CO -0.01 0.52 0.26 -0.76 0.00 0.00 0.00 175.10 175.11 3ag3 s LEU 144 N -1.02 1.06 0.10 3.92 1.43 -0.23 -4.93 118.68 119.01 3ag3 s LEU 144 Ca 0.34 -0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 53.11 3ag3 s LEU 144 Cb -0.22 1.11 -0.06 0.00 0.03 0.00 0.00 46.19 47.06 3ag3 s LEU 144 CO 0.24 -0.45 0.99 -2.16 0.23 0.00 0.00 176.35 175.20 3ag3 s PRO 145 N -1.50 4.66 0.80 1.29 0.04 -1.26 -1.81 135.00 137.22 3ag3 s PRO 145 Ca -0.13 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.29 3ag3 s PRO 145 Cb -0.05 -3.37 0.07 0.00 0.04 0.00 0.00 34.50 31.18 3ag3 s PRO 145 CO 0.03 0.15 1.09 0.00 0.04 0.00 0.00 177.00 178.31 3ag3 s MET 146 N 0.12 2.05 -1.34 4.56 0.23 0.84 -3.99 119.30 121.78 3ag3 s MET 146 Ca 0.48 0.72 -0.06 0.00 -1.03 0.00 0.00 55.69 55.80 3ag3 s MET 146 Cb -0.24 -1.91 0.04 0.00 -1.53 0.00 0.00 34.83 31.19 3ag3 s MET 146 CO 0.30 -1.66 0.43 0.39 -2.03 0.00 0.00 175.02 172.45 3ag3 n GLU 147 N -3.47 -3.59 -3.88 3.16 1.02 0.32 -4.76 120.64 109.44 3ag3 n GLU 147 Ca 0.07 0.64 -0.12 0.00 -0.02 0.00 0.00 57.16 57.73 3ag3 n GLU 147 Cb 0.56 -5.37 -0.13 0.00 -0.02 0.00 0.00 31.44 26.47 3ag3 n GLU 147 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3ag3 s MET 148 N -5.73 0.07 -0.17 3.49 -1.94 -1.26 -5.01 119.30 108.75 3ag3 s MET 148 Ca 0.29 -0.07 -0.29 0.00 -1.71 0.00 0.00 55.69 53.91 3ag3 s MET 148 Cb -0.15 0.03 -0.00 0.00 2.01 0.00 0.00 34.83 36.72 3ag3 s MET 148 CO 0.36 -0.01 1.10 0.99 -0.01 0.00 0.00 175.02 177.45 3ag3 s THR 149 N -0.22 4.56 -0.01 2.05 2.01 -1.26 -4.39 115.64 118.38 3ag3 s THR 149 Ca -0.02 1.87 0.06 0.00 0.31 0.00 0.00 61.69 63.91 3ag3 s THR 149 Cb -0.02 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 3ag3 s THR 149 CO -0.00 -0.12 -0.20 -0.63 -0.69 0.00 0.00 174.62 172.98 3ag3 s ILE 150 N 2.95 2.59 -0.25 1.82 1.01 -0.22 -0.83 121.20 128.27 3ag3 s ILE 150 Ca 0.49 -1.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.00 3ag3 s ILE 150 Cb -0.18 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 3ag3 s ILE 150 CO 0.12 0.51 0.27 -0.60 0.00 0.00 0.00 174.94 175.24 3ag3 s ARG 151 N -0.89 4.04 -0.15 2.79 3.52 0.41 -1.11 118.95 127.56 3ag3 s ARG 151 Ca 0.12 -0.11 -0.07 0.00 -0.13 0.00 0.00 55.73 55.53 3ag3 s ARG 151 Cb -0.10 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 3ag3 s ARG 151 CO 0.01 -0.11 0.11 -1.64 -0.81 0.00 0.00 175.30 172.86 3ag3 s MET 152 N 1.56 3.72 -0.06 5.12 -1.94 -0.16 -0.88 119.30 126.66 3ag3 s MET 152 Ca 0.11 -0.23 0.03 0.00 -1.71 0.00 0.00 55.69 53.90 3ag3 s MET 152 Cb -0.15 -3.22 -0.02 0.00 2.01 0.00 0.00 34.83 33.44 3ag3 s MET 152 CO 0.08 0.53 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.97 3ag3 s LEU 153 N -0.33 2.72 -0.06 -0.03 1.43 -0.40 -0.94 118.68 121.07 3ag3 s LEU 153 Ca 0.10 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 3ag3 s LEU 153 Cb -0.12 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.55 3ag3 s LEU 153 CO 0.01 0.31 -0.12 -0.69 0.23 0.00 0.00 176.35 176.09 3ag3 s VAL 154 N -0.53 1.14 0.00 -1.59 1.01 0.10 -0.53 120.40 119.99 3ag3 s VAL 154 Ca 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3ag3 s VAL 154 Cb -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.23 3ag3 s VAL 154 CO 0.01 0.35 0.00 -0.24 0.00 0.00 0.00 175.10 175.23 3ag3 n SER 155 N 3.74 0.00 -3.84 3.32 2.88 -0.39 -1.08 113.62 118.25 3ag3 n SER 155 Ca -0.22 -0.61 -0.11 0.00 -1.33 0.00 0.00 58.87 56.59 3ag3 n SER 155 Cb 0.52 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 3ag3 n SER 155 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3ag3 s SER 156 N -0.08 -0.01 0.00 -3.46 0.15 -1.25 -0.84 113.70 108.22 3ag3 s SER 156 Ca 0.00 -0.20 0.21 0.00 0.70 0.00 0.00 55.95 56.66 3ag3 s SER 156 Cb 0.00 0.25 0.47 0.00 -1.71 0.00 0.00 66.02 65.02 3ag3 s SER 156 CO 0.00 -0.44 1.40 -0.62 1.20 0.00 0.00 173.24 174.78 3ag3 n GLU 157 N 1.19 2.53 0.00 5.44 1.02 -0.09 -4.03 120.64 126.70 3ag3 n GLU 157 Ca -0.21 -2.33 0.00 0.00 -0.02 0.00 0.00 57.16 54.59 3ag3 n GLU 157 Cb 0.57 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 3ag3 n GLU 157 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ag3 n ASP 158 N 1.39 0.00 -2.75 1.62 5.68 -1.26 -5.04 116.55 116.19 3ag3 n ASP 158 Ca 0.19 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.42 3ag3 n ASP 158 Cb 0.57 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.58 3ag3 n ASP 158 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3ag3 n VAL 159 N 0.00 0.00 -2.43 2.12 0.24 -1.26 -4.62 118.33 112.38 3ag3 n VAL 159 Ca 0.00 -0.48 -0.36 0.00 -2.04 0.00 0.00 64.34 61.47 3ag3 n VAL 159 Cb 0.00 -1.11 -0.02 0.00 -1.47 0.00 0.00 33.84 31.24 3ag3 n VAL 159 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ag3 s LEU 160 N 0.00 3.98 0.00 1.34 1.43 -1.26 -4.59 118.68 119.58 3ag3 s LEU 160 Ca 0.18 2.11 0.03 0.00 -1.03 0.00 0.00 54.13 55.41 3ag3 s LEU 160 Cb -0.01 -4.34 -0.01 0.00 0.03 0.00 0.00 46.19 41.85 3ag3 s LEU 160 CO 0.12 -0.78 0.10 1.41 0.23 0.00 0.00 176.35 177.43 3ag3 n HIS 161 N -0.56 -0.19 -3.72 0.29 8.25 -0.03 -4.38 115.22 114.88 3ag3 n HIS 161 Ca 0.08 -1.24 -0.12 0.00 -0.26 0.00 0.00 57.72 56.17 3ag3 n HIS 161 Cb 0.50 0.08 -0.11 0.00 1.12 0.00 0.00 29.99 31.58 3ag3 n HIS 161 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3ag3 s SER 162 N -2.09 -0.45 -0.32 0.41 0.15 -1.26 -0.01 113.70 110.12 3ag3 s SER 162 Ca 0.15 0.82 -0.11 0.00 0.70 0.00 0.00 55.95 57.51 3ag3 s SER 162 Cb 0.01 0.77 -0.01 0.00 -1.71 0.00 0.00 66.02 65.08 3ag3 s SER 162 CO 0.10 -0.16 0.19 0.86 1.20 0.00 0.00 173.24 175.43 3ag3 s TRP 163 N 0.77 3.20 -0.01 3.44 -0.00 -0.07 -1.40 118.94 124.86 3ag3 s TRP 163 Ca -0.05 -0.45 0.04 0.00 -0.00 0.00 0.00 56.10 55.64 3ag3 s TRP 163 Cb -0.06 -2.40 -0.01 0.00 -0.00 0.00 0.00 33.47 31.00 3ag3 s TRP 163 CO -0.06 -0.43 -0.13 0.00 -0.00 0.00 0.00 176.95 176.34 3ag3 s ALA 164 N 1.65 1.10 -0.33 5.86 0.00 -1.26 -1.00 121.76 127.78 3ag3 s ALA 164 Ca 0.05 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 3ag3 s ALA 164 Cb -0.17 -0.28 0.12 0.00 0.00 0.00 0.00 23.12 22.78 3ag3 s ALA 164 CO 0.08 0.27 0.16 0.08 0.00 0.00 0.00 175.76 176.35 3ag3 s VAL 165 N -0.30 0.25 0.37 0.00 1.01 -0.39 -3.33 120.40 118.01 3ag3 s VAL 165 Ca 0.05 -1.34 0.08 0.00 0.00 0.00 0.00 61.98 60.77 3ag3 s VAL 165 Cb -0.05 -1.20 0.31 0.00 0.00 0.00 0.00 36.38 35.43 3ag3 s VAL 165 CO -0.00 -0.83 1.93 -0.65 0.00 0.00 0.00 175.10 175.55 3ag3 h PRO 166 N 7.72 0.68 0.00 2.72 0.11 -1.75 -1.38 132.00 140.10 3ag3 h PRO 166 Ca -0.08 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 3ag3 h PRO 166 Cb 0.99 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 3ag3 h PRO 166 CO 0.38 0.45 -0.14 0.66 -0.21 0.00 0.00 178.00 179.14 3ag3 h SER 167 N 0.70 0.00 -0.03 -2.05 4.64 -1.86 -1.15 113.55 113.80 3ag3 h SER 167 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3ag3 h SER 167 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3ag3 h SER 167 CO -0.13 0.14 -0.01 0.18 -0.87 0.00 0.00 176.83 176.14 3ag3 n LEU 168 N -3.39 2.96 -0.50 5.97 4.77 -0.57 -1.26 117.00 124.97 3ag3 n LEU 168 Ca -0.01 -1.00 -0.04 0.00 -0.03 0.00 0.00 56.01 54.93 3ag3 n LEU 168 Cb 0.32 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3ag3 n LEU 168 CO 0.30 0.50 -0.05 0.61 -1.33 0.00 0.00 177.39 177.41 3ag3 n GLY 169 N 1.33 0.19 3.45 -0.72 0.00 -0.43 -4.59 105.19 104.42 3ag3 n GLY 169 Ca 0.14 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 3ag3 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag3 s LEU 170 N -1.26 2.86 -0.26 0.99 1.43 -0.90 -5.00 118.68 116.53 3ag3 s LEU 170 Ca 0.00 -0.22 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 3ag3 s LEU 170 Cb -0.00 -1.63 0.11 0.00 0.03 0.00 0.00 46.19 44.71 3ag3 s LEU 170 CO 0.00 0.25 0.56 -0.75 0.23 0.00 0.00 176.35 176.64 3ag3 s LYS 171 N -0.16 0.48 -0.05 1.70 2.20 -1.26 -1.26 119.74 121.40 3ag3 s LYS 171 Ca 0.00 1.28 -0.01 0.00 -0.36 0.00 0.00 55.97 56.88 3ag3 s LYS 171 Cb -0.13 0.64 0.03 0.00 -1.51 0.00 0.00 37.83 36.86 3ag3 s LYS 171 CO 0.03 -0.22 0.02 0.99 -0.36 0.00 0.00 175.35 175.82 3ag3 s THR 172 N 2.74 0.12 0.59 3.43 2.01 -0.17 -4.96 115.64 119.41 3ag3 s THR 172 Ca -0.04 0.23 -0.19 0.00 0.31 0.00 0.00 61.69 62.00 3ag3 s THR 172 Cb -0.12 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 3ag3 s THR 172 CO -0.17 0.19 1.21 -1.81 -0.69 0.00 0.00 174.62 173.35 3ag3 s ASP 173 N 1.76 5.20 -0.31 3.53 1.11 -1.26 -0.89 116.67 125.81 3ag3 s ASP 173 Ca 0.01 2.38 -0.02 0.00 0.18 0.00 0.00 52.55 55.09 3ag3 s ASP 173 Cb -0.13 -2.60 0.05 0.00 1.07 0.00 0.00 42.92 41.32 3ag3 s ASP 173 CO -0.03 -1.59 0.03 0.00 1.18 0.00 0.00 175.17 174.76 3ag3 s ALA 174 N -1.60 2.87 -0.10 5.23 0.00 0.98 -4.76 121.76 124.38 3ag3 s ALA 174 Ca 0.77 -1.82 0.02 0.00 0.00 0.00 0.00 51.96 50.94 3ag3 s ALA 174 Cb -0.30 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 20.82 3ag3 s ALA 174 CO 0.33 -1.32 -0.16 0.42 0.00 0.00 0.00 175.76 175.03 3ag3 s ILE 175 N 1.26 1.51 0.31 0.00 1.01 -1.26 -0.85 121.20 123.18 3ag3 s ILE 175 Ca -0.04 -0.66 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 3ag3 s ILE 175 Cb -0.20 -1.37 -0.10 0.00 0.01 0.00 0.00 42.46 40.80 3ag3 s ILE 175 CO -0.01 0.44 1.30 -2.16 0.00 0.00 0.00 174.94 174.51 3ag3 s PRO 176 N 0.86 4.38 0.00 2.79 0.04 -1.26 -2.25 135.00 139.57 3ag3 s PRO 176 Ca -0.09 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.11 3ag3 s PRO 176 Cb -0.15 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.29 3ag3 s PRO 176 CO 0.00 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.28 3ag3 n GLY 177 N 1.11 0.89 3.15 0.56 0.00 -1.26 -4.94 105.19 104.69 3ag3 n GLY 177 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 3ag3 n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ag3 s ARG 178 N -0.36 0.84 -0.41 1.61 3.52 -0.95 -5.12 118.95 118.08 3ag3 s ARG 178 Ca 0.00 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 54.79 3ag3 s ARG 178 Cb 0.00 -0.83 0.11 0.00 -1.56 0.00 0.00 34.95 32.67 3ag3 s ARG 178 CO 0.00 0.19 0.14 -1.17 -0.81 0.00 0.00 175.30 173.66 3ag3 s LEU 179 N -1.45 4.11 0.11 -0.88 2.96 -1.26 -4.49 118.68 117.78 3ag3 s LEU 179 Ca -0.01 -2.43 -0.15 0.00 -0.22 0.00 0.00 54.13 51.32 3ag3 s LEU 179 Cb -0.09 -1.48 -0.07 0.00 0.50 0.00 0.00 46.19 45.05 3ag3 s LEU 179 CO 0.02 -0.32 0.54 0.20 -1.32 0.00 0.00 176.35 175.46 3ag3 s ASN 180 N 0.54 6.88 -0.05 3.68 0.01 -0.24 -4.82 114.94 120.94 3ag3 s ASN 180 Ca 0.14 1.11 0.02 0.00 -0.71 0.00 0.00 52.86 53.42 3ag3 s ASN 180 Cb -0.22 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 3ag3 s ASN 180 CO -0.06 0.17 -0.10 -1.58 -1.51 0.00 0.00 177.10 174.01 3ag3 s GLN 181 N -1.67 2.60 0.10 -0.60 0.74 -1.26 0.02 119.66 119.58 3ag3 s GLN 181 Ca 0.34 -0.65 -0.06 0.00 0.05 0.00 0.00 55.36 55.05 3ag3 s GLN 181 Cb -0.16 -2.48 -0.02 0.00 1.10 0.00 0.00 33.01 31.45 3ag3 s GLN 181 CO 0.19 0.64 0.14 -0.08 -0.55 0.00 0.00 175.29 175.62 3ag3 s THR 182 N -0.81 0.14 0.18 -0.34 -1.32 -0.12 -5.01 115.64 108.37 3ag3 s THR 182 Ca 0.13 -1.44 0.09 0.00 -1.21 0.00 0.00 61.69 59.25 3ag3 s THR 182 Cb -0.11 -1.55 -0.04 0.00 -1.51 0.00 0.00 72.50 69.29 3ag3 s THR 182 CO 0.02 -0.65 -0.08 0.42 -2.21 0.00 0.00 174.62 172.12 3ag3 s THR 183 N -3.91 3.25 0.01 5.08 -4.23 -1.26 -0.98 115.64 113.59 3ag3 s THR 183 Ca 0.10 -1.65 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 3ag3 s THR 183 Cb 0.06 -2.62 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 3ag3 s THR 183 CO -0.07 -0.13 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.63 3ag3 s LEU 184 N -2.89 2.08 -0.19 4.79 0.20 -0.27 -4.94 118.68 117.46 3ag3 s LEU 184 Ca 0.25 -0.19 -0.06 0.00 0.69 0.00 0.00 54.13 54.82 3ag3 s LEU 184 Cb -0.09 -0.07 0.09 0.00 -0.43 0.00 0.00 46.19 45.69 3ag3 s LEU 184 CO 0.16 -0.07 0.39 -0.32 -0.29 0.00 0.00 176.35 176.23 3ag3 s MET 185 N -0.50 0.29 -0.18 1.98 1.75 -1.26 -1.05 119.30 120.34 3ag3 s MET 185 Ca -0.04 0.98 -0.09 0.00 -1.25 0.00 0.00 55.69 55.30 3ag3 s MET 185 Cb -0.04 0.27 -0.05 0.00 2.84 0.00 0.00 34.83 37.85 3ag3 s MET 185 CO -0.00 -0.26 0.13 0.45 -0.65 0.00 0.00 175.02 174.69 3ag3 s SER 186 N 2.58 6.23 0.16 1.11 0.15 -1.26 -4.30 113.70 118.38 3ag3 s SER 186 Ca -0.01 0.29 0.24 0.00 0.70 0.00 0.00 55.95 57.18 3ag3 s SER 186 Cb -0.12 -2.07 0.91 0.00 -1.71 0.00 0.00 66.02 63.03 3ag3 s SER 186 CO -0.12 0.25 1.74 -1.20 1.20 0.00 0.00 173.24 175.10 3ag3 n SER 187 N 3.06 0.53 -3.98 5.45 7.64 0.16 -0.52 113.62 125.96 3ag3 n SER 187 Ca -0.17 0.58 -0.09 0.00 1.01 0.00 0.00 58.87 60.20 3ag3 n SER 187 Cb 0.53 -0.71 -0.10 0.00 -1.01 0.00 0.00 64.21 62.91 3ag3 n SER 187 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3ag3 s ARG 188 N -3.14 0.45 0.90 1.43 0.52 -1.26 -4.78 118.95 113.06 3ag3 s ARG 188 Ca 0.09 -0.75 -0.12 0.00 -0.52 0.00 0.00 55.73 54.43 3ag3 s ARG 188 Cb 0.12 0.17 0.13 0.00 0.52 0.00 0.00 34.95 35.89 3ag3 s ARG 188 CO 0.47 -0.09 1.12 -1.25 0.02 0.00 0.00 175.30 175.57 3ag3 s PRO 189 N -2.22 1.25 0.00 3.54 0.04 -1.26 -4.84 135.00 131.51 3ag3 s PRO 189 Ca -0.09 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.38 3ag3 s PRO 189 Cb -0.04 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3ag3 s PRO 189 CO -0.03 -2.15 0.00 0.41 0.04 0.00 0.00 177.00 175.27 3ag3 n GLY 190 N -1.96 0.72 3.10 0.56 0.00 -0.75 -4.91 105.19 101.95 3ag3 n GLY 190 Ca 0.06 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 3ag3 n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag3 s LEU 191 N 0.00 1.95 -0.10 0.99 1.43 -1.26 -0.48 118.68 121.21 3ag3 s LEU 191 Ca 0.00 -0.56 0.04 0.00 -1.03 0.00 0.00 54.13 52.58 3ag3 s LEU 191 Cb 0.00 -1.33 0.00 0.00 0.03 0.00 0.00 46.19 44.89 3ag3 s LEU 191 CO 0.00 0.01 -0.22 -0.31 0.23 0.00 0.00 176.35 176.06 3ag3 s TYR 192 N 1.14 2.38 0.25 0.29 1.51 -0.54 -4.97 117.35 117.41 3ag3 s TYR 192 Ca -0.01 -0.97 0.10 0.00 -1.01 0.00 0.00 57.07 55.18 3ag3 s TYR 192 Cb -0.14 -1.61 -0.04 0.00 -0.11 0.00 0.00 41.96 40.06 3ag3 s TYR 192 CO -0.07 -0.40 -0.07 0.71 -1.11 0.00 0.00 175.55 174.61 3ag3 s TYR 193 N 0.41 2.59 0.38 2.71 2.02 -1.26 -0.69 117.35 123.51 3ag3 s TYR 193 Ca -0.18 -0.25 -0.15 0.00 -0.37 0.00 0.00 57.07 56.13 3ag3 s TYR 193 Cb -0.18 -1.17 0.05 0.00 -0.40 0.00 0.00 41.96 40.27 3ag3 s TYR 193 CO 0.08 0.62 0.77 0.20 -1.57 0.00 0.00 175.55 175.64 3ag3 s GLY 194 N -3.43 0.44 0.01 0.71 0.00 0.10 -4.17 107.32 100.98 3ag3 s GLY 194 Ca 0.29 -0.80 -0.06 0.00 0.00 0.00 0.00 44.72 44.16 3ag3 s GLY 194 CO 0.18 -0.36 0.11 1.20 0.00 0.00 0.00 173.10 174.23 3ag3 s GLN 195 N -2.40 0.47 0.30 2.90 -0.21 -1.21 -0.08 119.66 119.43 3ag3 s GLN 195 Ca 0.16 -0.48 -0.30 0.00 0.02 0.00 0.00 55.36 54.77 3ag3 s GLN 195 Cb -0.05 0.19 -0.11 0.00 1.00 0.00 0.00 33.01 34.04 3ag3 s GLN 195 CO 0.12 -0.11 1.53 0.00 -2.12 0.00 0.00 175.29 174.71 3ag3 n SER 197 N 1.88 1.72 -3.70 0.00 7.64 -0.49 -4.89 113.62 115.78 3ag3 n SER 197 Ca 0.06 -3.17 -0.14 0.00 1.01 0.00 0.00 58.87 56.63 3ag3 n SER 197 Cb 0.39 -0.44 -0.14 0.00 -1.01 0.00 0.00 64.21 63.01 3ag3 n SER 197 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3ag3 s GLU 198 N -2.22 0.13 0.06 1.43 2.56 -1.26 -4.65 118.70 114.74 3ag3 s GLU 198 Ca 0.37 0.56 -0.33 0.00 0.00 0.00 0.00 54.97 55.57 3ag3 s GLU 198 Cb 0.38 -0.15 -0.12 0.00 2.00 0.00 0.00 34.13 36.24 3ag3 s GLU 198 CO -0.09 -0.23 1.77 1.51 -0.56 0.00 0.00 175.26 177.66 3ag3 n ILE 199 N 4.77 0.32 -1.62 -3.70 3.06 -1.26 -4.47 119.36 116.46 3ag3 n ILE 199 Ca -0.16 -0.06 0.03 0.00 -2.50 0.00 0.00 62.75 60.06 3ag3 n ILE 199 Cb 0.51 -1.85 0.04 0.00 0.54 0.00 0.00 39.64 38.88 3ag3 n ILE 199 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ag3 n GLY 201 N -0.38 0.31 0.26 0.00 0.00 -1.26 -4.79 105.19 99.32 3ag3 n GLY 201 Ca 0.04 -2.24 0.13 0.00 0.00 0.00 0.00 46.02 43.95 3ag3 n GLY 201 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ag3 h SER 202 N 0.00 0.00 -0.47 1.61 4.64 -2.03 -2.70 113.55 114.59 3ag3 h SER 202 Ca 0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 3ag3 h SER 202 Cb 0.00 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 61.92 3ag3 h SER 202 CO 0.00 0.13 -0.07 0.59 -0.87 0.00 0.00 176.83 176.61 3ag3 n ASN 203 N -3.44 3.15 -0.31 4.97 3.02 -1.26 -4.65 115.26 116.74 3ag3 n ASN 203 Ca -0.01 -3.79 0.22 0.00 -0.03 0.00 0.00 54.58 50.97 3ag3 n ASN 203 Cb 0.30 -0.64 0.50 0.00 -0.61 0.00 0.00 39.78 39.34 3ag3 n ASN 203 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 3ag3 h HIS 204 N 1.21 0.65 0.00 3.10 -0.00 -1.78 -1.45 115.15 116.87 3ag3 h HIS 204 Ca 0.29 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.68 3ag3 h HIS 204 Cb 1.64 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.86 3ag3 h HIS 204 CO 1.09 0.08 0.00 0.43 -0.00 0.00 0.00 177.93 179.52 3ag3 n SER 205 N -4.61 0.00 -2.06 3.26 7.64 -1.26 -4.03 113.62 112.56 3ag3 n SER 205 Ca 0.25 -0.04 -0.10 0.00 1.01 0.00 0.00 58.87 59.99 3ag3 n SER 205 Cb 0.85 -0.29 0.05 0.00 -1.01 0.00 0.00 64.21 63.81 3ag3 n SER 205 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3ag3 n PHE 206 N -1.29 1.69 -3.26 1.43 0.99 -0.54 -4.84 117.46 111.63 3ag3 n PHE 206 Ca 0.11 -1.96 -0.25 0.00 -0.00 0.00 0.00 57.45 55.36 3ag3 n PHE 206 Cb 0.20 -0.28 -0.08 0.00 -1.00 0.00 0.00 39.48 38.32 3ag3 n PHE 206 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ag3 n MET 207 N -0.62 0.50 -1.73 -1.08 0.00 -1.25 -4.44 117.12 108.49 3ag3 n MET 207 Ca 0.26 -3.19 -0.29 0.00 0.00 0.00 0.00 57.70 54.48 3ag3 n MET 207 Cb 0.90 -1.39 0.14 0.00 0.00 0.00 0.00 33.22 32.86 3ag3 n MET 207 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3ag3 s PRO 208 N -0.67 1.13 -0.05 3.17 0.04 -1.26 -3.47 135.00 133.88 3ag3 s PRO 208 Ca 0.34 0.02 0.04 0.00 0.04 0.00 0.00 61.00 61.44 3ag3 s PRO 208 Cb 0.12 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.80 3ag3 s PRO 208 CO -0.15 -2.15 -0.16 0.42 0.04 0.00 0.00 177.00 175.00 3ag3 s ILE 209 N -3.52 1.37 -0.06 0.56 1.01 0.88 -4.83 121.20 116.60 3ag3 s ILE 209 Ca 0.66 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3ag3 s ILE 209 Cb -0.10 -1.19 0.02 0.00 0.01 0.00 0.00 42.46 41.20 3ag3 s ILE 209 CO 0.52 0.40 -0.05 -0.69 0.00 0.00 0.00 174.94 175.12 3ag3 s VAL 210 N 0.18 0.66 -0.01 2.92 1.01 -1.26 -0.72 120.40 123.18 3ag3 s VAL 210 Ca -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 3ag3 s VAL 210 Cb -0.12 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3ag3 s VAL 210 CO 0.03 0.27 0.06 -0.76 0.00 0.00 0.00 175.10 174.70 3ag3 s LEU 211 N 1.25 3.81 -0.22 3.92 1.43 0.13 -0.43 118.68 128.57 3ag3 s LEU 211 Ca -0.05 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 3ag3 s LEU 211 Cb -0.14 -2.20 0.05 0.00 0.03 0.00 0.00 46.19 43.93 3ag3 s LEU 211 CO -0.02 0.28 -0.07 -0.70 0.23 0.00 0.00 176.35 176.07 3ag3 s GLU 212 N -1.68 1.72 -0.22 1.70 2.12 -0.25 -1.46 118.70 120.63 3ag3 s GLU 212 Ca 0.22 -0.94 -0.07 0.00 0.36 0.00 0.00 54.97 54.54 3ag3 s GLU 212 Cb -0.12 -2.52 -0.03 0.00 0.26 0.00 0.00 34.13 31.72 3ag3 s GLU 212 CO 0.13 -0.55 0.07 -0.51 -0.54 0.00 0.00 175.26 173.86 3ag3 s LEU 213 N 1.40 3.61 0.14 2.70 2.01 0.37 -1.06 118.68 127.84 3ag3 s LEU 213 Ca -0.04 -0.08 -0.05 0.00 0.01 0.00 0.00 54.13 53.97 3ag3 s LEU 213 Cb -0.18 -1.94 -0.03 0.00 0.01 0.00 0.00 46.19 44.05 3ag3 s LEU 213 CO -0.07 0.05 0.15 0.68 1.01 0.00 0.00 176.35 178.18 3ag3 s VAL 214 N 1.10 0.10 0.67 -1.59 -7.23 -0.75 -1.81 120.40 110.89 3ag3 s VAL 214 Ca 0.04 -1.65 -0.17 0.00 -1.81 0.00 0.00 61.98 58.39 3ag3 s VAL 214 Cb -0.14 -1.89 0.01 0.00 0.56 0.00 0.00 36.38 34.91 3ag3 s VAL 214 CO 0.03 -0.44 1.23 -2.84 -0.31 0.00 0.00 175.10 172.78 3ag3 s PRO 215 N -4.00 2.46 0.31 4.82 0.02 -1.26 -0.11 135.00 137.24 3ag3 s PRO 215 Ca 0.19 1.86 0.08 0.00 0.02 0.00 0.00 61.00 63.16 3ag3 s PRO 215 Cb 0.06 -1.86 0.85 0.00 0.02 0.00 0.00 34.50 33.57 3ag3 s PRO 215 CO -0.00 -1.61 1.73 1.25 -0.33 0.00 0.00 177.00 178.03 3ag3 h LEU 216 N 0.23 0.65 -0.79 -5.54 5.85 -1.93 -0.47 115.31 113.30 3ag3 h LEU 216 Ca -0.49 0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.25 3ag3 h LEU 216 Cb 1.31 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 3ag3 h LEU 216 CO 0.52 0.11 -0.54 0.11 -0.34 0.00 0.00 178.44 178.30 3ag3 h LYS 217 N 0.58 0.00 -0.37 1.25 1.79 -2.00 0.10 116.57 117.93 3ag3 h LYS 217 Ca 0.63 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.99 3ag3 h LYS 217 Cb 1.17 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.81 3ag3 h LYS 217 CO -0.47 0.54 -0.19 1.88 -1.08 0.00 0.00 179.45 180.13 3ag3 h TYR 218 N 0.00 0.89 -0.93 -1.35 0.05 -1.49 -2.20 116.97 111.94 3ag3 h TYR 218 Ca -0.01 -0.22 0.02 0.00 0.05 0.00 0.00 58.73 58.57 3ag3 h TYR 218 Cb 1.05 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 38.53 3ag3 h TYR 218 CO 0.00 0.97 0.62 0.35 -1.05 0.00 0.00 178.16 179.04 3ag3 h PHE 219 N 0.57 1.16 -0.14 4.88 3.57 -0.45 0.42 116.94 126.95 3ag3 h PHE 219 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3ag3 h PHE 219 Cb 0.74 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3ag3 h PHE 219 CO 0.06 0.71 0.08 0.93 -2.23 0.00 0.00 178.31 177.86 3ag3 h GLU 220 N 1.24 0.17 -0.48 1.11 5.08 -0.67 -0.39 114.58 120.64 3ag3 h GLU 220 Ca 0.35 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 3ag3 h GLU 220 Cb -0.10 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3ag3 h GLU 220 CO -0.09 0.11 -0.10 0.87 -1.00 0.00 0.00 179.01 178.80 3ag3 h LYS 221 N 0.17 0.87 -0.72 2.33 1.57 -1.19 -2.02 116.57 117.58 3ag3 h LYS 221 Ca 0.05 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 3ag3 h LYS 221 Cb -0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3ag3 h LYS 221 CO -0.02 0.93 0.43 2.35 -0.57 0.00 0.00 179.45 182.56 3ag3 h TRP 222 N 0.79 0.96 -0.18 -1.35 7.01 -0.82 -1.40 115.95 120.95 3ag3 h TRP 222 Ca 0.13 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.12 3ag3 h TRP 222 Cb 0.61 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 3ag3 h TRP 222 CO 0.03 0.65 0.11 0.77 -2.79 0.00 0.00 178.44 177.22 3ag3 h SER 223 N 0.98 0.21 -0.74 2.65 0.02 -0.82 -1.41 113.55 114.44 3ag3 h SER 223 Ca 0.26 -0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.27 3ag3 h SER 223 Cb -0.02 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.40 3ag3 h SER 223 CO -0.05 0.17 0.39 0.00 -1.14 0.00 0.00 176.83 176.21 3ag3 h ALA 224 N 1.04 1.03 0.00 3.77 0.00 -1.15 -1.67 119.26 122.28 3ag3 h ALA 224 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ag3 h ALA 224 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ag3 h ALA 224 CO -0.01 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.11 3ag3 n SER 225 N -4.82 0.00 -1.07 0.00 3.41 -0.55 -2.78 113.62 107.80 3ag3 n SER 225 Ca 0.12 0.37 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 3ag3 n SER 225 Cb 0.27 -0.45 0.23 0.00 -0.26 0.00 0.00 64.21 63.99 3ag3 n SER 225 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3ag3 n MET 226 N -1.45 2.41 0.00 4.33 2.81 -0.63 -5.09 117.12 119.50 3ag3 n MET 226 Ca 0.07 -2.12 0.08 0.00 -1.81 0.00 0.00 57.70 53.92 3ag3 n MET 226 Cb 0.25 -1.50 0.49 0.00 -0.71 0.00 0.00 33.22 31.75 3ag3 n MET 226 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76