#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 s TYR 3 N 0.00 2.51 0.39 0.00 -0.85 -1.26 -5.09 117.35 113.06 3ag4 s TYR 3 Ca 0.00 -0.56 -0.27 0.00 -0.52 0.00 0.00 57.07 55.72 3ag4 s TYR 3 Cb 0.00 -1.64 -0.10 0.00 0.38 0.00 0.00 41.96 40.59 3ag4 s TYR 3 CO 0.00 0.45 1.40 -2.30 -1.52 0.00 0.00 175.55 173.58 3ag4 n PRO 4 N -0.96 2.34 -1.25 -3.49 -0.02 -1.26 -2.57 135.00 127.78 3ag4 n PRO 4 Ca -0.04 0.82 -0.09 0.00 -2.02 0.00 0.00 63.50 62.18 3ag4 n PRO 4 Cb 0.65 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 3ag4 n PRO 4 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3ag4 n MET 5 N 0.25 -1.55 -1.77 -0.52 2.81 -1.26 -4.98 117.12 110.10 3ag4 n MET 5 Ca 0.04 0.78 -0.40 0.00 -1.81 0.00 0.00 57.70 56.31 3ag4 n MET 5 Cb 0.39 -5.09 0.02 0.00 -0.71 0.00 0.00 33.22 27.83 3ag4 n MET 5 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3ag4 s GLN 6 N -2.63 3.64 -0.17 0.03 0.74 -1.06 -4.98 119.66 115.23 3ag4 s GLN 6 Ca 0.00 2.45 0.03 0.00 0.05 0.00 0.00 55.36 57.89 3ag4 s GLN 6 Cb 0.00 -2.63 -0.12 0.00 1.10 0.00 0.00 33.01 31.35 3ag4 s GLN 6 CO 0.00 -0.87 -0.13 1.28 -0.55 0.00 0.00 175.29 175.02 3ag4 n LEU 7 N -0.25 2.59 0.00 3.68 4.77 -1.26 -5.07 117.00 121.46 3ag4 n LEU 7 Ca 0.05 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3ag4 n LEU 7 Cb 0.42 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3ag4 n LEU 7 CO 0.59 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 178.00 3ag4 n GLY 8 N 2.58 5.22 3.77 -0.72 0.00 -1.26 -5.11 105.19 109.67 3ag4 n GLY 8 Ca -0.31 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.50 3ag4 n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ag4 s PHE 9 N 1.91 2.77 0.43 1.61 0.40 -1.26 -5.00 117.98 118.85 3ag4 s PHE 9 Ca 0.00 1.53 -0.22 0.00 -0.60 0.00 0.00 56.93 57.64 3ag4 s PHE 9 Cb 0.00 -3.36 -0.12 0.00 0.51 0.00 0.00 43.02 40.06 3ag4 s PHE 9 CO 0.00 -1.58 0.68 1.04 0.70 0.00 0.00 175.22 176.06 3ag4 n GLN 10 N -0.83 0.77 -1.71 0.44 6.02 -1.26 -4.90 117.38 115.91 3ag4 n GLN 10 Ca 0.09 0.28 -0.40 0.00 -0.01 0.00 0.00 57.00 56.96 3ag4 n GLN 10 Cb 0.49 -1.67 0.03 0.00 1.02 0.00 0.00 30.24 30.10 3ag4 n GLN 10 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3ag4 n ASP 11 N 0.96 2.53 -4.74 1.08 10.43 -1.26 -4.83 116.55 120.72 3ag4 n ASP 11 Ca 0.11 1.04 -0.41 0.00 2.57 0.00 0.00 54.79 58.10 3ag4 n ASP 11 Cb 0.40 -1.53 -0.03 0.00 1.84 0.00 0.00 41.12 41.81 3ag4 n ASP 11 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ag4 s ALA 12 N -1.25 3.53 -0.16 2.24 0.00 -1.26 -4.73 121.76 120.13 3ag4 s ALA 12 Ca 0.65 1.16 0.14 0.00 0.00 0.00 0.00 51.96 53.91 3ag4 s ALA 12 Cb -0.46 -3.49 -0.21 0.00 0.00 0.00 0.00 23.12 18.96 3ag4 s ALA 12 CO 0.54 -0.57 0.38 2.41 0.00 0.00 0.00 175.76 178.52 3ag4 n THR 13 N 2.27 0.00 -4.42 0.00 -1.04 0.58 -4.92 114.28 106.75 3ag4 n THR 13 Ca 0.05 -0.29 -0.22 0.00 -2.04 0.00 0.00 64.05 61.55 3ag4 n THR 13 Cb 0.42 0.36 -0.10 0.00 -1.82 0.00 0.00 70.33 69.19 3ag4 n THR 13 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3ag4 s SER 14 N -3.34 3.17 0.26 8.00 1.04 -1.25 -2.00 113.70 119.58 3ag4 s SER 14 Ca -0.03 -1.00 -0.02 0.00 0.48 0.00 0.00 55.95 55.38 3ag4 s SER 14 Cb 0.09 -0.23 0.50 0.00 0.10 0.00 0.00 66.02 66.49 3ag4 s SER 14 CO 0.59 -0.03 1.78 -0.65 0.98 0.00 0.00 173.24 175.91 3ag4 h PRO 15 N 2.50 0.66 -0.08 4.02 0.11 -1.95 -1.47 132.00 135.79 3ag4 h PRO 15 Ca -0.40 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ag4 h PRO 15 Cb 1.24 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ag4 h PRO 15 CO 0.59 0.44 0.04 0.82 -0.21 0.00 0.00 178.00 179.68 3ag4 h ILE 16 N 0.68 1.12 -0.80 4.15 1.08 -1.93 -0.58 117.51 121.23 3ag4 h ILE 16 Ca 0.45 -0.35 0.05 0.00 -0.39 0.00 0.00 64.86 64.62 3ag4 h ILE 16 Cb 0.58 1.21 -0.05 0.00 -3.07 0.00 0.00 36.82 35.49 3ag4 h ILE 16 CO -0.33 0.10 0.52 -0.03 -0.69 0.00 0.00 178.15 177.73 3ag4 h MET 17 N -0.00 0.89 0.17 2.37 4.05 -1.72 -1.02 114.93 119.67 3ag4 h MET 17 Ca 0.03 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 3ag4 h MET 17 Cb 0.13 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 30.73 3ag4 h MET 17 CO -0.00 0.59 -0.08 1.49 0.23 0.00 0.00 176.91 179.13 3ag4 h GLU 18 N 0.92 -0.23 -0.95 0.39 4.81 -0.84 -0.25 114.58 118.44 3ag4 h GLU 18 Ca 0.33 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.74 3ag4 h GLU 18 Cb 0.15 0.05 -0.16 0.00 0.63 0.00 0.00 28.75 29.41 3ag4 h GLU 18 CO -0.11 0.02 -0.31 -1.91 -0.73 0.00 0.00 179.01 175.97 3ag4 n GLU 19 N -5.10 -0.16 -0.30 1.92 4.07 -0.26 -1.17 120.64 119.64 3ag4 n GLU 19 Ca -0.09 1.47 0.00 0.00 -0.06 0.00 0.00 57.16 58.48 3ag4 n GLU 19 Cb 0.19 -2.18 0.13 0.00 -0.06 0.00 0.00 31.44 29.52 3ag4 n GLU 19 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3ag4 h LEU 20 N 0.00 0.81 -0.96 4.31 3.38 -0.77 -1.28 115.31 120.80 3ag4 h LEU 20 Ca 0.38 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.40 3ag4 h LEU 20 Cb 0.62 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3ag4 h LEU 20 CO -0.96 0.53 0.63 -0.07 0.09 0.00 0.00 178.44 178.66 3ag4 h LEU 21 N 0.95 1.06 -0.72 1.67 3.38 0.48 0.13 115.31 122.26 3ag4 h LEU 21 Ca 0.36 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.19 3ag4 h LEU 21 Cb 0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3ag4 h LEU 21 CO -0.16 0.73 -0.38 0.45 0.09 0.00 0.00 178.44 179.17 3ag4 h HIS 22 N 1.23 0.64 -0.19 1.13 3.86 -0.95 0.80 115.15 121.68 3ag4 h HIS 22 Ca 0.38 -0.18 -0.11 0.00 -1.16 0.00 0.00 60.37 59.30 3ag4 h HIS 22 Cb -0.03 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.30 3ag4 h HIS 22 CO -0.01 0.84 -0.31 0.35 0.86 0.00 0.00 177.93 179.67 3ag4 h PHE 23 N 0.46 0.67 -0.04 2.45 3.04 -0.80 -1.76 116.94 120.96 3ag4 h PHE 23 Ca 0.04 -0.23 0.03 0.00 3.98 0.00 0.00 57.97 61.80 3ag4 h PHE 23 Cb 0.86 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 39.20 3ag4 h PHE 23 CO 0.03 0.95 -0.21 1.25 -2.02 0.00 0.00 178.31 178.32 3ag4 h HIS 24 N 0.20 -0.54 -0.74 0.41 2.76 -0.56 -1.12 115.15 115.56 3ag4 h HIS 24 Ca 0.02 0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.36 3ag4 h HIS 24 Cb 0.89 0.25 -0.14 0.00 1.55 0.00 0.00 27.41 29.96 3ag4 h HIS 24 CO 0.09 -0.29 -0.15 -0.44 -1.30 0.00 0.00 177.93 175.84 3ag4 h ASP 25 N -0.31 -0.62 -0.50 3.26 3.32 -0.64 0.46 116.42 121.38 3ag4 h ASP 25 Ca 0.07 0.22 0.02 0.00 0.02 0.00 0.00 57.03 57.36 3ag4 h ASP 25 Cb 0.41 0.44 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 3ag4 h ASP 25 CO -0.22 -0.23 0.30 -0.74 -1.72 0.00 0.00 179.24 176.63 3ag4 h HIS 26 N 0.02 0.56 -0.09 4.55 -0.00 -1.05 -2.24 115.15 116.89 3ag4 h HIS 26 Ca 0.36 0.02 -0.22 0.00 -0.00 0.00 0.00 60.37 60.54 3ag4 h HIS 26 Cb 0.57 -0.18 0.01 0.00 -0.00 0.00 0.00 27.41 27.81 3ag4 h HIS 26 CO -0.56 0.32 -0.82 1.15 -0.00 0.00 0.00 177.93 178.03 3ag4 h THR 27 N 0.60 1.33 -0.11 6.26 2.02 0.21 -3.12 112.91 120.09 3ag4 h THR 27 Ca 0.20 -2.13 -0.09 0.00 0.77 0.00 0.00 66.41 65.17 3ag4 h THR 27 Cb 0.02 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3ag4 h THR 27 CO -0.09 0.66 -0.33 0.25 0.37 0.00 0.00 175.52 176.38 3ag4 h LEU 28 N 0.39 0.21 -0.07 2.58 5.85 0.07 -1.26 115.31 123.09 3ag4 h LEU 28 Ca -0.06 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.60 3ag4 h LEU 28 Cb 1.43 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 3ag4 h LEU 28 CO 0.15 0.54 -0.04 -0.03 -0.34 0.00 0.00 178.44 178.73 3ag4 h MET 29 N 0.19 -0.03 -0.47 1.25 4.05 -1.37 -0.74 114.93 117.80 3ag4 h MET 29 Ca 0.02 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3ag4 h MET 29 Cb 0.68 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.46 3ag4 h MET 29 CO 0.05 -0.02 0.28 0.82 0.23 0.00 0.00 176.91 178.27 3ag4 h ILE 30 N -0.03 1.15 -0.61 1.77 2.04 -1.22 -0.48 117.51 120.13 3ag4 h ILE 30 Ca 0.04 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3ag4 h ILE 30 Cb 0.09 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3ag4 h ILE 30 CO -0.09 0.15 0.41 0.58 0.00 0.00 0.00 178.15 179.19 3ag4 h VAL 31 N 0.63 1.09 0.29 1.67 2.07 -1.12 -1.01 116.25 119.87 3ag4 h VAL 31 Ca 0.17 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3ag4 h VAL 31 Cb -0.01 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3ag4 h VAL 31 CO -0.03 0.13 -0.14 -0.26 0.02 0.00 0.00 177.57 177.29 3ag4 h PHE 32 N 0.73 -0.37 -0.42 1.57 0.05 0.39 -0.44 116.94 118.46 3ag4 h PHE 32 Ca 0.24 -0.01 0.04 0.00 3.82 0.00 0.00 57.97 62.06 3ag4 h PHE 32 Cb 0.06 0.12 -0.05 0.00 2.00 0.00 0.00 35.95 38.08 3ag4 h PHE 32 CO -0.00 -0.23 -0.25 1.28 -0.18 0.00 0.00 178.31 178.93 3ag4 n LEU 33 N -3.51 -0.44 -0.14 1.54 4.32 -0.42 -1.12 117.00 117.22 3ag4 n LEU 33 Ca -0.05 0.89 -0.10 0.00 -0.02 0.00 0.00 56.01 56.73 3ag4 n LEU 33 Cb 0.16 -0.17 -0.01 0.00 -1.62 0.00 0.00 43.42 41.77 3ag4 n LEU 33 CO 0.12 -0.68 0.83 0.40 -1.22 0.00 0.00 177.39 176.84 3ag4 h ILE 34 N 0.00 1.25 -0.51 -0.08 2.04 -1.19 0.24 117.51 119.25 3ag4 h ILE 34 Ca 0.07 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 3ag4 h ILE 34 Cb 0.17 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3ag4 h ILE 34 CO -0.39 0.31 0.23 0.77 0.00 0.00 0.00 178.15 179.06 3ag4 h SER 35 N 0.51 0.65 0.18 1.72 4.64 -0.68 -1.30 113.55 119.27 3ag4 h SER 35 Ca 0.12 -0.07 -0.30 0.00 -0.47 0.00 0.00 61.79 61.07 3ag4 h SER 35 Cb 0.39 -0.17 0.03 0.00 -0.31 0.00 0.00 62.40 62.35 3ag4 h SER 35 CO 0.01 0.58 -1.29 0.77 -0.87 0.00 0.00 176.83 176.02 3ag4 h SER 36 N 0.72 0.83 -0.32 4.97 4.64 -0.68 -2.11 113.55 121.61 3ag4 h SER 36 Ca 0.18 -0.87 0.07 0.00 -0.47 0.00 0.00 61.79 60.70 3ag4 h SER 36 Cb 0.11 -0.27 -0.07 0.00 -0.31 0.00 0.00 62.40 61.86 3ag4 h SER 36 CO -0.02 1.63 -0.13 0.25 -0.87 0.00 0.00 176.83 177.69 3ag4 h LEU 37 N 0.16 -0.46 -0.41 5.97 5.85 -0.25 0.31 115.31 126.49 3ag4 h LEU 37 Ca -0.21 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3ag4 h LEU 37 Cb 1.99 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 43.24 3ag4 h LEU 37 CO 0.25 -0.17 0.17 0.58 -0.34 0.00 0.00 178.44 178.93 3ag4 h VAL 38 N -0.08 0.92 -0.69 1.05 2.07 -1.21 0.28 116.25 118.59 3ag4 h VAL 38 Ca 0.16 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 3ag4 h VAL 38 Cb 0.32 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3ag4 h VAL 38 CO -0.37 0.06 0.14 0.25 0.02 0.00 0.00 177.57 177.68 3ag4 h LEU 39 N 0.35 1.06 0.74 2.57 5.85 -0.63 0.18 115.31 125.43 3ag4 h LEU 39 Ca 0.18 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 3ag4 h LEU 39 Cb 0.13 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 40.89 3ag4 h LEU 39 CO -0.16 1.03 -0.36 0.22 -0.34 0.00 0.00 178.44 178.83 3ag4 h TYR 40 N 1.05 -0.92 -0.87 1.25 3.20 0.01 -2.11 116.97 118.57 3ag4 h TYR 40 Ca 0.21 -0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.26 3ag4 h TYR 40 Cb 0.40 0.30 -0.12 0.00 1.54 0.00 0.00 36.73 38.85 3ag4 h TYR 40 CO 0.03 -0.57 0.37 0.82 -1.64 0.00 0.00 178.16 177.17 3ag4 h ILE 41 N -1.09 0.51 -0.51 1.81 2.04 -0.40 1.27 117.51 121.13 3ag4 h ILE 41 Ca -0.10 -0.14 0.09 0.00 1.00 0.00 0.00 64.86 65.71 3ag4 h ILE 41 Cb 0.76 0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 3ag4 h ILE 41 CO 0.17 0.07 0.08 0.40 0.00 0.00 0.00 178.15 178.87 3ag4 h ILE 42 N 0.41 0.68 -0.40 -0.67 2.04 -0.50 -0.34 117.51 118.73 3ag4 h ILE 42 Ca 0.53 -0.07 -0.13 0.00 1.00 0.00 0.00 64.86 66.18 3ag4 h ILE 42 Cb 0.96 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3ag4 h ILE 42 CO -0.51 0.04 -0.29 0.77 0.00 0.00 0.00 178.15 178.16 3ag4 h SER 43 N 0.21 0.90 -0.26 1.72 4.64 0.21 -2.36 113.55 118.61 3ag4 h SER 43 Ca 0.26 -0.36 0.03 0.00 -0.47 0.00 0.00 61.79 61.25 3ag4 h SER 43 Cb 0.37 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 3ag4 h SER 43 CO -0.36 1.12 0.09 0.25 -0.87 0.00 0.00 176.83 177.06 3ag4 h LEU 44 N 0.73 0.10 -2.08 5.97 5.85 -0.02 -1.89 115.31 123.97 3ag4 h LEU 44 Ca 0.08 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3ag4 h LEU 44 Cb 0.84 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 3ag4 h LEU 44 CO 0.07 0.09 -0.08 0.24 -0.34 0.00 0.00 178.44 178.42 3ag4 h MET 45 N 0.21 0.00 -0.01 1.25 2.86 -0.82 -3.14 114.93 115.27 3ag4 h MET 45 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3ag4 h MET 45 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3ag4 h MET 45 CO -0.12 0.08 -0.46 1.28 1.06 0.00 0.00 176.91 178.75 3ag4 n LEU 46 N -3.59 1.98 -1.09 1.22 4.77 -0.80 -4.55 117.00 114.95 3ag4 n LEU 46 Ca -0.02 -0.76 -0.02 0.00 -0.03 0.00 0.00 56.01 55.18 3ag4 n LEU 46 Cb 0.20 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.50 3ag4 n LEU 46 CO 0.28 0.37 0.69 0.35 -1.33 0.00 0.00 177.39 177.75 3ag4 n THR 47 N -0.04 2.49 -4.29 -5.08 -2.24 -0.78 -4.99 114.28 99.35 3ag4 n THR 47 Ca 0.09 -2.62 -0.20 0.00 -2.27 0.00 0.00 64.05 59.06 3ag4 n THR 47 Cb 0.45 -0.31 -0.13 0.00 -2.10 0.00 0.00 70.33 68.25 3ag4 n THR 47 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3ag4 s THR 48 N -3.18 1.13 -1.01 4.28 -1.32 -1.26 -5.00 115.64 109.28 3ag4 s THR 48 Ca 0.44 -1.11 0.28 0.00 -1.21 0.00 0.00 61.69 60.09 3ag4 s THR 48 Cb 0.39 -1.04 0.20 0.00 -1.51 0.00 0.00 72.50 70.54 3ag4 s THR 48 CO 0.01 -0.07 1.83 0.29 -2.21 0.00 0.00 174.62 174.47 3ag4 n LYS 49 N 1.68 0.01 -2.38 7.08 4.76 -1.26 -4.89 118.16 123.16 3ag4 n LYS 49 Ca -0.19 -0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 54.89 3ag4 n LYS 49 Cb 0.54 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.22 3ag4 n LYS 49 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ag4 s LEU 50 N -2.99 3.91 0.07 -0.35 1.43 -1.26 -5.04 118.68 114.44 3ag4 s LEU 50 Ca 0.14 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 3ag4 s LEU 50 Cb 0.19 -4.42 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 3ag4 s LEU 50 CO 0.56 -0.91 -0.04 0.42 0.23 0.00 0.00 176.35 176.61 3ag4 s THR 51 N -1.75 0.40 -0.29 5.49 -4.23 -1.26 -5.12 115.64 108.87 3ag4 s THR 51 Ca 0.67 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.35 3ag4 s THR 51 Cb -0.23 -1.62 0.20 0.00 1.34 0.00 0.00 72.50 72.19 3ag4 s THR 51 CO 0.27 -0.92 0.62 -2.28 -0.54 0.00 0.00 174.62 171.77 3ag4 s HIS 52 N -3.81 -1.74 0.00 3.99 5.04 -1.26 -5.04 115.29 112.47 3ag4 s HIS 52 Ca 0.10 1.17 0.00 0.00 -1.54 0.00 0.00 55.06 54.79 3ag4 s HIS 52 Cb 0.07 0.36 0.00 0.00 0.04 0.00 0.00 32.58 33.05 3ag4 s HIS 52 CO -0.07 -1.00 0.23 0.25 -2.34 0.00 0.00 174.74 171.80 3ag4 n THR 53 N 5.41 0.00 -1.38 0.89 -2.24 -1.26 -5.02 114.28 110.68 3ag4 n THR 53 Ca 0.04 -0.35 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 3ag4 n THR 53 Cb 0.54 1.19 0.18 0.00 -2.10 0.00 0.00 70.33 70.14 3ag4 n THR 53 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3ag4 s SER 54 N -0.25 2.48 0.25 3.42 1.04 -1.26 -4.97 113.70 114.40 3ag4 s SER 54 Ca 0.00 0.81 -0.31 0.00 0.48 0.00 0.00 55.95 56.93 3ag4 s SER 54 Cb 0.00 -1.23 -0.12 0.00 0.10 0.00 0.00 66.02 64.77 3ag4 s SER 54 CO 0.00 -3.18 1.66 0.41 0.98 0.00 0.00 173.24 173.11 3ag4 n THR 55 N -4.16 0.46 -4.57 2.02 -1.04 -1.26 -5.00 114.28 100.73 3ag4 n THR 55 Ca 0.09 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.05 61.66 3ag4 n THR 55 Cb 0.59 -1.96 -0.13 0.00 -1.82 0.00 0.00 70.33 67.01 3ag4 n THR 55 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3ag4 s MET 56 N 0.41 3.47 0.25 -2.82 1.00 -1.26 -5.10 119.30 115.25 3ag4 s MET 56 Ca 0.70 -0.59 -0.30 0.00 0.00 0.00 0.00 55.69 55.51 3ag4 s MET 56 Cb -0.51 -2.77 -0.09 0.00 0.00 0.00 0.00 34.83 31.46 3ag4 s MET 56 CO 0.40 0.28 1.19 0.34 0.00 0.00 0.00 175.02 177.22 3ag4 s ASP 57 N 0.23 7.08 -0.00 3.03 2.15 -1.26 -4.96 116.67 122.94 3ag4 s ASP 57 Ca -0.05 2.35 0.05 0.00 0.43 0.00 0.00 52.55 55.33 3ag4 s ASP 57 Cb -0.15 -2.62 -0.07 0.00 -0.30 0.00 0.00 42.92 39.78 3ag4 s ASP 57 CO 0.04 -0.32 0.18 0.00 -0.17 0.00 0.00 175.17 174.89 3ag4 n ALA 58 N 1.68 2.47 -0.76 3.66 0.00 -1.26 -4.82 120.51 121.48 3ag4 n ALA 58 Ca 0.01 -0.14 -0.07 0.00 0.00 0.00 0.00 53.44 53.25 3ag4 n ALA 58 Cb 0.44 -0.19 -0.10 0.00 0.00 0.00 0.00 19.45 19.60 3ag4 n ALA 58 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3ag4 n GLN 59 N -1.38 1.51 0.10 0.00 -0.06 -1.26 -1.20 117.38 115.08 3ag4 n GLN 59 Ca 0.00 -0.57 0.00 0.00 -2.00 0.00 0.00 57.00 54.43 3ag4 n GLN 59 Cb 0.11 -1.60 0.00 0.00 -4.06 0.00 0.00 30.24 24.69 3ag4 n GLN 59 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 3ag4 n GLU 60 N 2.14 0.00 -0.01 3.69 -0.00 -1.26 -4.84 120.64 120.36 3ag4 n GLU 60 Ca 0.25 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.43 3ag4 n GLU 60 Cb 0.71 0.00 0.38 0.00 -0.00 0.00 0.00 31.44 32.53 3ag4 n GLU 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 3ag4 h VAL 61 N 0.00 1.13 -0.58 3.84 3.04 -1.84 -2.81 116.25 119.03 3ag4 h VAL 61 Ca 0.00 -0.35 0.05 0.00 -1.01 0.00 0.00 66.70 65.39 3ag4 h VAL 61 Cb 0.00 0.60 -0.03 0.00 -2.01 0.00 0.00 31.29 29.85 3ag4 h VAL 61 CO 0.00 0.15 0.38 -0.33 -1.01 0.00 0.00 177.57 176.76 3ag4 h GLU 62 N 0.56 0.59 -0.29 4.17 5.08 -1.48 -1.71 114.58 121.50 3ag4 h GLU 62 Ca 0.14 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3ag4 h GLU 62 Cb 0.04 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3ag4 h GLU 62 CO -0.02 0.39 0.15 1.15 -1.00 0.00 0.00 179.01 179.67 3ag4 h THR 63 N 0.60 1.00 -0.16 1.13 2.02 -1.77 -1.71 112.91 114.03 3ag4 h THR 63 Ca 0.24 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 3ag4 h THR 63 Cb 0.19 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3ag4 h THR 63 CO -0.07 0.06 0.09 0.40 0.37 0.00 0.00 175.52 176.37 3ag4 h ILE 64 N 0.31 1.07 -0.22 3.11 2.04 -1.38 0.19 117.51 122.63 3ag4 h ILE 64 Ca 0.12 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3ag4 h ILE 64 Cb 0.03 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3ag4 h ILE 64 CO -0.08 0.07 0.00 -2.67 0.00 0.00 0.00 178.15 175.47 3ag4 n TRP 65 N -4.95 0.30 -0.11 1.37 2.14 -0.85 -1.48 117.44 113.85 3ag4 n TRP 65 Ca -0.04 -0.15 -0.21 0.00 2.07 0.00 0.00 57.50 59.17 3ag4 n TRP 65 Cb 0.05 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.48 3ag4 n TRP 65 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 3ag4 n THR 66 N 0.18 1.45 -0.13 -1.67 -1.04 -0.66 -4.56 114.28 107.85 3ag4 n THR 66 Ca 0.10 -0.19 -0.08 0.00 -2.04 0.00 0.00 64.05 61.84 3ag4 n THR 66 Cb 0.22 -2.01 0.00 0.00 -1.82 0.00 0.00 70.33 66.72 3ag4 n THR 66 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3ag4 h ILE 67 N -0.93 1.11 0.51 12.58 1.08 -0.61 -1.08 117.51 130.17 3ag4 h ILE 67 Ca -0.44 -0.22 -0.02 0.00 -0.39 0.00 0.00 64.86 63.78 3ag4 h ILE 67 Cb 1.36 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.63 3ag4 h ILE 67 CO -0.26 0.11 -0.24 -0.07 -0.69 0.00 0.00 178.15 176.99 3ag4 h LEU 68 N 0.56 -0.58 -0.69 1.44 4.07 -1.47 0.13 115.31 118.78 3ag4 h LEU 68 Ca 0.15 -0.02 0.11 0.00 0.08 0.00 0.00 57.88 58.20 3ag4 h LEU 68 Cb -0.05 0.15 -0.08 0.00 1.08 0.00 0.00 40.66 41.76 3ag4 h LEU 68 CO -0.03 -0.35 0.28 -0.65 -1.08 0.00 0.00 178.44 176.61 3ag4 h PRO 69 N -0.76 0.45 -0.49 1.13 0.11 -1.76 0.25 132.00 130.93 3ag4 h PRO 69 Ca -0.07 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.04 3ag4 h PRO 69 Cb 0.56 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.53 3ag4 h PRO 69 CO 0.11 0.30 0.28 0.00 -0.21 0.00 0.00 178.00 178.48 3ag4 h ALA 70 N 1.47 0.63 0.12 -0.75 0.00 -0.83 0.58 119.26 120.48 3ag4 h ALA 70 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3ag4 h ALA 70 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ag4 h ALA 70 CO -0.33 -0.04 -0.06 0.82 0.00 0.00 0.00 179.25 179.63 3ag4 h ILE 71 N 0.55 0.95 -0.82 0.00 2.04 0.09 -1.81 117.51 118.51 3ag4 h ILE 71 Ca 0.20 -0.30 0.18 0.00 1.00 0.00 0.00 64.86 65.95 3ag4 h ILE 71 Cb 0.06 1.14 -0.11 0.00 -0.74 0.00 0.00 36.82 37.17 3ag4 h ILE 71 CO -0.11 0.07 0.32 0.40 0.00 0.00 0.00 178.15 178.83 3ag4 h ILE 72 N -0.30 0.54 -0.24 -0.67 2.04 0.18 -1.38 117.51 117.67 3ag4 h ILE 72 Ca -0.02 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.59 3ag4 h ILE 72 Cb 0.24 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3ag4 h ILE 72 CO 0.03 0.07 -0.34 -0.07 0.00 0.00 0.00 178.15 177.84 3ag4 h LEU 73 N 0.39 0.53 -0.70 1.44 3.38 -0.65 -1.82 115.31 117.88 3ag4 h LEU 73 Ca 0.48 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 3ag4 h LEU 73 Cb 0.84 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3ag4 h LEU 73 CO -0.49 0.83 0.13 0.40 0.09 0.00 0.00 178.44 179.40 3ag4 h ILE 74 N 0.43 1.26 0.00 1.22 2.04 -0.44 0.62 117.51 122.65 3ag4 h ILE 74 Ca 0.05 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 3ag4 h ILE 74 Cb 0.80 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3ag4 h ILE 74 CO 0.07 0.39 -0.09 -0.07 0.00 0.00 0.00 178.15 178.45 3ag4 h LEU 75 N 1.06 0.00 0.00 1.44 4.07 -0.77 0.04 115.31 121.15 3ag4 h LEU 75 Ca 0.21 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.13 3ag4 h LEU 75 Cb 0.42 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 3ag4 h LEU 75 CO 0.01 0.09 -0.26 0.40 -1.08 0.00 0.00 178.44 177.60 3ag4 h ILE 76 N 0.00 1.28 -0.67 1.22 2.04 -0.80 -3.40 117.51 117.18 3ag4 h ILE 76 Ca -0.00 -2.05 0.14 0.00 1.00 0.00 0.00 64.86 63.95 3ag4 h ILE 76 Cb 0.18 2.50 -0.12 0.00 -0.74 0.00 0.00 36.82 38.64 3ag4 h ILE 76 CO 0.01 0.43 -0.12 0.00 0.00 0.00 0.00 178.15 178.48 3ag4 h ALA 77 N -0.29 0.51 0.65 1.87 0.00 0.64 -2.47 119.26 120.17 3ag4 h ALA 77 Ca -0.06 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ag4 h ALA 77 Cb 0.88 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3ag4 h ALA 77 CO -0.04 -0.42 -0.45 -0.07 0.00 0.00 0.00 179.25 178.27 3ag4 h LEU 78 N 0.03 -1.17 -1.18 0.00 4.07 -1.21 -0.85 115.31 115.00 3ag4 h LEU 78 Ca 0.33 0.07 0.02 0.00 0.08 0.00 0.00 57.88 58.38 3ag4 h LEU 78 Cb 0.52 0.36 -0.04 0.00 1.08 0.00 0.00 40.66 42.58 3ag4 h LEU 78 CO -0.66 -0.67 0.55 1.55 -1.08 0.00 0.00 178.44 178.14 3ag4 h PRO 79 N -1.05 1.08 -0.82 1.13 0.13 -1.76 -1.50 132.00 129.21 3ag4 h PRO 79 Ca -0.09 -0.06 0.13 0.00 -0.87 0.00 0.00 66.00 65.11 3ag4 h PRO 79 Cb 0.86 -0.24 -0.09 0.00 0.13 0.00 0.00 31.00 31.66 3ag4 h PRO 79 CO 0.05 0.71 0.41 1.03 -0.23 0.00 0.00 178.00 179.98 3ag4 h SER 80 N 1.11 0.50 0.83 1.44 0.87 -1.15 -2.03 113.55 115.12 3ag4 h SER 80 Ca 0.31 0.08 -0.23 0.00 -1.23 0.00 0.00 61.79 60.73 3ag4 h SER 80 Cb -0.09 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 3ag4 h SER 80 CO -0.08 0.23 -1.26 -0.07 -0.53 0.00 0.00 176.83 175.13 3ag4 h LEU 81 N 0.62 0.00 -0.17 2.23 3.38 -0.77 -1.98 115.31 118.62 3ag4 h LEU 81 Ca 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 3ag4 h LEU 81 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3ag4 h LEU 81 CO -0.34 0.90 0.09 -0.09 0.09 0.00 0.00 178.44 179.09 3ag4 h ARG 82 N 0.00 0.23 -0.57 1.13 2.43 -1.02 -0.71 114.38 115.87 3ag4 h ARG 82 Ca -0.13 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3ag4 h ARG 82 Cb 1.80 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 31.27 3ag4 h ARG 82 CO 0.10 0.25 0.34 0.82 -1.51 0.00 0.00 179.97 179.97 3ag4 h ILE 83 N 0.16 1.05 -0.13 1.20 2.04 -1.38 0.30 117.51 120.74 3ag4 h ILE 83 Ca 0.06 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.72 3ag4 h ILE 83 Cb 0.09 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 3ag4 h ILE 83 CO -0.01 0.12 -0.09 0.25 0.00 0.00 0.00 178.15 178.42 3ag4 h LEU 84 N 0.67 -0.29 -0.13 1.44 5.85 -1.07 -0.17 115.31 121.61 3ag4 h LEU 84 Ca 0.23 0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.84 3ag4 h LEU 84 Cb 0.05 0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.24 3ag4 h LEU 84 CO -0.11 -0.12 -0.63 1.88 -0.34 0.00 0.00 178.44 179.11 3ag4 h TYR 85 N -0.09 0.88 -0.96 1.25 -1.99 -0.59 -2.62 116.97 112.85 3ag4 h TYR 85 Ca 0.08 -0.39 0.13 0.00 2.00 0.00 0.00 58.73 60.56 3ag4 h TYR 85 Cb 0.22 -0.14 -0.08 0.00 2.00 0.00 0.00 36.73 38.73 3ag4 h TYR 85 CO -0.22 1.19 0.61 1.98 -0.00 0.00 0.00 178.16 181.72 3ag4 h MET 86 N 0.32 0.84 -0.55 4.88 1.85 -0.28 0.40 114.93 122.39 3ag4 h MET 86 Ca -0.04 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 58.99 3ag4 h MET 86 Cb 1.27 -0.19 -0.03 0.00 0.43 0.00 0.00 31.60 33.09 3ag4 h MET 86 CO 0.13 0.55 0.33 0.52 -0.40 0.00 0.00 176.91 178.04 3ag4 h MET 87 N 0.86 0.74 0.01 0.39 2.86 -0.84 -3.17 114.93 115.79 3ag4 h MET 87 Ca 0.48 -0.06 -0.21 0.00 -2.06 0.00 0.00 59.70 57.85 3ag4 h MET 87 Cb 0.60 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3ag4 h MET 87 CO -0.25 0.53 -0.92 0.22 1.06 0.00 0.00 176.91 177.55 3ag4 h ASP 88 N 0.76 0.27 -0.72 1.22 1.82 0.11 -3.47 116.42 116.40 3ag4 h ASP 88 Ca 0.20 -0.22 -0.50 0.00 -0.39 0.00 0.00 57.03 56.11 3ag4 h ASP 88 Cb -0.02 -0.08 0.07 0.00 0.68 0.00 0.00 39.33 39.98 3ag4 h ASP 88 CO -0.04 1.05 -0.29 -0.62 -1.61 0.00 0.00 179.24 177.73 3ag4 n GLU 89 N -3.63 0.00 -1.65 0.28 1.02 -0.38 -4.85 120.64 111.42 3ag4 n GLU 89 Ca -0.04 0.00 -0.48 0.00 -0.02 0.00 0.00 57.16 56.62 3ag4 n GLU 89 Cb 0.83 -0.80 -0.05 0.00 -0.02 0.00 0.00 31.44 31.40 3ag4 n GLU 89 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3ag4 n ILE 90 N 0.24 0.10 0.03 -3.67 5.41 -1.26 -4.91 119.36 115.30 3ag4 n ILE 90 Ca 0.13 -0.02 0.05 0.00 1.00 0.00 0.00 62.75 63.92 3ag4 n ILE 90 Cb 0.15 -1.40 -0.08 0.00 -0.71 0.00 0.00 39.64 37.60 3ag4 n ILE 90 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3ag4 n ASN 91 N 3.76 2.53 -1.27 4.38 3.02 -1.26 -5.09 115.26 121.33 3ag4 n ASN 91 Ca 0.19 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 3ag4 n ASN 91 Cb 0.26 1.42 0.00 0.00 -0.61 0.00 0.00 39.78 40.85 3ag4 n ASN 91 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ag4 n ASN 92 N -1.79 -2.61 -4.78 6.41 3.02 -1.26 -4.98 115.26 109.27 3ag4 n ASN 92 Ca -0.02 0.26 -0.35 0.00 -0.03 0.00 0.00 54.58 54.45 3ag4 n ASN 92 Cb 0.25 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 3ag4 n ASN 92 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3ag4 s PRO 93 N -0.15 3.36 0.00 3.52 0.04 -1.26 -4.86 135.00 135.65 3ag4 s PRO 93 Ca 0.00 1.53 0.24 0.00 0.04 0.00 0.00 61.00 62.81 3ag4 s PRO 93 Cb 0.00 -2.01 0.26 0.00 0.04 0.00 0.00 34.50 32.79 3ag4 s PRO 93 CO 0.00 -0.82 1.24 -1.13 0.04 0.00 0.00 177.00 176.33 3ag4 n SER 94 N -1.40 0.85 -3.75 6.66 3.41 -0.28 -4.96 113.62 114.16 3ag4 n SER 94 Ca 0.11 -0.67 -0.13 0.00 -0.26 0.00 0.00 58.87 57.92 3ag4 n SER 94 Cb 0.51 0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 64.85 3ag4 n SER 94 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3ag4 s LEU 95 N -2.89 0.57 -0.13 1.04 2.96 -1.25 -5.08 118.68 113.89 3ag4 s LEU 95 Ca 0.12 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 54.75 3ag4 s LEU 95 Cb 0.17 1.14 0.01 0.00 0.50 0.00 0.00 46.19 48.01 3ag4 s LEU 95 CO 0.72 -0.13 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.52 3ag4 s THR 96 N 0.46 2.18 -0.01 3.68 2.01 -1.26 -0.82 115.64 121.88 3ag4 s THR 96 Ca -0.02 -0.95 0.08 0.00 0.31 0.00 0.00 61.69 61.10 3ag4 s THR 96 Cb -0.04 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 3ag4 s THR 96 CO -0.02 0.55 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.52 3ag4 s VAL 97 N 0.69 1.93 0.03 3.82 1.01 -0.55 -4.38 120.40 122.95 3ag4 s VAL 97 Ca -0.10 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 60.81 3ag4 s VAL 97 Cb -0.16 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3ag4 s VAL 97 CO 0.01 0.50 0.04 -0.54 0.00 0.00 0.00 175.10 175.11 3ag4 s LYS 98 N -0.69 2.87 -0.03 2.72 1.02 0.07 -0.63 119.74 125.07 3ag4 s LYS 98 Ca 0.10 -0.62 0.03 0.00 0.02 0.00 0.00 55.97 55.50 3ag4 s LYS 98 Cb -0.09 -2.73 -0.00 0.00 -0.52 0.00 0.00 37.83 34.49 3ag4 s LYS 98 CO -0.00 0.61 -0.12 -0.08 -0.92 0.00 0.00 175.35 174.83 3ag4 s THR 99 N -1.22 1.00 -0.09 2.17 -1.32 0.25 -0.95 115.64 115.48 3ag4 s THR 99 Ca 0.24 -0.50 0.04 0.00 -1.21 0.00 0.00 61.69 60.26 3ag4 s THR 99 Cb -0.12 -0.87 -0.01 0.00 -1.51 0.00 0.00 72.50 70.00 3ag4 s THR 99 CO 0.15 0.30 -0.22 -0.04 -2.21 0.00 0.00 174.62 172.59 3ag4 s MET 100 N 0.01 2.92 0.31 7.08 -1.94 0.57 -1.47 119.30 126.78 3ag4 s MET 100 Ca -0.01 -0.85 -0.18 0.00 -1.71 0.00 0.00 55.69 52.93 3ag4 s MET 100 Cb -0.08 -2.31 -0.09 0.00 2.01 0.00 0.00 34.83 34.36 3ag4 s MET 100 CO 0.01 0.27 0.78 0.20 -0.01 0.00 0.00 175.02 176.26 3ag4 s GLY 101 N 0.14 2.47 0.13 -0.03 0.00 0.89 -0.54 107.32 110.37 3ag4 s GLY 101 Ca -0.12 0.17 -0.04 0.00 0.00 0.00 0.00 44.72 44.74 3ag4 s GLY 101 CO 0.07 0.45 0.12 0.30 0.00 0.00 0.00 173.10 174.04 3ag4 s HIS 102 N -1.84 0.66 -0.45 1.90 3.76 -0.09 -1.85 115.29 117.37 3ag4 s HIS 102 Ca 0.52 -1.05 -0.26 0.00 -0.15 0.00 0.00 55.06 54.12 3ag4 s HIS 102 Cb -0.13 -0.33 0.03 0.00 1.11 0.00 0.00 32.58 33.26 3ag4 s HIS 102 CO 0.18 -0.56 0.93 -0.65 -0.85 0.00 0.00 174.74 173.79 3ag4 s GLN 103 N -4.00 3.57 -0.43 1.40 -0.21 -1.26 -0.18 119.66 118.55 3ag4 s GLN 103 Ca 0.19 0.22 0.02 0.00 0.02 0.00 0.00 55.36 55.81 3ag4 s GLN 103 Cb 0.06 -3.91 0.13 0.00 1.00 0.00 0.00 33.01 30.29 3ag4 s GLN 103 CO -0.01 -1.20 0.21 -1.58 -2.12 0.00 0.00 175.29 170.59 3ag4 s TRP 104 N 3.74 2.30 0.05 0.91 0.51 -1.26 -5.13 118.94 120.07 3ag4 s TRP 104 Ca 0.37 -2.51 -0.28 0.00 -2.12 0.00 0.00 56.10 51.56 3ag4 s TRP 104 Cb -0.10 -2.12 0.09 0.00 -0.81 0.00 0.00 33.47 30.53 3ag4 s TRP 104 CO 0.26 -0.80 1.11 1.52 -0.51 0.00 0.00 176.95 178.52 3ag4 s TYR 105 N 0.46 -0.11 -0.02 -1.98 1.13 0.74 -4.72 117.35 112.85 3ag4 s TYR 105 Ca 0.16 -0.09 0.05 0.00 -1.41 0.00 0.00 57.07 55.78 3ag4 s TYR 105 Cb -0.23 0.59 -0.03 0.00 -1.10 0.00 0.00 41.96 41.19 3ag4 s TYR 105 CO -0.04 -0.55 -0.15 -1.58 -2.51 0.00 0.00 175.55 170.73 3ag4 s TRP 106 N -2.87 2.67 0.10 -3.49 0.52 -1.04 -0.91 118.94 113.91 3ag4 s TRP 106 Ca 0.12 -0.18 0.06 0.00 0.02 0.00 0.00 56.10 56.12 3ag4 s TRP 106 Cb 0.01 -1.58 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 3ag4 s TRP 106 CO -0.01 0.21 -0.07 -1.54 0.02 0.00 0.00 176.95 175.56 3ag4 s SER 107 N -0.99 4.60 0.11 2.95 1.04 0.29 -0.33 113.70 121.37 3ag4 s SER 107 Ca 0.13 -0.31 0.09 0.00 0.48 0.00 0.00 55.95 56.33 3ag4 s SER 107 Cb -0.11 -0.96 -0.04 0.00 0.10 0.00 0.00 66.02 65.02 3ag4 s SER 107 CO 0.02 0.18 -0.22 -0.31 0.98 0.00 0.00 173.24 173.89 3ag4 s TYR 108 N -1.24 1.90 -0.04 5.02 2.02 -0.31 -0.32 117.35 124.38 3ag4 s TYR 108 Ca 0.23 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.50 3ag4 s TYR 108 Cb -0.11 -1.03 0.03 0.00 -0.40 0.00 0.00 41.96 40.45 3ag4 s TYR 108 CO 0.15 0.24 0.08 -1.21 -1.57 0.00 0.00 175.55 173.24 3ag4 s GLU 109 N -1.96 -0.01 -0.37 -0.62 2.02 -0.13 -2.10 118.70 115.53 3ag4 s GLU 109 Ca 0.08 0.34 0.02 0.00 0.02 0.00 0.00 54.97 55.42 3ag4 s GLU 109 Cb -0.10 -0.31 0.11 0.00 0.10 0.00 0.00 34.13 33.94 3ag4 s GLU 109 CO 0.05 -0.23 0.14 0.71 0.02 0.00 0.00 175.26 175.95 3ag4 s TYR 110 N 1.58 2.38 -0.12 1.61 2.02 0.44 -0.75 117.35 124.52 3ag4 s TYR 110 Ca -0.03 -2.35 0.17 0.00 -0.37 0.00 0.00 57.07 54.48 3ag4 s TYR 110 Cb -0.12 -2.14 0.26 0.00 -0.40 0.00 0.00 41.96 39.56 3ag4 s TYR 110 CO -0.04 -0.85 1.13 0.25 -1.57 0.00 0.00 175.55 174.47 3ag4 n THR 111 N 4.17 1.72 -0.22 -0.71 -2.24 -1.26 -1.02 114.28 114.72 3ag4 n THR 111 Ca 0.03 -2.05 0.03 0.00 -2.27 0.00 0.00 64.05 59.78 3ag4 n THR 111 Cb 0.39 -0.16 0.14 0.00 -2.10 0.00 0.00 70.33 68.60 3ag4 n THR 111 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ag4 h ASP 112 N 0.00 0.14 0.00 3.42 3.32 -1.92 -3.43 116.42 117.94 3ag4 h ASP 112 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3ag4 h ASP 112 Cb 1.01 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3ag4 h ASP 112 CO 0.00 0.06 -0.12 -1.22 -1.72 0.00 0.00 179.24 176.24 3ag4 n TYR 113 N -5.07 -1.15 -1.84 4.55 4.01 -1.26 -5.09 117.16 111.32 3ag4 n TYR 113 Ca 0.11 0.20 -0.30 0.00 -0.16 0.00 0.00 57.90 57.76 3ag4 n TYR 113 Cb 0.36 0.36 0.06 0.00 -0.31 0.00 0.00 39.34 39.81 3ag4 n TYR 113 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ag4 s GLU 114 N -2.00 2.56 -1.02 -0.72 0.41 -1.26 -5.01 118.70 111.66 3ag4 s GLU 114 Ca 0.00 0.41 -0.08 0.00 -0.41 0.00 0.00 54.97 54.88 3ag4 s GLU 114 Cb 0.00 -1.99 0.26 0.00 -1.78 0.00 0.00 34.13 30.61 3ag4 s GLU 114 CO 0.00 -1.24 0.99 -0.51 -0.49 0.00 0.00 175.26 174.01 3ag4 s ASP 115 N -4.35 6.96 -0.02 -0.19 -0.00 -1.26 -4.02 116.67 113.78 3ag4 s ASP 115 Ca 0.59 -3.47 -0.21 0.00 -0.00 0.00 0.00 52.55 49.46 3ag4 s ASP 115 Cb -0.11 -2.15 -0.05 0.00 -0.00 0.00 0.00 42.92 40.61 3ag4 s ASP 115 CO 0.52 -0.31 0.62 -0.22 -0.00 0.00 0.00 175.17 175.78 3ag4 s LEU 116 N -1.04 4.39 0.12 1.23 2.96 -0.18 -4.96 118.68 121.19 3ag4 s LEU 116 Ca 0.28 1.16 -0.23 0.00 -0.22 0.00 0.00 54.13 55.13 3ag4 s LEU 116 Cb -0.10 -2.96 0.06 0.00 0.50 0.00 0.00 46.19 43.69 3ag4 s LEU 116 CO -0.09 0.04 0.57 -0.94 -1.32 0.00 0.00 176.35 174.62 3ag4 s SER 117 N 0.08 -0.52 0.05 3.68 1.04 -1.26 -0.42 113.70 116.36 3ag4 s SER 117 Ca 0.33 0.04 -0.28 0.00 0.48 0.00 0.00 55.95 56.52 3ag4 s SER 117 Cb -0.18 0.57 0.09 0.00 0.10 0.00 0.00 66.02 66.60 3ag4 s SER 117 CO 0.17 -0.90 1.00 0.72 0.98 0.00 0.00 173.24 175.22 3ag4 s PHE 118 N -3.39 -0.19 0.23 5.02 -0.12 -0.89 -5.02 117.98 113.62 3ag4 s PHE 118 Ca -0.00 -0.01 0.05 0.00 -0.05 0.00 0.00 56.93 56.92 3ag4 s PHE 118 Cb -0.00 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 3ag4 s PHE 118 CO -0.10 -0.61 0.33 -0.51 -0.05 0.00 0.00 175.22 174.29 3ag4 s ASP 119 N -2.73 6.24 -0.20 1.98 1.01 -1.26 -1.16 116.67 120.55 3ag4 s ASP 119 Ca 0.10 0.05 -0.05 0.00 0.71 0.00 0.00 52.55 53.36 3ag4 s ASP 119 Cb -0.00 -1.82 0.07 0.00 1.01 0.00 0.00 42.92 42.18 3ag4 s ASP 119 CO -0.03 -0.05 0.10 -0.55 0.21 0.00 0.00 175.17 174.85 3ag4 s SER 120 N -3.88 2.60 0.05 0.27 0.15 0.55 -4.43 113.70 109.00 3ag4 s SER 120 Ca 0.34 -0.76 0.07 0.00 0.70 0.00 0.00 55.95 56.30 3ag4 s SER 120 Cb -0.09 -0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 3ag4 s SER 120 CO 0.29 -0.37 -0.15 -0.31 1.20 0.00 0.00 173.24 173.89 3ag4 s TYR 121 N 2.13 2.63 0.31 3.44 2.02 -1.26 -2.51 117.35 124.11 3ag4 s TYR 121 Ca 0.03 -0.21 -0.29 0.00 -0.37 0.00 0.00 57.07 56.23 3ag4 s TYR 121 Cb -0.16 -1.47 -0.12 0.00 -0.40 0.00 0.00 41.96 39.80 3ag4 s TYR 121 CO -0.15 0.30 1.38 -0.12 -1.57 0.00 0.00 175.55 175.39 3ag4 n MET 122 N 1.40 2.23 -2.70 -0.62 0.00 -1.26 -1.19 117.12 114.98 3ag4 n MET 122 Ca -0.16 0.79 -0.43 0.00 -0.00 0.00 0.00 57.70 57.90 3ag4 n MET 122 Cb 0.52 -2.43 -0.02 0.00 0.00 0.00 0.00 33.22 31.29 3ag4 n MET 122 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3ag4 s ILE 123 N -0.66 4.66 0.36 1.12 -1.09 0.10 -4.79 121.20 120.90 3ag4 s ILE 123 Ca 0.60 1.85 -0.28 0.00 -2.23 0.00 0.00 60.65 60.58 3ag4 s ILE 123 Cb -0.57 -4.30 -0.12 0.00 -1.58 0.00 0.00 42.46 35.89 3ag4 s ILE 123 CO 0.57 -0.25 1.41 -2.65 -1.23 0.00 0.00 174.94 172.80 3ag4 n PRO 124 N 6.41 2.44 -0.35 2.79 -0.02 -1.26 -4.61 135.00 140.40 3ag4 n PRO 124 Ca 0.11 0.86 0.22 0.00 -2.02 0.00 0.00 63.50 62.67 3ag4 n PRO 124 Cb 0.47 -2.53 0.46 0.00 -0.02 0.00 0.00 33.50 31.88 3ag4 n PRO 124 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3ag4 h THR 125 N 2.81 0.44 0.00 3.45 2.02 -1.98 0.42 112.91 120.07 3ag4 h THR 125 Ca -0.49 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 3ag4 h THR 125 Cb 1.26 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3ag4 h THR 125 CO 0.64 0.08 -0.01 0.77 0.37 0.00 0.00 175.52 177.37 3ag4 h SER 126 N 0.42 0.00 -0.02 4.18 4.64 -2.03 -3.05 113.55 117.69 3ag4 h SER 126 Ca 0.67 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 3ag4 h SER 126 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 3ag4 h SER 126 CO -0.45 0.01 -0.04 -0.62 -0.87 0.00 0.00 176.83 174.86 3ag4 n GLU 127 N -3.18 0.98 -1.73 4.77 1.02 0.15 -5.01 120.64 117.65 3ag4 n GLU 127 Ca -0.02 -1.19 -0.42 0.00 -0.02 0.00 0.00 57.16 55.50 3ag4 n GLU 127 Cb 0.14 -1.24 -0.01 0.00 -0.02 0.00 0.00 31.44 30.31 3ag4 n GLU 127 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ag4 n LEU 128 N 0.60 4.01 -4.79 -4.62 4.77 -1.06 -4.94 117.00 110.97 3ag4 n LEU 128 Ca 0.07 1.18 -0.36 0.00 -0.03 0.00 0.00 56.01 56.88 3ag4 n LEU 128 Cb 0.32 -1.54 -0.06 0.00 -2.33 0.00 0.00 43.42 39.81 3ag4 n LEU 128 CO 0.09 -0.13 0.68 -0.54 -1.33 0.00 0.00 177.39 176.17 3ag4 s LYS 129 N -1.16 4.31 0.51 3.23 1.02 -1.26 -4.97 119.74 121.42 3ag4 s LYS 129 Ca 0.60 1.34 -0.23 0.00 0.02 0.00 0.00 55.97 57.70 3ag4 s LYS 129 Cb -0.54 -2.51 -0.06 0.00 -0.52 0.00 0.00 37.83 34.20 3ag4 s LYS 129 CO 0.55 0.02 1.36 -2.14 -0.92 0.00 0.00 175.35 174.22 3ag4 s PRO 130 N -2.56 3.35 0.00 -1.68 0.02 -1.26 -1.28 135.00 131.59 3ag4 s PRO 130 Ca 0.57 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.84 3ag4 s PRO 130 Cb -0.17 -2.39 0.00 0.00 0.02 0.00 0.00 34.50 31.96 3ag4 s PRO 130 CO 0.22 -1.03 0.00 0.41 -0.33 0.00 0.00 177.00 176.27 3ag4 n GLY 131 N 0.67 2.79 3.87 0.52 0.00 -1.26 -5.04 105.19 106.74 3ag4 n GLY 131 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3ag4 n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ag4 s GLU 132 N -0.39 3.65 -0.27 1.61 2.02 -0.41 -5.02 118.70 119.89 3ag4 s GLU 132 Ca 0.00 0.72 -0.12 0.00 0.02 0.00 0.00 54.97 55.59 3ag4 s GLU 132 Cb 0.00 -2.12 -0.05 0.00 0.10 0.00 0.00 34.13 32.06 3ag4 s GLU 132 CO 0.00 -0.48 0.22 -0.51 0.02 0.00 0.00 175.26 174.50 3ag4 s LEU 133 N -4.96 4.04 0.14 1.80 1.43 -1.26 -4.92 118.68 114.94 3ag4 s LEU 133 Ca 0.55 0.05 -0.34 0.00 -1.03 0.00 0.00 54.13 53.36 3ag4 s LEU 133 Cb -0.11 -2.17 -0.13 0.00 0.03 0.00 0.00 46.19 43.81 3ag4 s LEU 133 CO 0.50 -0.06 1.62 -1.14 0.23 0.00 0.00 176.35 177.50 3ag4 n ARG 134 N 5.00 2.19 -0.44 1.70 0.63 -1.26 -2.30 116.66 122.19 3ag4 n ARG 134 Ca -0.13 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 3ag4 n ARG 134 Cb 0.52 -2.58 0.00 0.00 0.45 0.00 0.00 32.46 30.85 3ag4 n ARG 134 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3ag4 n LEU 135 N 3.83 0.05 -0.03 6.15 4.77 -1.26 -4.72 117.00 125.78 3ag4 n LEU 135 Ca 0.18 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.11 3ag4 n LEU 135 Cb 0.29 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 3ag4 n LEU 135 CO 0.64 -0.02 -0.71 0.18 -1.33 0.00 0.00 177.39 176.15 3ag4 n LEU 136 N 0.00 1.89 -4.77 2.23 4.77 -0.97 -4.54 117.00 115.61 3ag4 n LEU 136 Ca 0.00 -0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.60 3ag4 n LEU 136 Cb 0.00 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.00 3ag4 n LEU 136 CO 0.00 0.44 0.80 -1.61 -1.33 0.00 0.00 177.39 175.69 3ag4 s GLU 137 N -2.14 3.19 0.30 3.23 0.41 -1.05 -4.68 118.70 117.96 3ag4 s GLU 137 Ca -0.07 1.69 0.11 0.00 -0.41 0.00 0.00 54.97 56.28 3ag4 s GLU 137 Cb 0.02 -1.97 -0.06 0.00 -1.78 0.00 0.00 34.13 30.34 3ag4 s GLU 137 CO 0.18 -1.00 -0.15 0.14 -0.49 0.00 0.00 175.26 173.95 3ag4 s VAL 138 N -1.72 2.31 0.06 2.63 -7.23 -1.26 0.02 120.40 115.21 3ag4 s VAL 138 Ca 0.74 -2.31 -0.20 0.00 -1.81 0.00 0.00 61.98 58.41 3ag4 s VAL 138 Cb -0.26 -2.43 -0.11 0.00 0.56 0.00 0.00 36.38 34.14 3ag4 s VAL 138 CO 0.30 -0.33 1.45 -2.24 -0.31 0.00 0.00 175.10 173.97 3ag4 h ASP 139 N 2.19 0.38 -3.73 4.85 -0.00 -1.46 -3.42 116.42 115.23 3ag4 h ASP 139 Ca -0.41 -0.37 -0.67 0.00 -0.00 0.00 0.00 57.03 55.58 3ag4 h ASP 139 Cb 1.25 -0.10 -0.35 0.00 -0.00 0.00 0.00 39.33 40.13 3ag4 h ASP 139 CO 0.64 0.66 -0.77 0.20 -0.00 0.00 0.00 179.24 179.98 3ag4 s ASN 140 N -5.98 4.45 0.69 4.15 0.01 -1.26 -5.01 114.94 111.99 3ag4 s ASN 140 Ca -0.14 -1.23 -0.11 0.00 -0.71 0.00 0.00 52.86 50.67 3ag4 s ASN 140 Cb 0.06 -1.60 0.01 0.00 0.41 0.00 0.00 41.25 40.12 3ag4 s ASN 140 CO 0.74 -0.19 1.07 -0.13 -1.51 0.00 0.00 177.10 177.09 3ag4 s ARG 141 N 1.19 2.97 -0.73 -0.60 0.52 -1.26 -4.63 118.95 116.41 3ag4 s ARG 141 Ca -0.06 0.67 -0.18 0.00 -0.52 0.00 0.00 55.73 55.64 3ag4 s ARG 141 Cb -0.19 -2.02 0.13 0.00 0.52 0.00 0.00 34.95 33.40 3ag4 s ARG 141 CO -0.04 -1.00 0.84 0.08 0.02 0.00 0.00 175.30 175.20 3ag4 s VAL 142 N -3.21 4.93 -0.01 3.52 1.01 0.90 -4.89 120.40 122.64 3ag4 s VAL 142 Ca 0.58 -1.41 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 3ag4 s VAL 142 Cb -0.12 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 3ag4 s VAL 142 CO 0.53 -1.23 1.27 -0.69 0.00 0.00 0.00 175.10 174.98 3ag4 s VAL 143 N 2.26 4.03 0.03 2.92 1.01 -1.26 0.10 120.40 129.49 3ag4 s VAL 143 Ca 0.19 1.40 -0.08 0.00 0.00 0.00 0.00 61.98 63.49 3ag4 s VAL 143 Cb -0.16 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 3ag4 s VAL 143 CO -0.01 0.02 0.15 -0.76 0.00 0.00 0.00 175.10 174.50 3ag4 s LEU 144 N 2.05 1.55 0.06 3.92 1.43 0.95 -4.90 118.68 123.74 3ag4 s LEU 144 Ca 0.59 -0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 3ag4 s LEU 144 Cb -0.28 0.77 -0.05 0.00 0.03 0.00 0.00 46.19 46.67 3ag4 s LEU 144 CO 0.25 -0.49 1.04 -2.16 0.23 0.00 0.00 176.35 175.22 3ag4 s PRO 145 N -2.28 4.56 0.67 1.29 0.04 -1.26 -0.99 135.00 137.04 3ag4 s PRO 145 Ca -0.08 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 3ag4 s PRO 145 Cb -0.03 -3.40 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 3ag4 s PRO 145 CO -0.03 -0.04 1.05 0.00 0.04 0.00 0.00 177.00 178.03 3ag4 s MET 146 N 0.67 3.17 -1.43 4.56 0.23 0.73 -3.91 119.30 123.32 3ag4 s MET 146 Ca 0.52 0.89 0.00 0.00 -1.03 0.00 0.00 55.69 56.07 3ag4 s MET 146 Cb -0.24 -2.02 0.00 0.00 -1.53 0.00 0.00 34.83 31.03 3ag4 s MET 146 CO 0.29 -0.91 0.00 0.39 -2.03 0.00 0.00 175.02 172.76 3ag4 n GLU 147 N -2.99 -1.28 -4.15 3.16 1.02 0.33 -4.70 120.64 112.03 3ag4 n GLU 147 Ca 0.07 0.82 -0.15 0.00 -0.02 0.00 0.00 57.16 57.88 3ag4 n GLU 147 Cb 0.54 -5.20 -0.13 0.00 -0.02 0.00 0.00 31.44 26.63 3ag4 n GLU 147 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3ag4 s MET 148 N -4.66 0.57 -0.39 3.49 -1.94 -1.25 -5.00 119.30 110.12 3ag4 s MET 148 Ca 0.00 -0.55 -0.29 0.00 -1.71 0.00 0.00 55.69 53.14 3ag4 s MET 148 Cb 0.00 -0.46 0.01 0.00 2.01 0.00 0.00 34.83 36.39 3ag4 s MET 148 CO 0.00 0.11 1.33 0.99 -0.01 0.00 0.00 175.02 177.43 3ag4 s THR 149 N -0.82 4.03 -0.11 2.05 2.01 -1.26 -4.38 115.64 117.15 3ag4 s THR 149 Ca -0.03 1.09 -0.02 0.00 0.31 0.00 0.00 61.69 63.03 3ag4 s THR 149 Cb -0.07 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.14 3ag4 s THR 149 CO 0.00 -0.73 -0.01 -0.63 -0.69 0.00 0.00 174.62 172.56 3ag4 s ILE 150 N 4.95 4.16 -0.23 1.82 1.01 -0.29 -1.12 121.20 131.49 3ag4 s ILE 150 Ca 0.57 -0.29 -0.22 0.00 0.00 0.00 0.00 60.65 60.72 3ag4 s ILE 150 Cb -0.13 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 3ag4 s ILE 150 CO 0.30 0.56 0.68 -0.60 0.00 0.00 0.00 174.94 175.88 3ag4 s ARG 151 N -0.43 4.17 -0.17 2.79 3.52 -0.00 -0.82 118.95 128.00 3ag4 s ARG 151 Ca 0.07 0.67 -0.09 0.00 -0.13 0.00 0.00 55.73 56.26 3ag4 s ARG 151 Cb -0.12 -3.62 -0.05 0.00 -1.56 0.00 0.00 34.95 29.60 3ag4 s ARG 151 CO 0.02 -0.38 0.13 -1.64 -0.81 0.00 0.00 175.30 172.62 3ag4 s MET 152 N 2.37 3.95 -0.11 5.12 -1.94 -0.07 -1.48 119.30 127.15 3ag4 s MET 152 Ca 0.29 -0.21 -0.01 0.00 -1.71 0.00 0.00 55.69 54.06 3ag4 s MET 152 Cb -0.16 -3.33 -0.02 0.00 2.01 0.00 0.00 34.83 33.33 3ag4 s MET 152 CO 0.09 0.44 -0.09 -0.51 -0.01 0.00 0.00 175.02 174.94 3ag4 s LEU 153 N -0.05 2.99 -0.07 -0.03 1.43 0.19 -1.09 118.68 122.05 3ag4 s LEU 153 Ca 0.10 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.07 3ag4 s LEU 153 Cb -0.11 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 3ag4 s LEU 153 CO -0.00 0.24 -0.22 -0.69 0.23 0.00 0.00 176.35 175.90 3ag4 s VAL 154 N -0.06 1.87 0.00 -1.59 1.01 0.13 -0.59 120.40 121.17 3ag4 s VAL 154 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3ag4 s VAL 154 Cb -0.14 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.64 3ag4 s VAL 154 CO 0.03 0.52 0.00 -0.24 0.00 0.00 0.00 175.10 175.41 3ag4 n SER 155 N 3.27 0.00 -3.83 3.32 2.88 -0.54 -1.89 113.62 116.84 3ag4 n SER 155 Ca -0.19 -0.65 -0.11 0.00 -1.33 0.00 0.00 58.87 56.59 3ag4 n SER 155 Cb 0.52 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.90 3ag4 n SER 155 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3ag4 s SER 156 N -0.08 -0.03 0.00 -3.46 0.15 -1.25 -0.08 113.70 108.95 3ag4 s SER 156 Ca 0.00 -0.20 0.11 0.00 0.70 0.00 0.00 55.95 56.56 3ag4 s SER 156 Cb 0.00 0.28 0.19 0.00 -1.71 0.00 0.00 66.02 64.78 3ag4 s SER 156 CO 0.00 -0.48 1.05 -0.62 1.20 0.00 0.00 173.24 174.38 3ag4 n GLU 157 N 1.03 1.65 0.00 5.44 1.02 -0.77 -4.02 120.64 124.99 3ag4 n GLU 157 Ca -0.21 -1.59 0.00 0.00 -0.02 0.00 0.00 57.16 55.34 3ag4 n GLU 157 Cb 0.57 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 3ag4 n GLU 157 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ag4 n ASP 158 N 0.59 0.00 -3.38 1.62 5.68 -1.26 -5.07 116.55 114.73 3ag4 n ASP 158 Ca 0.09 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.25 3ag4 n ASP 158 Cb 0.35 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.40 3ag4 n ASP 158 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3ag4 n VAL 159 N 0.00 0.00 -2.49 2.12 0.24 -1.26 -4.58 118.33 112.36 3ag4 n VAL 159 Ca 0.00 -0.84 -0.39 0.00 -2.04 0.00 0.00 64.34 61.07 3ag4 n VAL 159 Cb 0.00 -1.16 -0.04 0.00 -1.47 0.00 0.00 33.84 31.17 3ag4 n VAL 159 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ag4 s LEU 160 N 0.00 4.41 0.00 1.34 1.43 -1.26 -4.52 118.68 120.08 3ag4 s LEU 160 Ca 0.37 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 3ag4 s LEU 160 Cb -0.02 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.38 3ag4 s LEU 160 CO 0.25 -0.27 0.00 1.41 0.23 0.00 0.00 176.35 177.97 3ag4 n HIS 161 N 0.75 0.00 -3.68 0.29 8.25 -0.37 -4.34 115.22 116.12 3ag4 n HIS 161 Ca 0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.38 3ag4 n HIS 161 Cb 0.46 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.48 3ag4 n HIS 161 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3ag4 s SER 162 N -0.83 -0.62 -0.32 0.41 0.15 -1.26 0.35 113.70 111.57 3ag4 s SER 162 Ca 0.00 1.06 -0.14 0.00 0.70 0.00 0.00 55.95 57.57 3ag4 s SER 162 Cb 0.00 0.95 -0.02 0.00 -1.71 0.00 0.00 66.02 65.23 3ag4 s SER 162 CO 0.00 -0.21 0.30 0.86 1.20 0.00 0.00 173.24 175.39 3ag4 s TRP 163 N 1.50 3.22 -0.01 3.44 -0.00 0.50 -1.29 118.94 126.30 3ag4 s TRP 163 Ca -0.09 -0.00 0.02 0.00 -0.00 0.00 0.00 56.10 56.03 3ag4 s TRP 163 Cb -0.08 -2.55 -0.00 0.00 -0.00 0.00 0.00 33.47 30.84 3ag4 s TRP 163 CO -0.15 -0.34 -0.07 0.00 -0.00 0.00 0.00 176.95 176.39 3ag4 s ALA 164 N 1.89 0.61 -0.31 5.86 0.00 -1.26 -1.34 121.76 127.21 3ag4 s ALA 164 Ca 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.74 3ag4 s ALA 164 Cb -0.17 -0.17 0.11 0.00 0.00 0.00 0.00 23.12 22.89 3ag4 s ALA 164 CO 0.11 0.14 0.14 0.08 0.00 0.00 0.00 175.76 176.23 3ag4 s VAL 165 N -0.09 0.24 0.15 0.00 1.01 -0.49 -3.52 120.40 117.70 3ag4 s VAL 165 Ca 0.02 -1.17 -0.17 0.00 0.00 0.00 0.00 61.98 60.65 3ag4 s VAL 165 Cb -0.04 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.15 3ag4 s VAL 165 CO -0.00 -0.78 1.73 -0.65 0.00 0.00 0.00 175.10 175.40 3ag4 h PRO 166 N 7.98 0.18 -1.01 2.72 0.11 -1.74 -1.87 132.00 138.37 3ag4 h PRO 166 Ca -0.13 -0.01 0.29 0.00 0.11 0.00 0.00 66.00 66.27 3ag4 h PRO 166 Cb 1.00 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 3ag4 h PRO 166 CO 0.41 0.12 0.73 0.77 -0.21 0.00 0.00 178.00 179.82 3ag4 h SER 167 N 0.19 0.01 -0.02 -2.05 0.02 -1.85 0.19 113.55 110.04 3ag4 h SER 167 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3ag4 h SER 167 Cb 0.16 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3ag4 h SER 167 CO -0.19 0.00 -0.07 0.18 -1.14 0.00 0.00 176.83 175.61 3ag4 n LEU 168 N -4.24 2.77 -2.05 5.07 4.77 -0.78 -0.31 117.00 122.24 3ag4 n LEU 168 Ca 0.21 -0.94 -0.15 0.00 -0.03 0.00 0.00 56.01 55.11 3ag4 n LEU 168 Cb 1.07 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.19 3ag4 n LEU 168 CO 0.39 0.47 -0.01 0.61 -1.33 0.00 0.00 177.39 177.53 3ag4 n GLY 169 N 1.35 -0.11 3.58 -0.72 0.00 0.67 -4.42 105.19 105.55 3ag4 n GLY 169 Ca 0.13 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3ag4 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag4 s LEU 170 N -4.54 3.11 -0.30 0.99 1.43 -0.78 -4.96 118.68 113.64 3ag4 s LEU 170 Ca 0.19 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 3ag4 s LEU 170 Cb -0.08 -1.81 0.18 0.00 0.03 0.00 0.00 46.19 44.50 3ag4 s LEU 170 CO 0.24 0.26 0.94 -0.75 0.23 0.00 0.00 176.35 177.27 3ag4 s LYS 171 N -1.58 0.30 -0.04 1.70 2.20 -1.24 -1.39 119.74 119.69 3ag4 s LYS 171 Ca 0.18 0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 56.37 3ag4 s LYS 171 Cb -0.11 0.34 0.03 0.00 -1.51 0.00 0.00 37.83 36.58 3ag4 s LYS 171 CO 0.09 -0.26 0.05 0.99 -0.36 0.00 0.00 175.35 175.86 3ag4 s THR 172 N 2.79 -0.07 0.69 3.43 2.01 -0.45 -4.94 115.64 119.09 3ag4 s THR 172 Ca 0.03 0.37 -0.14 0.00 0.31 0.00 0.00 61.69 62.26 3ag4 s THR 172 Cb -0.10 -0.16 0.02 0.00 0.01 0.00 0.00 72.50 72.27 3ag4 s THR 172 CO -0.15 0.17 1.12 -1.81 -0.69 0.00 0.00 174.62 173.26 3ag4 s ASP 173 N 1.94 4.87 -0.31 3.53 1.01 -1.26 -0.37 116.67 126.08 3ag4 s ASP 173 Ca 0.02 2.03 0.03 0.00 0.71 0.00 0.00 52.55 55.34 3ag4 s ASP 173 Cb -0.12 -2.55 0.09 0.00 1.01 0.00 0.00 42.92 41.34 3ag4 s ASP 173 CO -0.03 -1.79 0.01 0.00 0.21 0.00 0.00 175.17 173.56 3ag4 s ALA 174 N -2.37 2.58 -0.10 5.23 0.00 0.15 -4.78 121.76 122.48 3ag4 s ALA 174 Ca 0.67 -2.14 0.04 0.00 0.00 0.00 0.00 51.96 50.53 3ag4 s ALA 174 Cb -0.21 -1.79 -0.00 0.00 0.00 0.00 0.00 23.12 21.12 3ag4 s ALA 174 CO 0.44 -1.52 -0.23 0.42 0.00 0.00 0.00 175.76 174.88 3ag4 s ILE 175 N 1.07 2.21 0.63 0.00 1.01 -1.26 -1.24 121.20 123.62 3ag4 s ILE 175 Ca 0.04 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.54 3ag4 s ILE 175 Cb -0.19 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 3ag4 s ILE 175 CO -0.09 0.56 1.24 -2.16 0.00 0.00 0.00 174.94 174.49 3ag4 s PRO 176 N 0.23 2.70 0.00 2.79 0.04 -1.26 -2.32 135.00 137.19 3ag4 s PRO 176 Ca -0.15 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.81 3ag4 s PRO 176 Cb -0.17 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.49 3ag4 s PRO 176 CO 0.07 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.09 3ag4 n GLY 177 N 0.65 0.49 3.18 0.56 0.00 -1.26 -4.95 105.19 103.87 3ag4 n GLY 177 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 3ag4 n GLY 177 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ag4 s ARG 178 N -0.55 0.86 -0.31 1.61 3.52 -0.98 -5.13 118.95 117.96 3ag4 s ARG 178 Ca 0.00 -1.05 0.03 0.00 -0.13 0.00 0.00 55.73 54.57 3ag4 s ARG 178 Cb 0.00 -0.75 0.09 0.00 -1.56 0.00 0.00 34.95 32.73 3ag4 s ARG 178 CO 0.00 0.15 0.03 -1.17 -0.81 0.00 0.00 175.30 173.50 3ag4 s LEU 179 N -2.05 3.95 -0.00 -0.88 2.96 -1.26 -4.45 118.68 116.95 3ag4 s LEU 179 Ca 0.02 -1.88 -0.07 0.00 -0.22 0.00 0.00 54.13 51.98 3ag4 s LEU 179 Cb -0.07 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.13 3ag4 s LEU 179 CO 0.02 -0.35 0.26 0.20 -1.32 0.00 0.00 176.35 175.15 3ag4 s ASN 180 N 1.10 6.49 -0.11 3.68 0.01 -0.79 -4.83 114.94 120.48 3ag4 s ASN 180 Ca 0.07 0.55 0.02 0.00 -0.71 0.00 0.00 52.86 52.79 3ag4 s ASN 180 Cb -0.19 -2.09 -0.01 0.00 0.41 0.00 0.00 41.25 39.38 3ag4 s ASN 180 CO -0.11 0.27 -0.18 -1.58 -1.51 0.00 0.00 177.10 173.99 3ag4 s GLN 181 N -1.69 3.22 0.32 -0.60 0.74 -1.26 0.20 119.66 120.59 3ag4 s GLN 181 Ca 0.26 -0.78 0.03 0.00 0.05 0.00 0.00 55.36 54.93 3ag4 s GLN 181 Cb -0.13 -2.47 -0.05 0.00 1.10 0.00 0.00 33.01 31.46 3ag4 s GLN 181 CO 0.15 0.20 0.11 -0.08 -0.55 0.00 0.00 175.29 175.12 3ag4 s THR 182 N 0.33 0.68 0.18 -0.34 -1.32 -0.25 -5.00 115.64 109.92 3ag4 s THR 182 Ca -0.14 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.44 3ag4 s THR 182 Cb -0.17 -2.59 -0.04 0.00 -1.51 0.00 0.00 72.50 68.19 3ag4 s THR 182 CO 0.07 0.00 -0.22 0.42 -2.21 0.00 0.00 174.62 172.69 3ag4 s THR 183 N -3.49 2.11 -0.03 5.08 -4.23 -1.26 -0.89 115.64 112.94 3ag4 s THR 183 Ca 0.34 -1.96 0.03 0.00 -1.18 0.00 0.00 61.69 58.92 3ag4 s THR 183 Cb 0.06 -1.98 -0.00 0.00 1.34 0.00 0.00 72.50 71.92 3ag4 s THR 183 CO 0.15 -0.19 -0.11 -0.22 -0.54 0.00 0.00 174.62 173.71 3ag4 s LEU 184 N -2.62 1.86 -0.17 4.79 0.20 -0.00 -4.93 118.68 117.80 3ag4 s LEU 184 Ca 0.18 -0.23 -0.04 0.00 0.69 0.00 0.00 54.13 54.73 3ag4 s LEU 184 Cb -0.07 -0.65 0.08 0.00 -0.43 0.00 0.00 46.19 45.12 3ag4 s LEU 184 CO 0.08 0.10 0.26 -0.32 -0.29 0.00 0.00 176.35 176.19 3ag4 s MET 185 N 0.06 0.19 -0.25 1.98 1.75 -1.26 -1.14 119.30 120.63 3ag4 s MET 185 Ca -0.02 0.53 -0.11 0.00 -1.25 0.00 0.00 55.69 54.84 3ag4 s MET 185 Cb -0.08 -0.51 -0.05 0.00 2.84 0.00 0.00 34.83 37.03 3ag4 s MET 185 CO 0.01 -0.46 0.18 0.45 -0.65 0.00 0.00 175.02 174.54 3ag4 s SER 186 N 2.41 6.11 0.33 1.11 0.15 -1.26 -4.20 113.70 118.35 3ag4 s SER 186 Ca 0.05 0.11 0.26 0.00 0.70 0.00 0.00 55.95 57.07 3ag4 s SER 186 Cb -0.14 -2.12 1.10 0.00 -1.71 0.00 0.00 66.02 63.16 3ag4 s SER 186 CO -0.11 0.03 1.78 0.28 1.20 0.00 0.00 173.24 176.42 3ag4 h SER 187 N 7.71 0.00 -4.95 5.45 0.02 -1.79 0.95 113.55 120.94 3ag4 h SER 187 Ca -0.37 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.39 3ag4 h SER 187 Cb 1.17 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.52 3ag4 h SER 187 CO 0.64 0.00 -0.70 -0.13 -1.14 0.00 0.00 176.83 175.49 3ag4 s ARG 188 N -3.42 0.45 0.90 3.45 0.52 -1.26 -4.82 118.95 114.77 3ag4 s ARG 188 Ca 0.03 -0.80 -0.12 0.00 -0.52 0.00 0.00 55.73 54.32 3ag4 s ARG 188 Cb 0.09 0.01 0.13 0.00 0.52 0.00 0.00 34.95 35.70 3ag4 s ARG 188 CO 0.42 -0.03 1.13 -1.25 0.02 0.00 0.00 175.30 175.58 3ag4 s PRO 189 N -2.06 1.22 0.00 3.54 0.04 -1.26 -4.85 135.00 131.63 3ag4 s PRO 189 Ca -0.09 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.32 3ag4 s PRO 189 Cb -0.06 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3ag4 s PRO 189 CO -0.02 -2.16 0.00 0.41 0.04 0.00 0.00 177.00 175.27 3ag4 n GLY 190 N -2.08 0.79 3.39 0.56 0.00 -0.77 -4.93 105.19 102.15 3ag4 n GLY 190 Ca 0.06 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 3ag4 n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ag4 s LEU 191 N 0.00 3.00 -0.10 0.99 1.43 -1.26 -0.52 118.68 122.22 3ag4 s LEU 191 Ca 0.00 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 3ag4 s LEU 191 Cb 0.00 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.49 3ag4 s LEU 191 CO 0.00 0.07 -0.17 -0.31 0.23 0.00 0.00 176.35 176.17 3ag4 s TYR 192 N 0.94 2.00 0.11 0.29 1.51 -0.48 -4.96 117.35 116.76 3ag4 s TYR 192 Ca -0.00 -0.87 0.05 0.00 -1.01 0.00 0.00 57.07 55.23 3ag4 s TYR 192 Cb -0.15 -1.41 -0.04 0.00 -0.11 0.00 0.00 41.96 40.25 3ag4 s TYR 192 CO 0.01 -0.42 0.04 0.71 -1.11 0.00 0.00 175.55 174.78 3ag4 s TYR 193 N 0.75 3.04 0.23 2.71 2.02 -1.26 -0.12 117.35 124.72 3ag4 s TYR 193 Ca -0.11 -0.02 -0.18 0.00 -0.37 0.00 0.00 57.07 56.39 3ag4 s TYR 193 Cb -0.16 -1.53 0.02 0.00 -0.40 0.00 0.00 41.96 39.90 3ag4 s TYR 193 CO 0.02 0.50 0.59 0.20 -1.57 0.00 0.00 175.55 175.29 3ag4 s GLY 194 N -2.57 0.01 0.09 0.71 0.00 -0.10 -4.16 107.32 101.31 3ag4 s GLY 194 Ca 0.28 -0.35 0.04 0.00 0.00 0.00 0.00 44.72 44.68 3ag4 s GLY 194 CO 0.20 -0.25 -0.10 1.20 0.00 0.00 0.00 173.10 174.15 3ag4 s GLN 195 N -3.91 0.81 0.20 2.90 -0.21 -1.23 0.13 119.66 118.34 3ag4 s GLN 195 Ca 0.12 -1.11 -0.32 0.00 0.02 0.00 0.00 55.36 54.08 3ag4 s GLN 195 Cb -0.03 -0.51 -0.12 0.00 1.00 0.00 0.00 33.01 33.35 3ag4 s GLN 195 CO 0.03 0.08 1.73 0.00 -2.12 0.00 0.00 175.29 175.01 3ag4 n SER 197 N 4.13 1.77 -3.72 0.00 7.64 -0.41 -4.89 113.62 118.14 3ag4 n SER 197 Ca 0.16 -3.67 -0.16 0.00 1.01 0.00 0.00 58.87 56.22 3ag4 n SER 197 Cb 0.35 -0.50 -0.16 0.00 -1.01 0.00 0.00 64.21 62.89 3ag4 n SER 197 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3ag4 s GLU 198 N -3.00 0.02 -0.19 1.43 2.56 -1.26 -4.66 118.70 113.60 3ag4 s GLU 198 Ca 0.36 0.37 -0.34 0.00 0.00 0.00 0.00 54.97 55.36 3ag4 s GLU 198 Cb 0.35 -0.27 -0.11 0.00 2.00 0.00 0.00 34.13 36.10 3ag4 s GLU 198 CO -0.06 -0.22 1.98 1.51 -0.56 0.00 0.00 175.26 177.91 3ag4 n ILE 199 N 4.60 0.44 -1.20 -3.70 3.06 -1.26 -4.56 119.36 116.74 3ag4 n ILE 199 Ca -0.19 -0.18 0.03 0.00 -2.50 0.00 0.00 62.75 59.91 3ag4 n ILE 199 Cb 0.51 -1.83 0.04 0.00 0.54 0.00 0.00 39.64 38.89 3ag4 n ILE 199 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3ag4 n GLY 201 N -0.50 -0.51 0.33 0.00 0.00 -1.26 -4.75 105.19 98.50 3ag4 n GLY 201 Ca 0.05 -2.20 0.23 0.00 0.00 0.00 0.00 46.02 44.10 3ag4 n GLY 201 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ag4 h SER 202 N 0.00 0.49 -0.34 1.61 0.02 -2.03 -2.48 113.55 110.83 3ag4 h SER 202 Ca 0.00 0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 61.03 3ag4 h SER 202 Cb 0.00 0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.62 3ag4 h SER 202 CO 0.00 -0.13 -0.00 0.59 -1.14 0.00 0.00 176.83 176.15 3ag4 n ASN 203 N -5.06 3.21 -0.27 3.07 5.03 -1.26 -4.58 115.26 115.41 3ag4 n ASN 203 Ca 0.31 -3.40 0.08 0.00 0.87 0.00 0.00 54.58 52.44 3ag4 n ASN 203 Cb 0.96 -0.60 0.21 0.00 -1.02 0.00 0.00 39.78 39.33 3ag4 n ASN 203 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 3ag4 h HIS 204 N 1.37 0.25 0.00 3.10 -0.00 -1.74 -0.18 115.15 117.94 3ag4 h HIS 204 Ca 0.14 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.55 3ag4 h HIS 204 Cb 1.62 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 29.04 3ag4 h HIS 204 CO 0.79 -0.15 0.00 0.43 -0.00 0.00 0.00 177.93 179.01 3ag4 n SER 205 N -5.21 0.00 -2.58 3.26 7.64 -1.26 -4.02 113.62 111.45 3ag4 n SER 205 Ca 0.16 -0.37 -0.13 0.00 1.01 0.00 0.00 58.87 59.55 3ag4 n SER 205 Cb 0.53 -0.13 0.03 0.00 -1.01 0.00 0.00 64.21 63.63 3ag4 n SER 205 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3ag4 n PHE 206 N -1.13 1.88 -3.08 1.43 0.99 -0.08 -4.86 117.46 112.61 3ag4 n PHE 206 Ca 0.13 -2.63 -0.19 0.00 -0.00 0.00 0.00 57.45 54.76 3ag4 n PHE 206 Cb 0.11 -0.27 -0.04 0.00 -1.00 0.00 0.00 39.48 38.28 3ag4 n PHE 206 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3ag4 n MET 207 N -0.37 0.68 -1.97 -1.08 0.00 -1.25 -4.55 117.12 108.58 3ag4 n MET 207 Ca 0.20 -2.79 -0.29 0.00 0.00 0.00 0.00 57.70 54.82 3ag4 n MET 207 Cb 0.80 -1.32 0.11 0.00 0.00 0.00 0.00 33.22 32.81 3ag4 n MET 207 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3ag4 s PRO 208 N -0.53 1.61 -0.07 3.17 0.04 -1.26 -3.57 135.00 134.39 3ag4 s PRO 208 Ca 0.34 -0.13 0.04 0.00 0.04 0.00 0.00 61.00 61.29 3ag4 s PRO 208 Cb 0.17 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.75 3ag4 s PRO 208 CO -0.15 -1.78 -0.20 0.42 0.04 0.00 0.00 177.00 175.34 3ag4 s ILE 209 N -3.61 1.69 -0.08 0.56 1.09 0.12 -4.82 121.20 116.15 3ag4 s ILE 209 Ca 0.65 -0.82 -0.01 0.00 -1.10 0.00 0.00 60.65 59.38 3ag4 s ILE 209 Cb -0.09 -1.47 0.03 0.00 -1.06 0.00 0.00 42.46 39.87 3ag4 s ILE 209 CO 0.49 0.48 -0.02 -0.69 -0.10 0.00 0.00 174.94 175.10 3ag4 s VAL 210 N 0.32 0.53 -0.01 2.92 1.01 -1.26 -0.92 120.40 122.98 3ag4 s VAL 210 Ca -0.13 0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 3ag4 s VAL 210 Cb -0.16 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 3ag4 s VAL 210 CO 0.06 0.28 0.24 -0.76 0.00 0.00 0.00 175.10 174.92 3ag4 s LEU 211 N 1.79 4.38 -0.25 3.92 1.43 0.82 -0.07 118.68 130.70 3ag4 s LEU 211 Ca 0.03 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 3ag4 s LEU 211 Cb -0.13 -2.58 0.06 0.00 0.03 0.00 0.00 46.19 43.57 3ag4 s LEU 211 CO -0.05 0.28 -0.08 -0.70 0.23 0.00 0.00 176.35 176.02 3ag4 s GLU 212 N -1.68 1.96 -0.24 1.70 2.12 0.28 -1.38 118.70 121.46 3ag4 s GLU 212 Ca 0.26 -1.20 -0.13 0.00 0.36 0.00 0.00 54.97 54.26 3ag4 s GLU 212 Cb -0.13 -2.76 -0.05 0.00 0.26 0.00 0.00 34.13 31.45 3ag4 s GLU 212 CO 0.15 -0.59 0.26 -0.51 -0.54 0.00 0.00 175.26 174.03 3ag4 s LEU 213 N 1.22 4.09 0.11 2.70 2.01 0.32 -0.04 118.68 129.10 3ag4 s LEU 213 Ca -0.07 0.21 0.01 0.00 0.01 0.00 0.00 54.13 54.29 3ag4 s LEU 213 Cb -0.19 -2.26 -0.04 0.00 0.01 0.00 0.00 46.19 43.70 3ag4 s LEU 213 CO -0.06 -0.04 -0.03 0.68 1.01 0.00 0.00 176.35 177.92 3ag4 s VAL 214 N 1.44 0.52 0.52 -1.59 -7.23 -0.16 -1.84 120.40 112.07 3ag4 s VAL 214 Ca 0.11 -1.92 -0.23 0.00 -1.81 0.00 0.00 61.98 58.14 3ag4 s VAL 214 Cb -0.15 -1.80 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 3ag4 s VAL 214 CO 0.08 -0.75 1.35 -2.65 -0.31 0.00 0.00 175.10 172.82 3ag4 n PRO 215 N -0.07 1.80 -0.25 4.82 -0.02 -1.26 -0.19 135.00 139.83 3ag4 n PRO 215 Ca -0.10 0.66 0.05 0.00 -2.02 0.00 0.00 63.50 62.09 3ag4 n PRO 215 Cb 0.62 -2.55 0.18 0.00 -0.02 0.00 0.00 33.50 31.72 3ag4 n PRO 215 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ag4 h LEU 216 N 1.63 -0.07 -0.66 2.45 5.85 -1.93 -0.58 115.31 122.00 3ag4 h LEU 216 Ca -0.50 0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.47 3ag4 h LEU 216 Cb 1.30 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 42.48 3ag4 h LEU 216 CO 0.58 -0.07 0.29 0.11 -0.34 0.00 0.00 178.44 179.00 3ag4 h LYS 217 N 0.22 0.47 -0.43 1.25 1.79 -1.99 0.28 116.57 118.16 3ag4 h LYS 217 Ca 0.41 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.78 3ag4 h LYS 217 Cb 0.71 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 3ag4 h LYS 217 CO -0.54 0.31 -0.05 1.88 -1.08 0.00 0.00 179.45 179.97 3ag4 h TYR 218 N 0.49 0.79 -0.41 -1.35 0.05 -1.69 -1.57 116.97 113.28 3ag4 h TYR 218 Ca 0.34 -0.12 0.05 0.00 0.05 0.00 0.00 58.73 59.04 3ag4 h TYR 218 Cb 0.40 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.89 3ag4 h TYR 218 CO -0.14 0.77 0.16 0.35 -1.05 0.00 0.00 178.16 178.24 3ag4 h PHE 219 N 0.68 0.29 -0.78 4.88 3.57 0.70 -0.80 116.94 125.48 3ag4 h PHE 219 Ca 0.13 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 3ag4 h PHE 219 Cb 0.50 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 3ag4 h PHE 219 CO 0.02 0.12 0.39 0.93 -2.23 0.00 0.00 178.31 177.55 3ag4 h GLU 220 N 0.33 1.11 -0.01 1.11 5.08 -0.42 0.28 114.58 122.06 3ag4 h GLU 220 Ca 0.19 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3ag4 h GLU 220 Cb 0.16 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3ag4 h GLU 220 CO -0.18 0.85 -0.16 0.87 -1.00 0.00 0.00 179.01 179.40 3ag4 h LYS 221 N 1.09 -0.24 -0.99 2.33 1.57 -1.07 -2.40 116.57 116.86 3ag4 h LYS 221 Ca 0.27 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.11 3ag4 h LYS 221 Cb 0.09 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 3ag4 h LYS 221 CO -0.04 -0.16 0.64 2.35 -0.57 0.00 0.00 179.45 181.67 3ag4 h TRP 222 N -0.25 1.20 -0.20 -1.35 7.01 -0.95 -2.67 115.95 118.74 3ag4 h TRP 222 Ca 0.05 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.10 3ag4 h TRP 222 Cb 0.32 -0.40 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 3ag4 h TRP 222 CO -0.21 0.67 0.08 0.77 -2.79 0.00 0.00 178.44 176.95 3ag4 h SER 223 N 1.21 0.11 -0.00 2.65 0.02 -0.51 -2.39 113.55 114.64 3ag4 h SER 223 Ca 0.40 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 3ag4 h SER 223 Cb 0.06 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 3ag4 h SER 223 CO -0.14 0.09 -0.00 0.00 -1.14 0.00 0.00 176.83 175.64 3ag4 h ALA 224 N 1.12 -0.46 -0.31 3.77 0.00 -1.15 -3.16 119.26 119.07 3ag4 h ALA 224 Ca 0.08 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.08 3ag4 h ALA 224 Cb 0.04 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ag4 h ALA 224 CO -0.08 -0.46 0.51 0.66 0.00 0.00 0.00 179.25 179.89 3ag4 h SER 225 N -0.00 0.00 -0.58 0.00 4.64 -1.41 0.42 113.55 116.61 3ag4 h SER 225 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ag4 h SER 225 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ag4 h SER 225 CO -0.00 0.00 0.00 0.80 -0.87 0.00 0.00 176.83 176.76 3ag4 n MET 226 N -3.32 2.87 0.00 4.77 0.00 -0.91 -5.11 117.12 115.42 3ag4 n MET 226 Ca 0.05 -2.31 0.00 0.00 0.00 0.00 0.00 57.70 55.44 3ag4 n MET 226 Cb 0.65 -1.64 0.00 0.00 0.00 0.00 0.00 33.22 32.23 3ag4 n MET 226 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25