#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 h ILE 3 N 0.00 1.20 -0.67 -2.13 2.04 -2.01 -0.76 117.51 115.17 3ag3 h ILE 3 Ca 0.00 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.15 3ag3 h ILE 3 Cb 0.00 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3ag3 h ILE 3 CO 0.00 0.25 0.18 0.78 0.00 0.00 0.00 178.15 179.36 3ag3 h ASN 4 N 0.72 1.00 -0.04 1.72 2.35 -1.96 0.10 115.58 119.46 3ag3 h ASN 4 Ca 0.17 -0.22 -0.20 0.00 -0.55 0.00 0.00 56.30 55.50 3ag3 h ASN 4 Cb 0.20 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.32 3ag3 h ASN 4 CO -0.01 0.96 -0.74 -0.09 -1.65 0.00 0.00 177.43 175.90 3ag3 h ARG 5 N 0.99 0.57 0.00 0.81 2.43 -1.82 -3.18 114.38 114.17 3ag3 h ARG 5 Ca 0.21 -0.56 -0.10 0.00 -0.81 0.00 0.00 59.98 58.72 3ag3 h ARG 5 Cb 0.34 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 3ag3 h ARG 5 CO -0.00 1.18 -1.80 0.91 -1.51 0.00 0.00 179.97 178.75 3ag3 n TRP 6 N -4.08 0.00 -0.04 2.20 7.02 -0.32 -3.71 117.44 118.52 3ag3 n TRP 6 Ca -0.10 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.40 3ag3 n TRP 6 Cb 0.73 -0.48 -0.12 0.00 -2.42 0.00 0.00 31.31 29.02 3ag3 n TRP 6 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3ag3 n LEU 7 N -2.22 0.00 -1.85 -0.99 4.32 -0.02 -4.60 117.00 111.64 3ag3 n LEU 7 Ca -0.11 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.83 3ag3 n LEU 7 Cb 0.61 0.16 0.29 0.00 -1.62 0.00 0.00 43.42 42.86 3ag3 n LEU 7 CO 0.31 0.16 1.00 0.49 -1.22 0.00 0.00 177.39 178.13 3ag3 n PHE 8 N -2.27 2.26 -1.17 -1.77 3.72 -0.93 -5.04 117.46 112.27 3ag3 n PHE 8 Ca -0.12 -1.26 -0.34 0.00 -0.05 0.00 0.00 57.45 55.68 3ag3 n PHE 8 Cb 0.66 -0.66 0.12 0.00 -0.94 0.00 0.00 39.48 38.66 3ag3 n PHE 8 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ag3 n SER 9 N -0.34 0.96 -1.77 4.37 2.88 -1.24 -4.89 113.62 113.59 3ag3 n SER 9 Ca 0.40 0.61 0.03 0.00 -1.33 0.00 0.00 58.87 58.58 3ag3 n SER 9 Cb 1.34 -1.49 0.02 0.00 -0.75 0.00 0.00 64.21 63.33 3ag3 n SER 9 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3ag3 n THR 10 N -3.13 0.26 -4.91 2.46 -2.24 -1.26 -4.62 114.28 100.83 3ag3 n THR 10 Ca 0.13 -1.36 -0.33 0.00 -2.27 0.00 0.00 64.05 60.23 3ag3 n THR 10 Cb 0.50 1.05 -0.16 0.00 -2.10 0.00 0.00 70.33 69.62 3ag3 n THR 10 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ag3 s ASN 11 N -2.33 3.51 0.42 3.42 3.84 -1.26 -4.79 114.94 117.74 3ag3 s ASN 11 Ca 0.32 -0.47 0.12 0.00 0.21 0.00 0.00 52.86 53.03 3ag3 s ASN 11 Cb 0.37 -1.51 0.89 0.00 -0.55 0.00 0.00 41.25 40.45 3ag3 s ASN 11 CO -0.14 0.14 1.96 1.12 -2.79 0.00 0.00 177.10 177.40 3ag3 h HIS 12 N 6.85 0.15 -0.00 0.43 2.07 -1.92 0.10 115.15 122.83 3ag3 h HIS 12 Ca -0.24 -0.01 -0.13 0.00 -2.85 0.00 0.00 60.37 57.13 3ag3 h HIS 12 Cb 1.22 -0.04 0.01 0.00 2.57 0.00 0.00 27.41 31.17 3ag3 h HIS 12 CO 0.49 0.28 -0.51 0.87 -3.07 0.00 0.00 177.93 175.98 3ag3 h LYS 13 N 0.14 0.35 -0.18 5.12 1.57 -1.90 -1.16 116.57 120.51 3ag3 h LYS 13 Ca 0.03 -0.37 -0.13 0.00 -1.87 0.00 0.00 60.65 58.31 3ag3 h LYS 13 Cb 0.32 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3ag3 h LYS 13 CO 0.02 1.06 -0.43 -0.44 -0.57 0.00 0.00 179.45 179.08 3ag3 h ASP 14 N -0.20 0.47 -0.29 0.86 3.45 -1.90 0.10 116.42 118.91 3ag3 h ASP 14 Ca -0.06 -0.21 -0.01 0.00 0.43 0.00 0.00 57.03 57.17 3ag3 h ASP 14 Cb 1.23 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.86 3ag3 h ASP 14 CO 0.10 0.85 0.15 0.40 -1.57 0.00 0.00 179.24 179.17 3ag3 h ILE 15 N 0.36 1.14 -0.82 0.35 2.04 -0.83 -1.04 117.51 118.71 3ag3 h ILE 15 Ca 0.03 -0.38 0.09 0.00 1.00 0.00 0.00 64.86 65.60 3ag3 h ILE 15 Cb 0.91 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 3ag3 h ILE 15 CO 0.08 0.14 0.53 1.23 0.00 0.00 0.00 178.15 180.13 3ag3 h GLY 16 N 0.35 1.12 0.96 5.37 0.00 -0.76 -1.25 103.07 108.86 3ag3 h GLY 16 Ca 0.10 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3ag3 h GLY 16 CO -0.01 0.20 -0.09 -0.84 0.00 0.00 0.00 176.54 175.80 3ag3 h THR 17 N 0.80 1.28 -0.66 4.70 2.02 -0.53 -0.35 112.91 120.17 3ag3 h THR 17 Ca 0.37 -1.17 0.11 0.00 0.77 0.00 0.00 66.41 66.50 3ag3 h THR 17 Cb 0.39 1.25 -0.08 0.00 -1.74 0.00 0.00 68.15 67.97 3ag3 h THR 17 CO -0.15 0.39 0.25 -0.07 0.37 0.00 0.00 175.52 176.31 3ag3 h LEU 18 N 0.53 0.24 -0.68 2.58 3.38 -0.81 -1.17 115.31 119.38 3ag3 h LEU 18 Ca 0.10 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3ag3 h LEU 18 Cb 0.60 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3ag3 h LEU 18 CO 0.04 0.12 -0.28 1.88 0.09 0.00 0.00 178.44 180.29 3ag3 h TYR 19 N 0.42 0.82 -0.74 1.13 0.05 -0.93 -0.76 116.97 116.96 3ag3 h TYR 19 Ca 0.34 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 3ag3 h TYR 19 Cb 0.46 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 3ag3 h TYR 19 CO -0.17 0.91 0.39 -0.07 -1.05 0.00 0.00 178.16 178.17 3ag3 h LEU 20 N 0.61 0.94 -0.23 3.88 3.38 -0.69 0.12 115.31 123.32 3ag3 h LEU 20 Ca 0.08 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3ag3 h LEU 20 Cb 0.79 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3ag3 h LEU 20 CO 0.07 0.78 -0.15 -0.07 0.09 0.00 0.00 178.44 179.15 3ag3 h LEU 21 N 1.02 0.54 -0.18 1.67 3.38 -0.98 -0.07 115.31 120.70 3ag3 h LEU 21 Ca 0.26 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3ag3 h LEU 21 Cb 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3ag3 h LEU 21 CO -0.04 0.86 0.02 0.15 0.09 0.00 0.00 178.44 179.52 3ag3 h PHE 22 N 0.22 0.04 -0.18 1.13 3.57 -1.03 -1.40 116.94 119.29 3ag3 h PHE 22 Ca 0.05 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 3ag3 h PHE 22 Cb 0.67 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3ag3 h PHE 22 CO 0.07 0.01 -0.25 0.78 -2.23 0.00 0.00 178.31 176.68 3ag3 h GLY 23 N 0.09 0.36 1.23 2.40 0.00 -0.86 0.33 103.07 106.62 3ag3 h GLY 23 Ca 0.08 -0.28 -0.15 0.00 0.00 0.00 0.00 47.33 46.98 3ag3 h GLY 23 CO -0.11 0.26 -0.35 0.00 0.00 0.00 0.00 176.54 176.33 3ag3 h ALA 24 N 1.44 0.68 -0.10 3.60 0.00 -0.83 0.13 119.26 124.17 3ag3 h ALA 24 Ca 0.05 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3ag3 h ALA 24 Cb 0.61 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ag3 h ALA 24 CO 0.04 0.67 0.05 2.35 0.00 0.00 0.00 179.25 182.36 3ag3 h TRP 25 N 0.71 0.15 -0.89 0.00 7.01 -0.98 -2.46 115.95 119.48 3ag3 h TRP 25 Ca 0.07 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.16 3ag3 h TRP 25 Cb 0.92 -0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 27.86 3ag3 h TRP 25 CO 0.05 0.20 0.53 0.00 -2.79 0.00 0.00 178.44 176.44 3ag3 h ALA 26 N 0.93 1.28 -0.55 2.65 0.00 -0.85 0.05 119.26 122.77 3ag3 h ALA 26 Ca 0.04 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.04 3ag3 h ALA 26 Cb 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3ag3 h ALA 26 CO -0.00 0.17 0.37 0.78 0.00 0.00 0.00 179.25 180.57 3ag3 h GLY 27 N 0.89 0.58 1.21 0.00 0.00 -0.36 0.15 103.07 105.55 3ag3 h GLY 27 Ca 0.42 -0.18 -0.20 0.00 0.00 0.00 0.00 47.33 47.37 3ag3 h GLY 27 CO -0.24 0.13 -0.65 -0.33 0.00 0.00 0.00 176.54 175.45 3ag3 h MET 28 N 0.45 0.80 -0.11 4.80 2.07 -0.56 0.75 114.93 123.13 3ag3 h MET 28 Ca 0.25 -0.57 0.02 0.00 -2.07 0.00 0.00 59.70 57.33 3ag3 h MET 28 Cb 0.39 0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.19 3ag3 h MET 28 CO -0.07 1.19 -0.02 0.28 1.07 0.00 0.00 176.91 179.37 3ag3 h VAL 29 N 0.59 0.90 -0.63 -2.22 2.07 -0.74 -0.77 116.25 115.45 3ag3 h VAL 29 Ca -0.01 -0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 3ag3 h VAL 29 Cb 1.26 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3ag3 h VAL 29 CO 0.14 0.00 0.11 1.23 0.02 0.00 0.00 177.57 179.07 3ag3 h GLY 30 N 0.01 1.09 0.80 2.17 0.00 -0.65 -1.44 103.07 105.06 3ag3 h GLY 30 Ca 0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 3ag3 h GLY 30 CO -0.11 0.65 -0.02 -0.84 0.00 0.00 0.00 176.54 176.23 3ag3 h THR 31 N 0.96 1.27 -0.93 4.70 2.02 -0.60 -1.47 112.91 118.85 3ag3 h THR 31 Ca 0.19 -0.92 0.11 0.00 0.77 0.00 0.00 66.41 66.57 3ag3 h THR 31 Cb 0.40 1.51 -0.08 0.00 -1.74 0.00 0.00 68.15 68.24 3ag3 h THR 31 CO 0.01 0.28 0.57 0.00 0.37 0.00 0.00 175.52 176.74 3ag3 h ALA 32 N 0.76 1.39 -0.42 6.16 0.00 -0.92 -0.51 119.26 125.72 3ag3 h ALA 32 Ca 0.05 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3ag3 h ALA 32 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ag3 h ALA 32 CO 0.01 0.16 0.07 -0.07 0.00 0.00 0.00 179.25 179.42 3ag3 h LEU 33 N 0.90 0.66 -1.62 0.00 3.38 -0.99 -0.87 115.31 116.78 3ag3 h LEU 33 Ca 0.46 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3ag3 h LEU 33 Cb 0.46 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3ag3 h LEU 33 CO -0.27 0.76 -0.15 0.77 0.09 0.00 0.00 178.44 179.64 3ag3 h SER 34 N 0.55 0.05 0.06 -0.43 4.64 -0.15 -2.25 113.55 116.03 3ag3 h SER 34 Ca 0.13 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.22 3ag3 h SER 34 Cb 0.38 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3ag3 h SER 34 CO 0.01 0.21 -0.82 -0.07 -0.87 0.00 0.00 176.83 175.28 3ag3 h LEU 35 N 0.06 0.75 -0.93 5.97 3.38 -0.39 -1.85 115.31 122.30 3ag3 h LEU 35 Ca 0.01 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 3ag3 h LEU 35 Cb 0.30 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3ag3 h LEU 35 CO 0.02 1.30 0.46 -0.07 0.09 0.00 0.00 178.44 180.24 3ag3 h LEU 36 N 0.40 1.09 0.06 1.67 3.38 -0.73 0.15 115.31 121.34 3ag3 h LEU 36 Ca -0.06 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3ag3 h LEU 36 Cb 1.44 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3ag3 h LEU 36 CO 0.16 0.89 -0.06 0.40 0.09 0.00 0.00 178.44 179.92 3ag3 h ILE 37 N 1.22 0.87 0.00 1.22 2.04 -1.32 -0.97 117.51 120.57 3ag3 h ILE 37 Ca 0.30 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.12 3ag3 h ILE 37 Cb 0.05 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3ag3 h ILE 37 CO -0.05 0.00 -0.23 0.03 0.00 0.00 0.00 178.15 177.90 3ag3 h ARG 38 N -0.13 0.00 0.06 2.37 2.47 -0.98 -2.07 114.38 116.10 3ag3 h ARG 38 Ca 0.00 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.48 3ag3 h ARG 38 Cb 0.13 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 3ag3 h ARG 38 CO -0.01 0.23 -1.06 0.00 0.56 0.00 0.00 179.97 179.68 3ag3 h ALA 39 N 1.77 0.28 -0.84 0.04 0.00 -0.37 0.40 119.26 120.54 3ag3 h ALA 39 Ca -0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 3ag3 h ALA 39 Cb 0.88 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3ag3 h ALA 39 CO 0.03 0.92 0.47 1.49 0.00 0.00 0.00 179.25 182.17 3ag3 h GLU 40 N 0.13 1.17 -0.01 0.00 4.57 -0.63 -2.77 114.58 117.04 3ag3 h GLU 40 Ca -0.09 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 3ag3 h GLU 40 Cb 1.74 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 30.10 3ag3 h GLU 40 CO 0.17 0.85 -0.27 1.28 -1.18 0.00 0.00 179.01 179.86 3ag3 n LEU 41 N -4.35 0.89 -0.23 1.64 4.77 -0.83 -4.35 117.00 114.55 3ag3 n LEU 41 Ca 0.09 -0.19 0.14 0.00 -0.03 0.00 0.00 56.01 56.01 3ag3 n LEU 41 Cb 0.09 -0.15 0.54 0.00 -2.33 0.00 0.00 43.42 41.57 3ag3 n LEU 41 CO 0.38 0.17 0.81 0.61 -1.33 0.00 0.00 177.39 178.04 3ag3 n GLY 42 N 1.35 -0.63 3.15 -0.72 0.00 0.12 -4.45 105.19 104.01 3ag3 n GLY 42 Ca 0.12 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 3ag3 n GLY 42 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ag3 s GLN 43 N -2.35 0.76 0.58 1.61 -2.07 -1.26 -4.40 119.66 112.53 3ag3 s GLN 43 Ca 0.31 -1.18 -0.19 0.00 -1.82 0.00 0.00 55.36 52.48 3ag3 s GLN 43 Cb 0.20 0.26 -0.04 0.00 -1.09 0.00 0.00 33.01 32.34 3ag3 s GLN 43 CO 0.45 -0.20 1.20 -1.25 -1.32 0.00 0.00 175.29 174.18 3ag3 s PRO 44 N -3.93 3.03 0.10 9.60 0.04 -1.26 -4.75 135.00 137.82 3ag3 s PRO 44 Ca 0.10 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.95 3ag3 s PRO 44 Cb 0.07 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3ag3 s PRO 44 CO -0.08 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.21 3ag3 n GLY 45 N 0.48 -1.86 3.55 0.56 0.00 -1.26 -5.01 105.19 101.66 3ag3 n GLY 45 Ca 0.13 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 3ag3 n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ag3 s THR 46 N 0.00 3.48 -0.21 2.61 -1.32 -1.26 -4.71 115.64 114.23 3ag3 s THR 46 Ca 0.00 -0.62 -0.10 0.00 -1.21 0.00 0.00 61.69 59.76 3ag3 s THR 46 Cb 0.00 -2.42 -0.09 0.00 -1.51 0.00 0.00 72.50 68.48 3ag3 s THR 46 CO 0.00 0.56 -0.26 -0.11 -2.21 0.00 0.00 174.62 172.59 3ag3 n LEU 47 N 2.12 1.57 0.07 9.08 7.94 -1.26 -4.63 117.00 131.88 3ag3 n LEU 47 Ca -0.17 0.23 -0.04 0.00 -1.11 0.00 0.00 56.01 54.92 3ag3 n LEU 47 Cb 0.53 -0.62 -0.08 0.00 0.53 0.00 0.00 43.42 43.78 3ag3 n LEU 47 CO 0.27 0.46 0.07 -0.07 -1.11 0.00 0.00 177.39 177.01 3ag3 h LEU 48 N -0.69 0.00 0.30 -1.96 3.38 -1.95 -3.47 115.31 110.92 3ag3 h LEU 48 Ca -0.52 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.32 3ag3 h LEU 48 Cb 1.48 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.18 3ag3 h LEU 48 CO -0.30 0.81 -0.12 0.61 0.09 0.00 0.00 178.44 179.53 3ag3 n GLY 49 N 1.35 0.87 3.12 0.83 0.00 -1.26 -4.95 105.19 105.15 3ag3 n GLY 49 Ca -0.03 -0.67 0.02 0.00 0.00 0.00 0.00 46.02 45.34 3ag3 n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag3 s ASP 50 N -2.85 -1.36 0.36 1.61 -1.08 -1.26 -5.03 116.67 107.06 3ag3 s ASP 50 Ca 0.00 0.21 0.19 0.00 -0.52 0.00 0.00 52.55 52.43 3ag3 s ASP 50 Cb 0.00 1.94 0.30 0.00 -1.46 0.00 0.00 42.92 43.70 3ag3 s ASP 50 CO 0.00 -0.30 1.56 0.44 0.52 0.00 0.00 175.17 177.39 3ag3 h ASP 51 N 8.02 0.00 -0.05 -0.34 3.45 -1.99 -1.75 116.42 123.75 3ag3 h ASP 51 Ca -0.05 0.00 0.01 0.00 0.43 0.00 0.00 57.03 57.42 3ag3 h ASP 51 Cb 1.18 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.94 3ag3 h ASP 51 CO 0.18 0.28 -0.01 -0.61 -1.57 0.00 0.00 179.24 177.50 3ag3 h GLN 52 N 0.00 -0.00 -0.83 3.56 5.75 -1.95 0.38 115.11 122.01 3ag3 h GLN 52 Ca -0.00 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3ag3 h GLN 52 Cb 1.15 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.66 3ag3 h GLN 52 CO 0.04 -0.00 0.38 0.82 -2.65 0.00 0.00 178.83 177.42 3ag3 h ILE 53 N -0.00 1.26 -0.80 2.39 2.04 -1.72 -1.03 117.51 119.65 3ag3 h ILE 53 Ca 0.03 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.16 3ag3 h ILE 53 Cb 0.04 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 3ag3 h ILE 53 CO -0.06 0.32 0.53 0.22 0.00 0.00 0.00 178.15 179.16 3ag3 h TYR 54 N 1.19 0.97 -0.21 1.37 5.03 -1.04 -0.54 116.97 123.74 3ag3 h TYR 54 Ca 0.28 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.42 3ag3 h TYR 54 Cb 0.15 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.10 3ag3 h TYR 54 CO 0.02 0.58 -0.64 -0.91 -1.32 0.00 0.00 178.16 175.89 3ag3 h ASN 55 N 1.02 0.86 -0.94 -2.11 2.35 0.19 -0.78 115.58 116.16 3ag3 h ASN 55 Ca 0.31 -0.50 0.09 0.00 -0.55 0.00 0.00 56.30 55.65 3ag3 h ASN 55 Cb -0.01 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.03 3ag3 h ASN 55 CO -0.08 1.28 0.58 0.58 -1.65 0.00 0.00 177.43 178.14 3ag3 h VAL 56 N 0.55 0.98 -0.16 2.81 2.07 -0.90 -1.78 116.25 119.82 3ag3 h VAL 56 Ca -0.01 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3ag3 h VAL 56 Cb 1.24 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3ag3 h VAL 56 CO 0.13 0.18 0.03 0.58 0.02 0.00 0.00 177.57 178.51 3ag3 h VAL 57 N 0.99 1.22 -0.63 2.57 2.07 -0.25 0.02 116.25 122.24 3ag3 h VAL 57 Ca 0.44 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3ag3 h VAL 57 Cb 0.32 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3ag3 h VAL 57 CO -0.22 0.21 0.33 0.58 0.02 0.00 0.00 177.57 178.49 3ag3 h VAL 58 N 0.05 1.19 -0.05 2.57 2.07 -1.01 0.11 116.25 121.19 3ag3 h VAL 58 Ca 0.05 -0.51 -0.18 0.00 0.82 0.00 0.00 66.70 66.88 3ag3 h VAL 58 Cb 0.30 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3ag3 h VAL 58 CO 0.00 0.22 -0.66 0.74 0.02 0.00 0.00 177.57 177.89 3ag3 h THR 59 N 0.87 1.37 -0.71 2.57 2.02 -1.01 -2.68 112.91 115.34 3ag3 h THR 59 Ca 0.22 -2.01 -0.07 0.00 0.77 0.00 0.00 66.41 65.32 3ag3 h THR 59 Cb 0.05 2.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 3ag3 h THR 59 CO -0.03 0.60 0.18 0.00 0.37 0.00 0.00 175.52 176.64 3ag3 h ALA 60 N 0.41 0.98 -0.30 6.16 0.00 -0.81 -2.35 119.26 123.35 3ag3 h ALA 60 Ca -0.07 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.67 3ag3 h ALA 60 Cb 1.34 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 3ag3 h ALA 60 CO 0.13 0.66 -0.28 1.25 0.00 0.00 0.00 179.25 181.02 3ag3 h HIS 61 N 1.07 -0.76 -0.35 0.00 6.17 -0.58 -0.06 115.15 120.65 3ag3 h HIS 61 Ca 0.22 0.05 -0.03 0.00 0.71 0.00 0.00 60.37 61.32 3ag3 h HIS 61 Cb 0.36 0.38 -0.01 0.00 2.52 0.00 0.00 27.41 30.66 3ag3 h HIS 61 CO 0.03 -0.35 0.10 0.00 0.71 0.00 0.00 177.93 178.41 3ag3 h ALA 62 N 0.76 0.46 -0.60 5.26 0.00 -1.23 -1.39 119.26 122.52 3ag3 h ALA 62 Ca 0.15 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3ag3 h ALA 62 Cb 0.50 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3ag3 h ALA 62 CO -0.45 0.11 0.02 0.74 0.00 0.00 0.00 179.25 179.67 3ag3 h PHE 63 N 0.41 1.13 0.15 0.00 0.04 -1.07 -0.16 116.94 117.43 3ag3 h PHE 63 Ca 0.11 -0.19 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 3ag3 h PHE 63 Cb 0.27 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.13 3ag3 h PHE 63 CO 0.01 0.99 -0.07 0.28 -0.60 0.00 0.00 178.31 178.92 3ag3 h VAL 64 N 0.94 0.92 -0.53 -0.55 2.07 -0.92 0.62 116.25 118.80 3ag3 h VAL 64 Ca 0.17 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 3ag3 h VAL 64 Cb 0.53 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3ag3 h VAL 64 CO 0.03 0.07 0.05 0.24 0.02 0.00 0.00 177.57 177.98 3ag3 h MET 65 N -0.34 0.85 0.00 1.57 2.86 -1.04 -0.27 114.93 118.57 3ag3 h MET 65 Ca -0.02 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.33 3ag3 h MET 65 Cb 0.27 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3ag3 h MET 65 CO 0.03 0.82 -0.42 0.82 1.06 0.00 0.00 176.91 179.23 3ag3 h ILE 66 N 0.80 1.22 0.00 -1.22 2.04 -0.95 -0.85 117.51 118.56 3ag3 h ILE 66 Ca 0.16 -2.07 -0.06 0.00 1.00 0.00 0.00 64.86 63.89 3ag3 h ILE 66 Cb 0.41 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 3ag3 h ILE 66 CO 0.01 0.41 -1.20 0.49 0.00 0.00 0.00 178.15 177.87 3ag3 n PHE 67 N -4.57 0.94 0.13 1.37 3.72 0.20 -2.70 117.46 116.56 3ag3 n PHE 67 Ca -0.16 0.29 0.04 0.00 -0.05 0.00 0.00 57.45 57.57 3ag3 n PHE 67 Cb 0.48 -1.00 -0.05 0.00 -0.94 0.00 0.00 39.48 37.97 3ag3 n PHE 67 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3ag3 n PHE 68 N -2.74 0.00 -0.02 1.38 3.72 -0.48 -4.33 117.46 114.98 3ag3 n PHE 68 Ca -0.04 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.33 3ag3 n PHE 68 Cb 0.66 -0.11 -0.01 0.00 -0.94 0.00 0.00 39.48 39.09 3ag3 n PHE 68 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 3ag3 n MET 69 N -1.54 0.15 0.17 -1.08 1.56 -0.23 -4.10 117.12 112.05 3ag3 n MET 69 Ca -0.00 0.06 -0.13 0.00 -0.27 0.00 0.00 57.70 57.35 3ag3 n MET 69 Cb 0.17 -0.67 -0.08 0.00 2.15 0.00 0.00 33.22 34.78 3ag3 n MET 69 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3ag3 h VAL 70 N -0.29 0.64 -0.45 1.12 2.07 -1.23 -1.95 116.25 116.16 3ag3 h VAL 70 Ca 0.00 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 3ag3 h VAL 70 Cb 0.29 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3ag3 h VAL 70 CO 0.00 0.10 0.11 0.24 0.02 0.00 0.00 177.57 178.04 3ag3 h MET 71 N -0.79 0.73 -0.63 1.57 2.86 -1.76 0.71 114.93 117.61 3ag3 h MET 71 Ca -0.05 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.38 3ag3 h MET 71 Cb 0.52 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 3ag3 h MET 71 CO 0.08 0.72 0.22 -1.35 1.06 0.00 0.00 176.91 177.65 3ag3 h PRO 72 N 0.60 0.94 0.26 -0.22 0.11 -1.75 -0.77 132.00 131.17 3ag3 h PRO 72 Ca 0.14 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3ag3 h PRO 72 Cb 0.33 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.28 3ag3 h PRO 72 CO 0.00 0.79 -0.13 0.82 -0.21 0.00 0.00 178.00 179.28 3ag3 h ILE 73 N 0.92 0.79 -0.10 4.15 2.04 -1.05 0.72 117.51 124.97 3ag3 h ILE 73 Ca 0.21 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 3ag3 h ILE 73 Cb 0.22 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3ag3 h ILE 73 CO -0.01 0.11 -0.04 0.24 0.00 0.00 0.00 178.15 178.45 3ag3 h MET 74 N -0.64 0.21 0.00 2.37 2.86 -0.82 0.21 114.93 119.12 3ag3 h MET 74 Ca -0.04 -0.08 -0.32 0.00 -2.06 0.00 0.00 59.70 57.20 3ag3 h MET 74 Cb 0.46 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 3ag3 h MET 74 CO 0.06 0.54 -1.73 -0.89 1.06 0.00 0.00 176.91 175.95 3ag3 n ILE 75 N -4.74 1.53 0.08 -1.22 5.41 -0.31 -1.25 119.36 118.87 3ag3 n ILE 75 Ca -0.06 -0.16 -0.10 0.00 1.00 0.00 0.00 62.75 63.43 3ag3 n ILE 75 Cb 0.26 -1.98 -0.09 0.00 -0.71 0.00 0.00 39.64 37.11 3ag3 n ILE 75 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3ag3 h GLY 76 N -0.99 0.14 0.00 7.39 0.00 -1.23 -2.22 103.07 106.16 3ag3 h GLY 76 Ca -0.48 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.52 3ag3 h GLY 76 CO -0.29 0.29 -0.31 0.61 0.00 0.00 0.00 176.54 176.84 3ag3 n GLY 77 N 1.28 -0.71 0.25 4.60 0.00 0.24 -3.03 105.19 107.83 3ag3 n GLY 77 Ca -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 3ag3 n GLY 77 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ag3 h PHE 78 N -0.52 0.51 0.21 1.61 -1.00 -0.61 -1.19 116.94 115.95 3ag3 h PHE 78 Ca 0.00 -0.08 -0.01 0.00 2.81 0.00 0.00 57.97 60.69 3ag3 h PHE 78 Cb 0.31 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.74 3ag3 h PHE 78 CO -0.13 0.61 -0.10 0.78 -1.61 0.00 0.00 178.31 177.85 3ag3 h GLY 79 N 0.94 -0.29 1.18 -1.45 0.00 -0.54 -0.04 103.07 102.86 3ag3 h GLY 79 Ca 0.08 0.11 -0.17 0.00 0.00 0.00 0.00 47.33 47.35 3ag3 h GLY 79 CO 0.03 -0.11 -0.44 3.43 0.00 0.00 0.00 176.54 179.46 3ag3 h ASN 80 N -0.40 0.96 -0.28 0.19 2.35 -1.41 -0.75 115.58 116.24 3ag3 h ASN 80 Ca -0.03 -0.46 0.06 0.00 -0.55 0.00 0.00 56.30 55.32 3ag3 h ASN 80 Cb 0.30 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 3ag3 h ASN 80 CO 0.05 1.25 -0.09 -0.50 -1.65 0.00 0.00 177.43 176.49 3ag3 h TRP 81 N 0.71 -0.20 0.00 1.19 4.06 -1.18 -3.38 115.95 117.15 3ag3 h TRP 81 Ca 0.05 0.03 -0.37 0.00 2.06 0.00 0.00 58.89 60.66 3ag3 h TRP 81 Cb 1.03 0.13 -0.07 0.00 -1.00 0.00 0.00 29.16 29.25 3ag3 h TRP 81 CO 0.06 -0.14 -2.38 1.28 -3.56 0.00 0.00 178.44 173.70 3ag3 n LEU 82 N -5.26 0.22 0.23 -4.49 4.77 -0.03 -4.22 117.00 108.20 3ag3 n LEU 82 Ca -0.00 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.82 3ag3 n LEU 82 Cb 0.18 0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 3ag3 n LEU 82 CO 0.20 0.52 0.67 0.58 -1.33 0.00 0.00 177.39 178.03 3ag3 h VAL 83 N 0.00 0.61 -0.71 4.08 2.07 -1.28 0.27 116.25 121.28 3ag3 h VAL 83 Ca -0.54 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 66.82 3ag3 h VAL 83 Cb 2.21 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.64 3ag3 h VAL 83 CO 0.02 0.04 0.47 -0.65 0.02 0.00 0.00 177.57 177.46 3ag3 h PRO 84 N -0.65 0.84 -0.49 1.57 0.11 -1.78 -2.11 132.00 129.50 3ag3 h PRO 84 Ca -0.06 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.92 3ag3 h PRO 84 Cb 0.48 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 3ag3 h PRO 84 CO 0.09 0.55 -0.04 -0.07 -0.21 0.00 0.00 178.00 178.32 3ag3 h LEU 85 N 0.86 0.82 -1.21 2.35 3.38 -1.62 0.25 115.31 120.15 3ag3 h LEU 85 Ca 0.28 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ag3 h LEU 85 Cb 0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3ag3 h LEU 85 CO -0.08 0.91 -0.00 0.24 0.09 0.00 0.00 178.44 179.60 3ag3 h MET 86 N 0.77 0.00 -0.25 1.13 2.86 0.21 -2.42 114.93 117.23 3ag3 h MET 86 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3ag3 h MET 86 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3ag3 h MET 86 CO 0.03 0.00 0.00 0.44 1.06 0.00 0.00 176.91 178.44 3ag3 n ILE 87 N -3.09 2.12 -1.90 -1.22 -5.35 -1.07 -4.74 119.36 104.11 3ag3 n ILE 87 Ca 0.01 -1.82 -0.17 0.00 -0.27 0.00 0.00 62.75 60.51 3ag3 n ILE 87 Cb 0.35 -0.17 -0.04 0.00 -1.74 0.00 0.00 39.64 38.03 3ag3 n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ag3 n GLY 88 N -0.48 0.69 3.88 3.28 0.00 -0.73 -4.03 105.19 107.80 3ag3 n GLY 88 Ca 0.20 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3ag3 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag3 s ALA 89 N -2.73 3.57 -1.13 4.61 0.00 0.81 -4.58 121.76 122.31 3ag3 s ALA 89 Ca 0.00 -0.34 0.27 0.00 0.00 0.00 0.00 51.96 51.89 3ag3 s ALA 89 Cb 0.00 -2.42 0.85 0.00 0.00 0.00 0.00 23.12 21.56 3ag3 s ALA 89 CO 0.00 0.41 1.65 -0.35 0.00 0.00 0.00 175.76 177.47 3ag3 n PRO 90 N -0.40 0.14 -1.33 0.00 -0.04 -1.26 -4.53 135.00 127.58 3ag3 n PRO 90 Ca 0.00 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3ag3 n PRO 90 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 3ag3 n PRO 90 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3ag3 n ASP 91 N -1.38 0.00 -4.86 3.54 -0.08 -1.26 -4.66 116.55 107.84 3ag3 n ASP 91 Ca 0.08 -0.82 -0.29 0.00 -1.51 0.00 0.00 54.79 52.24 3ag3 n ASP 91 Cb 0.33 0.00 0.10 0.00 2.34 0.00 0.00 41.12 43.89 3ag3 n ASP 91 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3ag3 s MET 92 N -1.47 1.71 0.15 -0.67 -1.94 -1.26 -4.86 119.30 110.97 3ag3 s MET 92 Ca 0.00 0.17 -0.11 0.00 -1.71 0.00 0.00 55.69 54.04 3ag3 s MET 92 Cb 0.00 -1.92 0.01 0.00 2.01 0.00 0.00 34.83 34.93 3ag3 s MET 92 CO 0.00 -1.78 1.57 0.00 -0.01 0.00 0.00 175.02 174.80 3ag3 h ALA 93 N -1.19 0.67 -3.02 3.03 0.00 -1.92 -3.32 119.26 113.51 3ag3 h ALA 93 Ca -0.47 -0.34 -0.62 0.00 0.00 0.00 0.00 54.91 53.48 3ag3 h ALA 93 Cb 1.33 -0.17 -0.42 0.00 0.00 0.00 0.00 17.79 18.53 3ag3 h ALA 93 CO 0.65 0.57 -0.62 -0.06 0.00 0.00 0.00 179.25 179.79 3ag3 s PHE 94 N -4.84 3.29 0.34 0.00 0.08 -1.26 -4.96 117.98 110.64 3ag3 s PHE 94 Ca -0.12 -3.23 0.20 0.00 0.12 0.00 0.00 56.93 53.91 3ag3 s PHE 94 Cb 0.12 -2.52 1.03 0.00 -0.57 0.00 0.00 43.02 41.08 3ag3 s PHE 94 CO 0.84 -0.58 1.92 -1.35 -0.10 0.00 0.00 175.22 175.95 3ag3 h PRO 95 N 5.47 0.00 0.10 0.24 0.11 -1.89 -0.59 132.00 135.43 3ag3 h PRO 95 Ca 0.15 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.07 3ag3 h PRO 95 Cb 0.78 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.89 3ag3 h PRO 95 CO 0.68 0.25 -0.90 -0.09 -0.21 0.00 0.00 178.00 177.73 3ag3 h ARG 96 N 0.00 0.21 -0.35 1.05 2.43 -1.86 -3.20 114.38 112.65 3ag3 h ARG 96 Ca -0.00 -0.36 0.04 0.00 -0.81 0.00 0.00 59.98 58.86 3ag3 h ARG 96 Cb 0.56 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3ag3 h ARG 96 CO 0.03 1.17 0.24 1.98 -1.51 0.00 0.00 179.97 181.88 3ag3 h MET 97 N -0.51 0.29 -0.82 0.20 4.05 -1.91 -1.36 114.93 114.87 3ag3 h MET 97 Ca -0.18 -0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.33 3ag3 h MET 97 Cb 1.54 -0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 32.20 3ag3 h MET 97 CO 0.07 0.19 0.44 -0.97 0.23 0.00 0.00 176.91 176.87 3ag3 h ASN 98 N 0.30 0.59 0.31 1.39 -1.24 -1.18 0.10 115.58 115.85 3ag3 h ASN 98 Ca 0.15 0.06 -0.04 0.00 0.71 0.00 0.00 56.30 57.18 3ag3 h ASN 98 Cb 0.22 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 3ag3 h ASN 98 CO -0.03 0.31 -0.21 -1.13 -1.29 0.00 0.00 177.43 175.08 3ag3 h ASN 99 N 0.71 0.00 0.53 1.15 -1.24 -1.24 -2.24 115.58 113.25 3ag3 h ASN 99 Ca 0.41 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 57.19 3ag3 h ASN 99 Cb 0.46 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.51 3ag3 h ASN 99 CO -0.29 0.21 -1.03 -0.03 -1.29 0.00 0.00 177.43 175.01 3ag3 h MET 100 N 0.00 0.29 -0.83 6.67 4.05 -0.63 -1.80 114.93 122.68 3ag3 h MET 100 Ca -0.00 -0.37 0.06 0.00 -0.28 0.00 0.00 59.70 59.11 3ag3 h MET 100 Cb 0.43 0.12 -0.06 0.00 -0.80 0.00 0.00 31.60 31.29 3ag3 h MET 100 CO 0.03 1.10 0.51 0.77 0.23 0.00 0.00 176.91 179.55 3ag3 h SER 101 N 0.13 0.80 0.34 1.39 0.02 -0.70 -0.95 113.55 114.58 3ag3 h SER 101 Ca -0.09 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3ag3 h SER 101 Cb 1.70 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.08 3ag3 h SER 101 CO 0.17 0.52 -0.27 0.15 -1.14 0.00 0.00 176.83 176.26 3ag3 h PHE 102 N 0.94 -0.70 0.00 3.45 3.57 -1.23 -3.28 116.94 119.68 3ag3 h PHE 102 Ca 0.36 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.86 3ag3 h PHE 102 Cb 0.15 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3ag3 h PHE 102 CO -0.04 -0.40 0.00 0.91 -2.23 0.00 0.00 178.31 176.55 3ag3 n TRP 103 N -5.39 0.64 0.28 0.41 7.02 -0.69 -1.12 117.44 118.59 3ag3 n TRP 103 Ca -0.10 0.20 0.16 0.00 -1.02 0.00 0.00 57.50 56.75 3ag3 n TRP 103 Cb 0.30 -0.83 0.82 0.00 -2.42 0.00 0.00 31.31 29.18 3ag3 n TRP 103 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3ag3 h LEU 104 N 0.00 0.00 -0.09 -0.99 3.38 -1.24 -3.36 115.31 113.01 3ag3 h LEU 104 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3ag3 h LEU 104 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3ag3 h LEU 104 CO 0.00 0.06 -0.26 -0.07 0.09 0.00 0.00 178.44 178.26 3ag3 h LEU 105 N 0.00 0.38 -0.75 1.67 3.38 -1.24 -1.89 115.31 116.87 3ag3 h LEU 105 Ca -0.00 -0.60 0.07 0.00 0.09 0.00 0.00 57.88 57.43 3ag3 h LEU 105 Cb 0.32 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 3ag3 h LEU 105 CO 0.01 0.92 0.43 -0.65 0.09 0.00 0.00 178.44 179.24 3ag3 h PRO 106 N -0.13 0.76 -0.44 1.13 0.11 -1.74 0.31 132.00 132.00 3ag3 h PRO 106 Ca -0.01 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3ag3 h PRO 106 Cb 0.88 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 3ag3 h PRO 106 CO 0.06 0.50 0.19 -1.35 -0.21 0.00 0.00 178.00 177.19 3ag3 h PRO 107 N 0.78 0.61 -0.37 1.05 0.11 -1.73 0.26 132.00 132.72 3ag3 h PRO 107 Ca 0.34 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.35 3ag3 h PRO 107 Cb 0.22 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 3ag3 h PRO 107 CO -0.19 0.50 0.13 1.03 -0.21 0.00 0.00 178.00 179.25 3ag3 h SER 108 N 0.62 0.52 -0.20 -2.05 0.87 -0.46 -0.53 113.55 112.32 3ag3 h SER 108 Ca 0.15 -0.19 -0.12 0.00 -1.23 0.00 0.00 61.79 60.40 3ag3 h SER 108 Cb 0.10 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3ag3 h SER 108 CO -0.02 0.57 -0.30 0.15 -0.53 0.00 0.00 176.83 176.70 3ag3 h PHE 109 N 0.44 0.81 -0.81 2.24 -0.00 0.30 -2.14 116.94 117.78 3ag3 h PHE 109 Ca 0.12 -0.21 -0.00 0.00 -0.00 0.00 0.00 57.97 57.88 3ag3 h PHE 109 Cb 0.22 -0.18 -0.04 0.00 -0.00 0.00 0.00 35.95 35.95 3ag3 h PHE 109 CO 0.00 0.92 0.50 1.25 -0.00 0.00 0.00 178.31 180.98 3ag3 h LEU 110 N 0.60 0.97 -1.16 0.59 5.85 -0.13 0.13 115.31 122.16 3ag3 h LEU 110 Ca 0.07 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3ag3 h LEU 110 Cb 0.81 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 3ag3 h LEU 110 CO 0.07 0.74 0.58 -0.07 -0.34 0.00 0.00 178.44 179.42 3ag3 h LEU 111 N 1.11 0.93 -0.54 2.25 3.38 -0.77 0.13 115.31 121.80 3ag3 h LEU 111 Ca 0.29 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 3ag3 h LEU 111 Cb -0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3ag3 h LEU 111 CO -0.06 0.64 0.10 0.25 0.09 0.00 0.00 178.44 179.46 3ag3 h LEU 112 N 1.08 0.86 -0.49 1.67 5.85 -0.72 -0.63 115.31 122.93 3ag3 h LEU 112 Ca 0.35 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 3ag3 h LEU 112 Cb 0.05 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3ag3 h LEU 112 CO -0.11 0.89 0.15 -0.07 -0.34 0.00 0.00 178.44 178.97 3ag3 h LEU 113 N 0.78 0.72 -0.78 2.25 3.38 -0.11 -2.53 115.31 119.03 3ag3 h LEU 113 Ca 0.17 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.02 3ag3 h LEU 113 Cb 0.39 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.89 3ag3 h LEU 113 CO 0.01 0.73 0.43 0.00 0.09 0.00 0.00 178.44 179.71 3ag3 h ALA 114 N 1.01 1.09 -0.57 1.53 0.00 -0.53 -1.28 119.26 120.51 3ag3 h ALA 114 Ca 0.16 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.14 3ag3 h ALA 114 Cb 0.27 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3ag3 h ALA 114 CO -0.01 0.07 0.38 1.03 0.00 0.00 0.00 179.25 180.72 3ag3 h SER 115 N 0.74 0.53 1.22 0.00 0.87 -0.68 -1.75 113.55 114.48 3ag3 h SER 115 Ca 0.37 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3ag3 h SER 115 Cb 0.33 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 3ag3 h SER 115 CO -0.24 0.36 -0.41 0.77 -0.53 0.00 0.00 176.83 176.78 3ag3 h SER 116 N 0.62 0.00 0.39 6.23 4.64 -1.07 -3.31 113.55 121.05 3ag3 h SER 116 Ca 0.23 -0.09 -0.31 0.00 -0.47 0.00 0.00 61.79 61.15 3ag3 h SER 116 Cb 0.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 3ag3 h SER 116 CO -0.06 0.05 -1.75 0.24 -0.87 0.00 0.00 176.83 174.43 3ag3 h MET 117 N 0.00 0.11 -6.23 4.77 2.86 -0.76 -3.39 114.93 112.28 3ag3 h MET 117 Ca 0.00 -0.19 -0.57 0.00 -2.06 0.00 0.00 59.70 56.88 3ag3 h MET 117 Cb 0.82 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.51 3ag3 h MET 117 CO 0.00 0.80 -0.25 0.14 1.06 0.00 0.00 176.91 178.66 3ag3 s VAL 118 N -2.59 5.10 0.00 -2.22 -7.23 -0.92 -4.92 120.40 107.61 3ag3 s VAL 118 Ca -0.10 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 3ag3 s VAL 118 Cb 0.07 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.39 3ag3 s VAL 118 CO 0.81 0.03 0.00 -0.62 -0.31 0.00 0.00 175.10 175.01 3ag3 n GLU 119 N 0.10 0.00 -0.50 4.82 -0.58 -1.26 -2.12 120.64 121.10 3ag3 n GLU 119 Ca -0.02 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.79 3ag3 n GLU 119 Cb 0.52 0.00 0.19 0.00 -0.57 0.00 0.00 31.44 31.58 3ag3 n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ag3 n ALA 120 N 10.46 3.35 -0.47 0.62 0.00 -1.26 -5.10 120.51 128.11 3ag3 n ALA 120 Ca 0.00 -3.15 0.06 0.00 0.00 0.00 0.00 53.44 50.35 3ag3 n ALA 120 Cb 0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 3ag3 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ag3 n GLY 121 N -1.16 -1.78 3.31 0.00 0.00 -0.90 -4.64 105.19 100.02 3ag3 n GLY 121 Ca 0.18 -1.40 -0.46 0.00 0.00 0.00 0.00 46.02 44.34 3ag3 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag3 s ALA 122 N -1.84 3.80 -1.19 4.61 0.00 -1.26 -4.80 121.76 121.10 3ag3 s ALA 122 Ca 0.00 -2.83 -0.06 0.00 0.00 0.00 0.00 51.96 49.07 3ag3 s ALA 122 Cb 0.00 -3.35 0.23 0.00 0.00 0.00 0.00 23.12 20.00 3ag3 s ALA 122 CO 0.00 -2.11 1.81 0.41 0.00 0.00 0.00 175.76 175.87 3ag3 n GLY 123 N 4.76 5.15 0.01 0.00 0.00 -1.26 -4.35 105.19 109.50 3ag3 n GLY 123 Ca -0.03 -2.35 0.02 0.00 0.00 0.00 0.00 46.02 43.66 3ag3 n GLY 123 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ag3 n THR 124 N 1.96 0.00 -0.49 2.61 -2.24 -1.26 -4.75 114.28 110.11 3ag3 n THR 124 Ca 0.39 -0.38 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 3ag3 n THR 124 Cb 0.32 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 3ag3 n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ag3 n GLY 125 N 1.08 -2.90 0.00 3.38 0.00 -1.26 -4.06 105.19 101.43 3ag3 n GLY 125 Ca 0.01 -1.31 0.09 0.00 0.00 0.00 0.00 46.02 44.82 3ag3 n GLY 125 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3ag3 n TRP 126 N -2.77 0.00 0.29 1.61 4.27 -1.26 -1.80 117.44 117.78 3ag3 n TRP 126 Ca -0.03 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.71 3ag3 n TRP 126 Cb 0.23 -0.50 0.33 0.00 -1.36 0.00 0.00 31.31 30.02 3ag3 n TRP 126 CO 0.00 0.00 0.00 1.79 -2.29 0.00 0.00 177.69 177.19 3ag3 h THR 127 N 0.00 0.00 -5.76 -1.67 1.35 -1.97 -3.48 112.91 101.38 3ag3 h THR 127 Ca 0.00 -0.79 -0.42 0.00 -0.55 0.00 0.00 66.41 64.65 3ag3 h THR 127 Cb 0.33 1.78 0.06 0.00 -1.73 0.00 0.00 68.15 68.59 3ag3 h THR 127 CO 0.00 0.00 -0.69 0.52 -0.25 0.00 0.00 175.52 175.10 3ag3 n VAL 128 N -2.95 -2.46 -2.21 6.82 0.31 -0.74 -4.90 118.33 112.19 3ag3 n VAL 128 Ca 0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.96 3ag3 n VAL 128 Cb 0.45 -3.47 -0.03 0.00 -0.91 0.00 0.00 33.84 29.88 3ag3 n VAL 128 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ag3 s TYR 129 N -3.27 3.21 0.57 3.52 4.12 -1.26 -4.65 117.35 119.59 3ag3 s TYR 129 Ca 0.56 1.40 -0.11 0.00 0.02 0.00 0.00 57.07 58.94 3ag3 s TYR 129 Cb -0.26 -3.58 -0.05 0.00 -1.52 0.00 0.00 41.96 36.55 3ag3 s TYR 129 CO 0.69 -1.63 0.98 -1.25 0.02 0.00 0.00 175.55 174.37 3ag3 s PRO 130 N -1.19 3.67 0.00 -1.71 0.04 -1.26 -0.69 135.00 133.86 3ag3 s PRO 130 Ca 0.51 0.71 0.28 0.00 0.04 0.00 0.00 61.00 62.54 3ag3 s PRO 130 Cb -0.37 -2.14 1.14 0.00 0.04 0.00 0.00 34.50 33.17 3ag3 s PRO 130 CO 0.46 -0.45 1.86 -2.30 0.04 0.00 0.00 177.00 176.62 3ag3 n PRO 131 N -2.41 0.01 -0.13 0.56 -0.02 -1.26 -4.80 135.00 126.94 3ag3 n PRO 131 Ca 0.05 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.60 3ag3 n PRO 131 Cb 0.54 -1.51 0.38 0.00 -0.02 0.00 0.00 33.50 32.90 3ag3 n PRO 131 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ag3 h LEU 132 N 0.00 0.59 -1.01 2.45 5.85 -1.92 0.53 115.31 121.80 3ag3 h LEU 132 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ag3 h LEU 132 Cb 0.50 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3ag3 h LEU 132 CO 0.00 0.39 0.00 0.00 -0.34 0.00 0.00 178.44 178.49 3ag3 n ALA 133 N -2.46 2.53 -1.80 1.25 0.00 0.13 -3.46 120.51 116.70 3ag3 n ALA 133 Ca 0.09 -0.48 -0.20 0.00 0.00 0.00 0.00 53.44 52.84 3ag3 n ALA 133 Cb 0.20 -1.12 0.20 0.00 0.00 0.00 0.00 19.45 18.74 3ag3 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ag3 n GLY 134 N 1.11 -1.61 0.22 0.00 0.00 0.18 -4.73 105.19 100.36 3ag3 n GLY 134 Ca 0.16 -1.69 0.08 0.00 0.00 0.00 0.00 46.02 44.58 3ag3 n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ag3 n ASN 135 N -3.91 0.67 -0.10 1.61 0.23 -1.26 -0.75 115.26 111.74 3ag3 n ASN 135 Ca 0.16 -1.62 -0.16 0.00 -0.53 0.00 0.00 54.58 52.43 3ag3 n ASN 135 Cb 0.55 -0.05 -0.09 0.00 -2.08 0.00 0.00 39.78 38.11 3ag3 n ASN 135 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 3ag3 n LEU 136 N -0.31 2.68 0.09 -4.53 7.94 -1.26 -3.82 117.00 117.79 3ag3 n LEU 136 Ca 0.13 -0.03 0.12 0.00 -1.11 0.00 0.00 56.01 55.12 3ag3 n LEU 136 Cb 0.16 -0.70 0.13 0.00 0.53 0.00 0.00 43.42 43.54 3ag3 n LEU 136 CO 0.10 0.76 0.31 0.00 -1.11 0.00 0.00 177.39 177.45 3ag3 h ALA 137 N -0.16 0.61 -2.06 1.96 0.00 -1.74 -3.36 119.26 114.50 3ag3 h ALA 137 Ca -0.47 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.90 3ag3 h ALA 137 Cb 1.66 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 19.05 3ag3 h ALA 137 CO -0.13 0.00 -1.03 0.72 0.00 0.00 0.00 179.25 178.81 3ag3 n HIS 138 N -2.37 0.84 -2.30 0.00 8.25 0.07 -4.95 115.22 114.76 3ag3 n HIS 138 Ca 0.02 -3.78 -0.33 0.00 -0.26 0.00 0.00 57.72 53.37 3ag3 n HIS 138 Cb 0.48 -0.42 -0.01 0.00 1.12 0.00 0.00 29.99 31.16 3ag3 n HIS 138 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ag3 s ALA 139 N -2.11 2.81 0.00 -1.41 0.00 -1.25 -4.58 121.76 115.22 3ag3 s ALA 139 Ca 0.39 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.85 3ag3 s ALA 139 Cb 0.25 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.13 3ag3 s ALA 139 CO -0.09 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.53 3ag3 n GLY 140 N -0.64 0.58 0.18 0.00 0.00 -1.26 -4.78 105.19 99.26 3ag3 n GLY 140 Ca 0.09 -2.16 0.13 0.00 0.00 0.00 0.00 46.02 44.09 3ag3 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag3 h ALA 141 N 0.00 1.00 0.10 4.61 0.00 -1.94 -3.38 119.26 119.66 3ag3 h ALA 141 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ag3 h ALA 141 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ag3 h ALA 141 CO 0.00 0.00 -0.15 0.77 0.00 0.00 0.00 179.25 179.87 3ag3 h SER 142 N 0.00 -0.40 -0.42 0.00 0.02 -1.86 0.41 113.55 111.31 3ag3 h SER 142 Ca 0.00 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 3ag3 h SER 142 Cb 0.65 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 3ag3 h SER 142 CO 0.00 -0.22 -0.01 0.58 -1.14 0.00 0.00 176.83 176.05 3ag3 h VAL 143 N -0.30 1.25 -0.83 2.27 2.07 -1.85 0.20 116.25 119.06 3ag3 h VAL 143 Ca 0.02 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 3ag3 h VAL 143 Cb 0.31 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3ag3 h VAL 143 CO -0.07 0.36 0.49 0.44 0.02 0.00 0.00 177.57 178.81 3ag3 h ASP 144 N 0.76 1.01 -0.13 0.57 3.45 -1.66 -0.26 116.42 120.16 3ag3 h ASP 144 Ca 0.15 -0.07 -0.16 0.00 0.43 0.00 0.00 57.03 57.38 3ag3 h ASP 144 Cb 0.47 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 3ag3 h ASP 144 CO 0.02 0.78 -0.48 -0.07 -1.57 0.00 0.00 179.24 177.92 3ag3 h LEU 145 N 1.15 0.76 -0.35 1.55 3.38 0.05 -0.36 115.31 121.48 3ag3 h LEU 145 Ca 0.30 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ag3 h LEU 145 Cb -0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3ag3 h LEU 145 CO -0.05 1.11 0.18 0.74 0.09 0.00 0.00 178.44 180.51 3ag3 h THR 146 N 0.55 1.15 -0.40 0.22 2.02 -0.66 -0.44 112.91 115.36 3ag3 h THR 146 Ca 0.03 -0.42 0.05 0.00 0.77 0.00 0.00 66.41 66.83 3ag3 h THR 146 Cb 1.04 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 3ag3 h THR 146 CO 0.10 0.16 0.14 0.40 0.37 0.00 0.00 175.52 176.69 3ag3 h ILE 147 N 0.43 0.88 -0.66 3.11 2.04 -0.77 -1.15 117.51 121.39 3ag3 h ILE 147 Ca 0.12 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.88 3ag3 h ILE 147 Cb 0.09 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3ag3 h ILE 147 CO -0.02 0.05 0.42 -0.26 0.00 0.00 0.00 178.15 178.34 3ag3 h PHE 148 N 0.30 0.85 -0.59 1.37 0.04 -0.91 -0.61 116.94 117.38 3ag3 h PHE 148 Ca 0.18 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.94 3ag3 h PHE 148 Cb 0.17 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.01 3ag3 h PHE 148 CO -0.15 0.55 0.29 1.03 -0.60 0.00 0.00 178.31 179.43 3ag3 h SER 149 N 0.90 0.76 -0.37 2.17 0.87 -0.57 -0.87 113.55 116.45 3ag3 h SER 149 Ca 0.24 -0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.55 3ag3 h SER 149 Cb -0.07 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 3ag3 h SER 149 CO -0.05 0.68 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.64 3ag3 h LEU 150 N 0.80 0.88 -0.47 2.23 3.38 -0.48 -1.07 115.31 120.58 3ag3 h LEU 150 Ca 0.20 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.88 3ag3 h LEU 150 Cb 0.11 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3ag3 h LEU 150 CO -0.03 1.06 0.25 0.45 0.09 0.00 0.00 178.44 180.27 3ag3 h HIS 151 N 0.75 0.47 -0.26 1.13 3.86 -0.86 0.69 115.15 120.93 3ag3 h HIS 151 Ca 0.10 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.15 3ag3 h HIS 151 Cb 0.75 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.08 3ag3 h HIS 151 CO 0.04 0.25 -0.54 -0.07 0.86 0.00 0.00 177.93 178.47 3ag3 h LEU 152 N 0.50 0.85 -0.58 2.43 3.38 -0.73 -1.41 115.31 119.76 3ag3 h LEU 152 Ca 0.20 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3ag3 h LEU 152 Cb 0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3ag3 h LEU 152 CO -0.12 1.22 0.32 0.00 0.09 0.00 0.00 178.44 179.95 3ag3 h ALA 153 N 0.79 0.74 -0.48 1.53 0.00 -1.07 -2.10 119.26 118.67 3ag3 h ALA 153 Ca 0.01 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ag3 h ALA 153 Cb 1.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3ag3 h ALA 153 CO 0.11 0.26 0.28 0.78 0.00 0.00 0.00 179.25 180.68 3ag3 h GLY 154 N 0.78 0.67 0.84 0.00 0.00 -0.67 -2.00 103.07 102.69 3ag3 h GLY 154 Ca 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3ag3 h GLY 154 CO -0.03 0.18 0.03 -2.08 0.00 0.00 0.00 176.54 174.64 3ag3 h VAL 155 N 0.57 1.23 -0.70 4.60 2.07 -1.09 0.64 116.25 123.56 3ag3 h VAL 155 Ca 0.19 -0.75 0.13 0.00 0.82 0.00 0.00 66.70 67.10 3ag3 h VAL 155 Cb 0.02 1.33 -0.13 0.00 -1.52 0.00 0.00 31.29 30.98 3ag3 h VAL 155 CO -0.09 0.23 -0.24 -1.28 0.02 0.00 0.00 177.57 176.22 3ag3 h SER 156 N 0.13 -0.85 0.24 0.57 0.87 -1.26 -0.15 113.55 113.10 3ag3 h SER 156 Ca 0.06 0.23 -0.20 0.00 -1.23 0.00 0.00 61.79 60.65 3ag3 h SER 156 Cb 0.32 0.50 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 3ag3 h SER 156 CO 0.00 -0.26 -0.80 0.28 -0.53 0.00 0.00 176.83 175.52 3ag3 h SER 157 N -0.05 0.55 0.27 6.23 0.02 -1.09 0.10 113.55 119.59 3ag3 h SER 157 Ca 0.32 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3ag3 h SER 157 Cb 0.54 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3ag3 h SER 157 CO -0.74 1.15 -0.13 0.40 -1.14 0.00 0.00 176.83 176.37 3ag3 h ILE 158 N 0.29 0.74 -0.22 3.27 2.04 -0.54 0.31 117.51 123.41 3ag3 h ILE 158 Ca -0.05 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 3ag3 h ILE 158 Cb 1.40 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 3ag3 h ILE 158 CO 0.14 0.01 -0.10 -0.07 0.00 0.00 0.00 178.15 178.13 3ag3 h LEU 159 N -0.39 0.33 -0.53 1.44 3.38 -0.96 -1.65 115.31 116.92 3ag3 h LEU 159 Ca -0.04 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 3ag3 h LEU 159 Cb 0.30 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3ag3 h LEU 159 CO 0.06 0.47 -0.56 1.23 0.09 0.00 0.00 178.44 179.73 3ag3 h GLY 160 N 0.80 0.56 1.01 0.83 0.00 -0.73 -1.37 103.07 104.16 3ag3 h GLY 160 Ca 0.07 -0.66 0.01 0.00 0.00 0.00 0.00 47.33 46.74 3ag3 h GLY 160 CO 0.02 0.59 0.51 0.00 0.00 0.00 0.00 176.54 177.66 3ag3 h ALA 161 N 1.00 0.98 -0.41 3.60 0.00 0.09 -0.01 119.26 124.51 3ag3 h ALA 161 Ca 0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3ag3 h ALA 161 Cb 1.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3ag3 h ALA 161 CO 0.10 0.41 0.01 0.82 0.00 0.00 0.00 179.25 180.59 3ag3 h ILE 162 N 1.05 1.22 -0.08 0.00 2.04 -1.04 0.04 117.51 120.73 3ag3 h ILE 162 Ca 0.28 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 3ag3 h ILE 162 Cb -0.11 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3ag3 h ILE 162 CO -0.06 0.31 0.04 -1.13 0.00 0.00 0.00 178.15 177.31 3ag3 h ASN 163 N 0.62 0.11 -0.12 1.72 -0.73 -0.47 -1.46 115.58 115.25 3ag3 h ASN 163 Ca 0.13 -0.12 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 3ag3 h ASN 163 Cb 0.38 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.94 3ag3 h ASN 163 CO 0.01 0.20 0.05 -0.26 -0.37 0.00 0.00 177.43 177.06 3ag3 h PHE 164 N 0.01 0.18 -0.34 0.67 -1.00 -0.82 0.82 116.94 116.46 3ag3 h PHE 164 Ca 0.03 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 3ag3 h PHE 164 Cb 0.12 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 3ag3 h PHE 164 CO -0.03 0.27 0.21 0.82 -1.61 0.00 0.00 178.31 177.97 3ag3 h ILE 165 N 0.04 1.11 -0.45 -0.55 2.04 -0.93 0.39 117.51 119.17 3ag3 h ILE 165 Ca 0.04 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3ag3 h ILE 165 Cb 0.16 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3ag3 h ILE 165 CO -0.00 0.11 0.12 0.74 0.00 0.00 0.00 178.15 179.12 3ag3 h THR 166 N 0.44 1.23 -0.33 -0.27 2.02 -1.14 -0.45 112.91 114.42 3ag3 h THR 166 Ca 0.12 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 3ag3 h THR 166 Cb -0.00 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3ag3 h THR 166 CO -0.02 0.28 0.15 0.74 0.37 0.00 0.00 175.52 177.04 3ag3 h THR 167 N 0.59 1.16 -0.45 3.16 2.02 -0.55 0.53 112.91 119.37 3ag3 h THR 167 Ca 0.14 -0.47 -0.11 0.00 0.77 0.00 0.00 66.41 66.74 3ag3 h THR 167 Cb 0.30 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3ag3 h THR 167 CO -0.00 0.17 -0.16 0.40 0.37 0.00 0.00 175.52 176.30 3ag3 h ILE 168 N 0.39 1.27 0.04 3.11 2.04 -0.77 -0.51 117.51 123.09 3ag3 h ILE 168 Ca 0.11 -1.27 -0.23 0.00 1.00 0.00 0.00 64.86 64.47 3ag3 h ILE 168 Cb 0.13 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3ag3 h ILE 168 CO -0.01 0.43 -1.02 0.40 0.00 0.00 0.00 178.15 177.95 3ag3 h ILE 169 N 0.75 1.53 0.00 -0.67 1.08 -0.95 -3.40 117.51 115.85 3ag3 h ILE 169 Ca 0.11 -2.88 0.00 0.00 -0.39 0.00 0.00 64.86 61.70 3ag3 h ILE 169 Cb 0.68 2.68 0.00 0.00 -3.07 0.00 0.00 36.82 37.11 3ag3 h ILE 169 CO 0.05 0.84 -1.23 -3.20 -0.69 0.00 0.00 178.15 173.92 3ag3 n ASN 170 N -3.57 1.09 -0.99 1.72 5.15 0.17 -4.58 115.26 114.24 3ag3 n ASN 170 Ca -0.05 -0.41 -0.01 0.00 -0.60 0.00 0.00 54.58 53.50 3ag3 n ASN 170 Cb 0.90 1.37 0.20 0.00 -0.53 0.00 0.00 39.78 41.72 3ag3 n ASN 170 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3ag3 n MET 171 N -1.71 1.81 -2.38 1.20 2.81 -0.20 -5.02 117.12 113.63 3ag3 n MET 171 Ca -0.00 -3.28 -0.24 0.00 -1.81 0.00 0.00 57.70 52.36 3ag3 n MET 171 Cb 0.32 -1.76 0.07 0.00 -0.71 0.00 0.00 33.22 31.14 3ag3 n MET 171 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3ag3 s LYS 172 N -3.27 2.13 0.60 0.03 1.02 -1.26 -4.48 119.74 114.50 3ag3 s LYS 172 Ca 0.42 -0.56 -0.20 0.00 0.02 0.00 0.00 55.97 55.66 3ag3 s LYS 172 Cb 0.39 -2.27 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 3ag3 s LYS 172 CO -0.03 -1.18 1.33 -2.14 -0.92 0.00 0.00 175.35 172.41 3ag3 s PRO 173 N -5.12 2.84 0.46 -1.68 0.02 -1.26 -4.87 135.00 125.40 3ag3 s PRO 173 Ca 0.61 2.17 0.15 0.00 0.02 0.00 0.00 61.00 63.95 3ag3 s PRO 173 Cb -0.09 -2.06 1.08 0.00 0.02 0.00 0.00 34.50 33.45 3ag3 s PRO 173 CO 0.43 -1.40 2.03 -1.00 -0.33 0.00 0.00 177.00 176.72 3ag3 h PRO 174 N 1.01 0.00 0.00 5.54 0.13 -1.95 0.17 132.00 136.90 3ag3 h PRO 174 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3ag3 h PRO 174 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3ag3 h PRO 174 CO 0.55 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.47 3ag3 h ALA 175 N 1.85 1.00 -2.09 -0.56 0.00 -1.90 -3.45 119.26 114.12 3ag3 h ALA 175 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3ag3 h ALA 175 Cb 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 3ag3 h ALA 175 CO 0.02 0.00 0.63 1.41 0.00 0.00 0.00 179.25 181.31 3ag3 s MET 176 N -3.43 4.01 0.80 0.00 0.00 0.58 -4.97 119.30 116.30 3ag3 s MET 176 Ca 0.04 0.84 -0.09 0.00 0.00 0.00 0.00 55.69 56.48 3ag3 s MET 176 Cb 0.07 -3.73 0.12 0.00 0.00 0.00 0.00 34.83 31.29 3ag3 s MET 176 CO 0.60 -0.80 1.13 -1.54 0.00 0.00 0.00 175.02 174.42 3ag3 s SER 177 N 1.63 4.15 0.63 1.11 1.04 -1.26 -4.75 113.70 116.25 3ag3 s SER 177 Ca 0.39 0.31 0.39 0.00 0.48 0.00 0.00 55.95 57.52 3ag3 s SER 177 Cb -0.13 -0.70 2.12 0.00 0.10 0.00 0.00 66.02 67.41 3ag3 s SER 177 CO 0.14 -2.05 2.29 -0.61 0.98 0.00 0.00 173.24 173.99 3ag3 h GLN 178 N -0.99 0.00 -0.55 4.02 5.75 -1.96 -1.63 115.11 119.75 3ag3 h GLN 178 Ca -0.43 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.07 3ag3 h GLN 178 Cb 1.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.83 3ag3 h GLN 178 CO 0.51 0.01 0.00 0.66 -2.65 0.00 0.00 178.83 177.36 3ag3 n TYR 179 N -3.29 0.82 -0.81 3.99 4.01 -1.26 -2.63 117.16 117.98 3ag3 n TYR 179 Ca -0.03 -0.34 0.08 0.00 -0.16 0.00 0.00 57.90 57.45 3ag3 n TYR 179 Cb 0.11 -0.12 0.15 0.00 -0.31 0.00 0.00 39.34 39.17 3ag3 n TYR 179 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3ag3 n GLN 180 N 0.64 2.10 -3.97 -0.72 6.02 -0.62 -5.05 117.38 115.80 3ag3 n GLN 180 Ca 0.15 -2.44 -0.30 0.00 -0.01 0.00 0.00 57.00 54.41 3ag3 n GLN 180 Cb 0.53 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.25 3ag3 n GLN 180 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ag3 s THR 181 N -2.43 5.10 0.67 5.09 -4.23 -1.08 -4.89 115.64 113.88 3ag3 s THR 181 Ca 0.29 -0.57 -0.16 0.00 -1.18 0.00 0.00 61.69 60.06 3ag3 s THR 181 Cb 0.24 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.58 3ag3 s THR 181 CO 0.05 0.09 1.20 -2.84 -0.54 0.00 0.00 174.62 172.58 3ag3 s PRO 182 N -2.62 2.51 0.40 3.99 0.02 -1.26 -4.82 135.00 133.22 3ag3 s PRO 182 Ca 0.33 1.76 0.10 0.00 0.02 0.00 0.00 61.00 63.21 3ag3 s PRO 182 Cb -0.12 -1.88 0.89 0.00 0.02 0.00 0.00 34.50 33.40 3ag3 s PRO 182 CO 0.26 -1.55 1.96 -0.07 -0.33 0.00 0.00 177.00 177.28 3ag3 h LEU 183 N 0.17 0.52 -1.38 -5.54 3.38 -1.98 -1.35 115.31 109.14 3ag3 h LEU 183 Ca -0.49 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 3ag3 h LEU 183 Cb 1.29 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3ag3 h LEU 183 CO 0.52 0.32 -0.20 0.15 0.09 0.00 0.00 178.44 179.32 3ag3 h PHE 184 N 0.58 0.17 -0.35 1.13 3.57 -1.91 0.80 116.94 120.93 3ag3 h PHE 184 Ca 0.30 -0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.62 3ag3 h PHE 184 Cb 0.42 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 3ag3 h PHE 184 CO -0.00 0.36 -0.41 0.28 -2.23 0.00 0.00 178.31 176.30 3ag3 h VAL 185 N 0.15 1.28 -0.48 1.41 2.07 -1.62 -1.47 116.25 117.59 3ag3 h VAL 185 Ca 0.03 -1.59 -0.06 0.00 0.82 0.00 0.00 66.70 65.90 3ag3 h VAL 185 Cb 0.45 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3ag3 h VAL 185 CO 0.03 0.53 0.08 -0.50 0.02 0.00 0.00 177.57 177.73 3ag3 h TRP 186 N 0.70 0.84 -0.89 1.57 4.06 -1.05 -1.68 115.95 119.50 3ag3 h TRP 186 Ca 0.05 -0.12 0.09 0.00 2.06 0.00 0.00 58.89 60.97 3ag3 h TRP 186 Cb 1.00 -0.23 -0.06 0.00 -1.00 0.00 0.00 29.16 28.86 3ag3 h TRP 186 CO 0.06 0.77 0.58 0.66 -3.56 0.00 0.00 178.44 176.95 3ag3 h SER 187 N 0.66 0.83 -0.18 -3.49 4.64 -0.35 -1.35 113.55 114.32 3ag3 h SER 187 Ca 0.15 0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.34 3ag3 h SER 187 Cb 0.38 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3ag3 h SER 187 CO 0.01 0.50 -0.43 0.58 -0.87 0.00 0.00 176.83 176.62 3ag3 h VAL 188 N 0.93 1.33 -0.32 0.95 2.07 -1.04 -1.99 116.25 118.18 3ag3 h VAL 188 Ca 0.40 -1.68 0.03 0.00 0.82 0.00 0.00 66.70 66.28 3ag3 h VAL 188 Cb 0.34 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.99 3ag3 h VAL 188 CO -0.17 0.52 0.11 -0.03 0.02 0.00 0.00 177.57 178.02 3ag3 h MET 189 N 0.29 0.24 -0.39 1.57 -1.53 -1.02 -0.19 114.93 113.90 3ag3 h MET 189 Ca -0.00 -0.01 -0.11 0.00 -3.44 0.00 0.00 59.70 56.14 3ag3 h MET 189 Cb 1.04 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 32.03 3ag3 h MET 189 CO 0.10 0.16 -0.20 0.82 0.14 0.00 0.00 176.91 177.93 3ag3 h ILE 190 N 0.25 1.27 -0.83 1.77 2.04 -1.26 -1.04 117.51 119.70 3ag3 h ILE 190 Ca 0.14 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 3ag3 h ILE 190 Cb 0.11 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3ag3 h ILE 190 CO -0.14 0.43 0.47 0.74 0.00 0.00 0.00 178.15 179.64 3ag3 h THR 191 N 0.66 1.24 -0.10 -0.27 2.02 -1.10 -1.08 112.91 114.29 3ag3 h THR 191 Ca 0.10 -0.58 -0.15 0.00 0.77 0.00 0.00 66.41 66.55 3ag3 h THR 191 Cb 0.69 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3ag3 h THR 191 CO 0.05 0.27 -0.59 0.00 0.37 0.00 0.00 175.52 175.62 3ag3 h ALA 192 N 1.35 0.82 -0.44 6.16 0.00 -0.24 -0.14 119.26 126.78 3ag3 h ALA 192 Ca 0.29 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 3ag3 h ALA 192 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ag3 h ALA 192 CO -0.05 0.71 -0.22 0.28 0.00 0.00 0.00 179.25 179.97 3ag3 h VAL 193 N 0.24 1.27 -0.60 0.00 2.07 -0.43 -0.90 116.25 117.90 3ag3 h VAL 193 Ca -0.00 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.11 3ag3 h VAL 193 Cb 1.10 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 3ag3 h VAL 193 CO 0.10 0.47 0.21 -0.07 0.02 0.00 0.00 177.57 178.29 3ag3 h LEU 194 N 0.78 0.86 -0.10 2.57 3.38 -0.74 -2.38 115.31 119.68 3ag3 h LEU 194 Ca 0.10 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3ag3 h LEU 194 Cb 0.77 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3ag3 h LEU 194 CO 0.06 0.82 -0.12 -0.07 0.09 0.00 0.00 178.44 179.23 3ag3 h LEU 195 N 0.85 -0.37 -0.77 1.67 3.38 -0.79 -0.56 115.31 118.71 3ag3 h LEU 195 Ca 0.20 0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.35 3ag3 h LEU 195 Cb 0.26 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 3ag3 h LEU 195 CO -0.01 -0.16 0.39 0.25 0.09 0.00 0.00 178.44 179.00 3ag3 h LEU 196 N -0.15 0.49 0.00 1.67 5.85 -0.94 -1.80 115.31 120.43 3ag3 h LEU 196 Ca 0.08 0.07 -0.17 0.00 0.84 0.00 0.00 57.88 58.70 3ag3 h LEU 196 Cb 0.27 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3ag3 h LEU 196 CO -0.20 0.25 -1.02 -0.07 -0.34 0.00 0.00 178.44 177.06 3ag3 h LEU 197 N 0.62 0.00 0.09 2.25 3.38 -1.31 -3.40 115.31 116.94 3ag3 h LEU 197 Ca 0.40 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 58.00 3ag3 h LEU 197 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3ag3 h LEU 197 CO -0.31 0.73 -2.09 -1.54 0.09 0.00 0.00 178.44 175.31 3ag3 n SER 198 N -3.15 2.01 -0.28 -0.43 3.41 -0.23 -4.33 113.62 110.61 3ag3 n SER 198 Ca -0.04 0.14 0.06 0.00 -0.26 0.00 0.00 58.87 58.78 3ag3 n SER 198 Cb 0.86 -0.71 0.29 0.00 -0.26 0.00 0.00 64.21 64.39 3ag3 n SER 198 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ag3 h LEU 199 N 0.05 0.81 -1.31 1.04 3.38 -1.52 -1.99 115.31 115.77 3ag3 h LEU 199 Ca -0.45 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 3ag3 h LEU 199 Cb 2.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 3ag3 h LEU 199 CO 0.05 0.49 -0.29 -0.65 0.09 0.00 0.00 178.44 178.13 3ag3 h PRO 200 N 0.91 0.09 -0.39 1.13 0.11 -1.77 0.96 132.00 133.03 3ag3 h PRO 200 Ca 0.40 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.32 3ag3 h PRO 200 Cb 0.35 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 3ag3 h PRO 200 CO -0.16 0.38 -0.37 0.28 -0.21 0.00 0.00 178.00 177.92 3ag3 h VAL 201 N 0.08 1.27 -0.59 3.15 2.07 -1.57 -0.81 116.25 119.85 3ag3 h VAL 201 Ca 0.01 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 3ag3 h VAL 201 Cb 0.56 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3ag3 h VAL 201 CO 0.04 0.52 0.28 0.25 0.02 0.00 0.00 177.57 178.67 3ag3 h LEU 202 N 0.76 0.78 -0.92 2.57 5.85 -1.03 -1.28 115.31 122.03 3ag3 h LEU 202 Ca 0.07 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3ag3 h LEU 202 Cb 0.95 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 3ag3 h LEU 202 CO 0.09 0.70 0.59 0.00 -0.34 0.00 0.00 178.44 179.48 3ag3 h ALA 203 N 1.11 1.17 -0.07 1.25 0.00 -0.59 -0.10 119.26 122.03 3ag3 h ALA 203 Ca 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ag3 h ALA 203 Cb 0.13 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3ag3 h ALA 203 CO -0.02 0.59 0.02 0.00 0.00 0.00 0.00 179.25 179.84 3ag3 h ALA 204 N 1.32 0.09 -0.33 0.00 0.00 -0.73 -0.30 119.26 119.30 3ag3 h ALA 204 Ca 0.33 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ag3 h ALA 204 Cb -0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3ag3 h ALA 204 CO -0.07 -0.31 0.19 0.78 0.00 0.00 0.00 179.25 179.84 3ag3 h GLY 205 N -0.06 0.49 2.00 0.00 0.00 -0.71 -1.04 103.07 103.75 3ag3 h GLY 205 Ca 0.02 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 3ag3 h GLY 205 CO -0.00 0.21 -0.22 0.16 0.00 0.00 0.00 176.54 176.68 3ag3 h ILE 206 N 0.42 0.54 -0.24 2.60 3.07 -1.05 -0.57 117.51 122.28 3ag3 h ILE 206 Ca 0.12 -1.13 -0.10 0.00 1.55 0.00 0.00 64.86 65.30 3ag3 h ILE 206 Cb 0.04 1.78 -0.00 0.00 -0.27 0.00 0.00 36.82 38.37 3ag3 h ILE 206 CO -0.02 0.22 -0.23 0.74 -1.05 0.00 0.00 178.15 177.81 3ag3 h THR 207 N 0.00 1.32 -0.85 0.16 2.02 -0.68 -0.78 112.91 114.10 3ag3 h THR 207 Ca -0.00 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.80 3ag3 h THR 207 Cb 0.76 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 68.80 3ag3 h THR 207 CO 0.03 0.43 0.54 0.24 0.37 0.00 0.00 175.52 177.13 3ag3 h MET 208 N 0.28 1.13 -0.53 6.66 2.86 -0.92 0.08 114.93 124.49 3ag3 h MET 208 Ca 0.04 -0.08 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3ag3 h MET 208 Cb 0.78 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 32.15 3ag3 h MET 208 CO 0.06 0.77 0.30 1.25 1.06 0.00 0.00 176.91 180.34 3ag3 h LEU 209 N 1.16 0.46 -0.89 1.22 5.85 -0.89 0.17 115.31 122.39 3ag3 h LEU 209 Ca 0.31 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 3ag3 h LEU 209 Cb -0.10 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 3ag3 h LEU 209 CO -0.06 0.32 0.38 0.25 -0.34 0.00 0.00 178.44 178.99 3ag3 h LEU 210 N 0.58 1.07 -0.04 2.25 5.85 -0.48 -1.11 115.31 123.44 3ag3 h LEU 210 Ca 0.22 -0.13 -0.20 0.00 0.84 0.00 0.00 57.88 58.61 3ag3 h LEU 210 Cb 0.08 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3ag3 h LEU 210 CO -0.13 0.91 -0.95 0.71 -0.34 0.00 0.00 178.44 178.65 3ag3 h THR 211 N 1.17 1.65 -0.74 1.05 1.35 -0.76 -1.61 112.91 115.01 3ag3 h THR 211 Ca 0.28 -3.28 0.02 0.00 -0.55 0.00 0.00 66.41 62.88 3ag3 h THR 211 Cb 0.13 2.78 -0.04 0.00 -1.73 0.00 0.00 68.15 69.30 3ag3 h THR 211 CO -0.03 0.93 0.49 0.44 -0.25 0.00 0.00 175.52 177.09 3ag3 h ASP 212 N 0.00 0.82 0.87 5.36 3.45 -0.07 0.70 116.42 127.54 3ag3 h ASP 212 Ca -0.01 -0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.32 3ag3 h ASP 212 Cb 1.71 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 40.26 3ag3 h ASP 212 CO 0.12 0.58 -0.54 0.03 -1.57 0.00 0.00 179.24 177.87 3ag3 h ARG 213 N 0.96 0.00 0.00 3.56 3.08 -1.01 -3.37 114.38 117.60 3ag3 h ARG 213 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3ag3 h ARG 213 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3ag3 h ARG 213 CO -0.07 0.54 -0.10 0.09 -1.07 0.00 0.00 179.97 179.36 3ag3 n ASN 214 N -3.56 0.51 -0.16 7.04 3.02 -0.63 -4.78 115.26 116.70 3ag3 n ASN 214 Ca -0.00 -0.11 0.04 0.00 -0.03 0.00 0.00 54.58 54.48 3ag3 n ASN 214 Cb 0.62 0.32 0.06 0.00 -0.61 0.00 0.00 39.78 40.16 3ag3 n ASN 214 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ag3 n LEU 215 N -0.37 1.38 -1.18 3.41 4.77 0.21 -5.00 117.00 120.22 3ag3 n LEU 215 Ca 0.00 -1.96 -0.15 0.00 -0.03 0.00 0.00 56.01 53.86 3ag3 n LEU 215 Cb 0.00 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 40.84 3ag3 n LEU 215 CO 0.00 0.46 -0.15 0.59 -1.33 0.00 0.00 177.39 176.97 3ag3 n ASN 216 N -0.71 -4.85 -4.64 -1.43 3.02 -1.08 -4.97 115.26 100.60 3ag3 n ASN 216 Ca 0.07 0.38 -0.29 0.00 -0.03 0.00 0.00 54.58 54.71 3ag3 n ASN 216 Cb 0.57 -3.71 0.15 0.00 -0.61 0.00 0.00 39.78 36.18 3ag3 n ASN 216 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ag3 s THR 217 N -2.57 1.96 -0.27 3.41 -4.23 -1.17 -5.01 115.64 107.76 3ag3 s THR 217 Ca 0.00 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.73 3ag3 s THR 217 Cb 0.00 -2.73 0.50 0.00 1.34 0.00 0.00 72.50 71.61 3ag3 s THR 217 CO 0.00 0.00 1.09 0.35 -0.54 0.00 0.00 174.62 175.52 3ag3 n THR 218 N -3.88 1.23 0.18 3.99 -2.24 -1.26 -4.39 114.28 107.91 3ag3 n THR 218 Ca 0.08 -2.93 0.07 0.00 -2.27 0.00 0.00 64.05 59.00 3ag3 n THR 218 Cb 0.59 1.23 0.58 0.00 -2.10 0.00 0.00 70.33 70.64 3ag3 n THR 218 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3ag3 h PHE 219 N 2.65 0.14 -0.04 4.78 -1.00 -1.95 -3.01 116.94 118.52 3ag3 h PHE 219 Ca -0.14 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.65 3ag3 h PHE 219 Cb 1.26 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.77 3ag3 h PHE 219 CO 0.50 0.09 0.00 1.19 -1.61 0.00 0.00 178.31 178.48 3ag3 n PHE 220 N -4.52 0.08 -3.97 -0.55 3.72 -1.26 -1.65 117.46 109.31 3ag3 n PHE 220 Ca -0.01 -0.70 -0.33 0.00 -0.05 0.00 0.00 57.45 56.35 3ag3 n PHE 220 Cb 0.10 -0.10 -0.14 0.00 -0.94 0.00 0.00 39.48 38.40 3ag3 n PHE 220 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ag3 s ASP 221 N -1.74 4.74 0.61 4.37 -1.08 -1.14 -2.99 116.67 119.44 3ag3 s ASP 221 Ca 0.15 -1.54 0.31 0.00 -0.52 0.00 0.00 52.55 50.95 3ag3 s ASP 221 Cb 0.13 -1.65 1.71 0.00 -1.46 0.00 0.00 42.92 41.65 3ag3 s ASP 221 CO 0.03 -0.28 2.07 -0.65 0.52 0.00 0.00 175.17 176.86 3ag3 h PRO 222 N 7.85 0.00 -0.04 4.34 0.11 -1.85 0.41 132.00 142.82 3ag3 h PRO 222 Ca -0.17 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.90 3ag3 h PRO 222 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 3ag3 h PRO 222 CO 0.52 0.00 -0.16 0.00 -0.21 0.00 0.00 178.00 178.15 3ag3 h ALA 223 N 1.68 1.66 -0.12 -0.75 0.00 -1.94 -0.87 119.26 118.92 3ag3 h ALA 223 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ag3 h ALA 223 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ag3 h ALA 223 CO -0.00 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.91 3ag3 n GLY 224 N -1.00 0.80 0.24 0.00 0.00 -0.24 -4.91 105.19 100.08 3ag3 n GLY 224 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3ag3 n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 225 N 1.31 0.93 2.53 -0.02 0.00 -0.33 -4.96 105.19 104.65 3ag3 n GLY 225 Ca 0.17 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 3ag3 n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 226 N -2.12 0.38 3.03 -0.02 0.00 -0.03 -4.90 105.19 101.53 3ag3 n GLY 226 Ca 0.00 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 3ag3 n GLY 226 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag3 s ASP 227 N -3.73 0.12 0.58 1.61 3.68 -0.66 -3.32 116.67 114.96 3ag3 s ASP 227 Ca 0.44 0.50 0.27 0.00 2.13 0.00 0.00 52.55 55.89 3ag3 s ASP 227 Cb -0.02 1.13 1.64 0.00 -1.45 0.00 0.00 42.92 44.22 3ag3 s ASP 227 CO 0.30 -0.27 2.13 -0.65 0.13 0.00 0.00 175.17 176.80 3ag3 h PRO 228 N 8.19 0.00 0.00 4.34 0.11 -1.82 -1.17 132.00 141.65 3ag3 h PRO 228 Ca -0.18 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.91 3ag3 h PRO 228 Cb 1.14 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ag3 h PRO 228 CO 0.21 0.00 -0.11 0.82 -0.21 0.00 0.00 178.00 178.71 3ag3 h ILE 229 N 0.00 0.30 -0.51 4.15 1.08 -1.92 -2.41 117.51 118.20 3ag3 h ILE 229 Ca 0.07 -0.75 -0.06 0.00 -0.39 0.00 0.00 64.86 63.74 3ag3 h ILE 229 Cb 0.38 1.58 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 3ag3 h ILE 229 CO -0.00 0.11 0.10 0.25 -0.69 0.00 0.00 178.15 177.92 3ag3 h LEU 230 N 0.00 0.80 -0.62 1.44 5.85 -1.56 -1.49 115.31 119.74 3ag3 h LEU 230 Ca -0.00 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.53 3ag3 h LEU 230 Cb 0.57 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3ag3 h LEU 230 CO 0.01 0.84 0.32 0.22 -0.34 0.00 0.00 178.44 179.50 3ag3 h TYR 231 N 0.72 0.59 -0.22 1.25 5.03 -1.53 -2.13 116.97 120.68 3ag3 h TYR 231 Ca 0.16 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.51 3ag3 h TYR 231 Cb 0.37 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 3ag3 h TYR 231 CO 0.03 0.27 0.09 1.96 -1.32 0.00 0.00 178.16 179.19 3ag3 h GLN 232 N 0.60 0.20 -0.69 1.82 4.20 -1.31 0.41 115.11 120.34 3ag3 h GLN 232 Ca 0.28 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.04 3ag3 h GLN 232 Cb 0.20 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 3ag3 h GLN 232 CO -0.19 0.13 0.38 0.45 -0.67 0.00 0.00 178.83 178.93 3ag3 h HIS 233 N 0.20 0.70 -0.32 2.96 3.86 -0.91 -0.24 115.15 121.41 3ag3 h HIS 233 Ca 0.09 0.03 -0.17 0.00 -1.16 0.00 0.00 60.37 59.15 3ag3 h HIS 233 Cb 0.04 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.29 3ag3 h HIS 233 CO -0.11 0.33 -0.47 -0.07 0.86 0.00 0.00 177.93 178.47 3ag3 h LEU 234 N 0.70 0.97 0.19 2.43 3.38 -1.00 0.41 115.31 122.40 3ag3 h LEU 234 Ca 0.31 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3ag3 h LEU 234 Cb 0.20 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3ag3 h LEU 234 CO -0.19 1.29 -0.11 0.15 0.09 0.00 0.00 178.44 179.68 3ag3 h PHE 235 N 0.68 -0.28 0.00 1.13 3.57 -0.13 -3.14 116.94 118.77 3ag3 h PHE 235 Ca 0.03 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3ag3 h PHE 235 Cb 1.08 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 3ag3 h PHE 235 CO 0.07 -0.17 -0.15 -1.49 -2.23 0.00 0.00 178.31 174.34 3ag3 h TRP 236 N -0.28 0.00 -0.38 0.41 4.06 -0.96 0.36 115.95 119.15 3ag3 h TRP 236 Ca -0.02 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.97 3ag3 h TRP 236 Cb 0.23 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 3ag3 h TRP 236 CO -0.08 0.15 0.26 0.35 -3.56 0.00 0.00 178.44 175.56 3ag3 h PHE 237 N 0.00 0.36 0.17 0.49 3.04 -0.90 -0.32 116.94 119.79 3ag3 h PHE 237 Ca -0.00 0.01 -0.32 0.00 3.98 0.00 0.00 57.97 61.63 3ag3 h PHE 237 Cb 0.88 -0.12 0.01 0.00 2.56 0.00 0.00 35.95 39.27 3ag3 h PHE 237 CO 0.00 0.21 -1.55 0.35 -2.02 0.00 0.00 178.31 175.30 3ag3 h PHE 238 N 0.38 0.67 -0.03 0.41 3.57 -1.39 -3.39 116.94 117.15 3ag3 h PHE 238 Ca 0.16 -0.49 -0.10 0.00 3.53 0.00 0.00 57.97 61.07 3ag3 h PHE 238 Cb 0.17 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3ag3 h PHE 238 CO -0.00 1.50 -0.45 0.78 -2.23 0.00 0.00 178.31 177.91 3ag3 h GLY 239 N 1.01 0.07 0.46 2.40 0.00 0.38 -0.50 103.07 106.90 3ag3 h GLY 239 Ca -0.26 -0.07 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 3ag3 h GLY 239 CO 0.20 0.06 -0.25 0.84 0.00 0.00 0.00 176.54 177.40 3ag3 h HIS 240 N 0.06 0.26 -0.87 5.60 -0.00 -1.30 -2.50 115.15 116.40 3ag3 h HIS 240 Ca 0.00 -0.14 0.19 0.00 -0.00 0.00 0.00 60.37 60.42 3ag3 h HIS 240 Cb 0.83 -0.03 -0.11 0.00 -0.00 0.00 0.00 27.41 28.10 3ag3 h HIS 240 CO 0.00 0.93 0.40 -1.35 -0.00 0.00 0.00 177.93 177.91 3ag3 h PRO 241 N -0.48 0.47 -0.94 5.26 0.11 -1.55 0.11 132.00 134.98 3ag3 h PRO 241 Ca -0.03 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.19 3ag3 h PRO 241 Cb 0.99 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 31.90 3ag3 h PRO 241 CO 0.05 0.31 0.56 1.49 -0.21 0.00 0.00 178.00 180.20 3ag3 h GLU 242 N 0.49 0.80 -0.57 1.05 4.57 -0.93 0.16 114.58 120.13 3ag3 h GLU 242 Ca 0.51 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.54 3ag3 h GLU 242 Cb 0.87 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.26 3ag3 h GLU 242 CO -0.46 0.53 -0.06 -0.39 -1.18 0.00 0.00 179.01 177.45 3ag3 h VAL 243 N 0.82 1.27 0.00 0.32 -1.51 -0.32 -0.08 116.25 116.75 3ag3 h VAL 243 Ca 0.50 -1.22 -0.08 0.00 -1.23 0.00 0.00 66.70 64.67 3ag3 h VAL 243 Cb 0.62 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 3ag3 h VAL 243 CO -0.32 0.44 -0.38 1.88 -1.23 0.00 0.00 177.57 177.96 3ag3 h TYR 244 N 0.94 0.00 -0.06 5.19 0.05 -1.13 -2.62 116.97 119.35 3ag3 h TYR 244 Ca 0.16 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.85 3ag3 h TYR 244 Cb 0.62 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 3ag3 h TYR 244 CO 0.04 0.38 -0.38 0.82 -1.05 0.00 0.00 178.16 177.97 3ag3 h ILE 245 N 0.00 1.28 -0.08 -2.88 2.04 -0.25 0.13 117.51 117.76 3ag3 h ILE 245 Ca -0.00 -1.37 -0.09 0.00 1.00 0.00 0.00 64.86 64.40 3ag3 h ILE 245 Cb 0.68 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.41 3ag3 h ILE 245 CO 0.05 0.40 -0.37 -0.07 0.00 0.00 0.00 178.15 178.15 3ag3 h LEU 246 N 0.10 0.17 0.03 1.44 3.38 -0.69 -3.32 115.31 116.41 3ag3 h LEU 246 Ca 0.01 -0.06 -0.35 0.00 0.09 0.00 0.00 57.88 57.57 3ag3 h LEU 246 Cb 0.71 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 3ag3 h LEU 246 CO 0.05 0.53 -2.09 0.00 0.09 0.00 0.00 178.44 177.03 3ag3 n ILE 247 N -4.07 1.57 -0.10 1.22 0.13 -0.96 -4.59 119.36 112.57 3ag3 n ILE 247 Ca -0.01 -0.74 -0.06 0.00 -1.10 0.00 0.00 62.75 60.83 3ag3 n ILE 247 Cb 0.44 -1.13 0.01 0.00 -0.84 0.00 0.00 39.64 38.12 3ag3 n ILE 247 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 3ag3 h LEU 248 N 0.02 0.07 -2.38 9.51 3.38 -0.85 0.32 115.31 125.38 3ag3 h LEU 248 Ca -0.44 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 3ag3 h LEU 248 Cb 2.06 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.86 3ag3 h LEU 248 CO 0.04 0.07 -0.03 -0.65 0.09 0.00 0.00 178.44 177.96 3ag3 h PRO 249 N 0.22 0.00 -0.08 1.13 0.11 -1.78 -1.09 132.00 130.51 3ag3 h PRO 249 Ca 0.16 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.07 3ag3 h PRO 249 Cb 0.16 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.28 3ag3 h PRO 249 CO -0.19 0.03 -0.72 0.78 -0.21 0.00 0.00 178.00 177.70 3ag3 h GLY 250 N 0.46 0.70 1.25 -0.55 0.00 -1.22 -0.17 103.07 103.54 3ag3 h GLY 250 Ca -0.00 -1.07 -0.05 0.00 0.00 0.00 0.00 47.33 46.21 3ag3 h GLY 250 CO 0.00 0.95 0.20 0.74 0.00 0.00 0.00 176.54 178.43 3ag3 h PHE 251 N 0.28 0.97 -0.38 5.60 0.05 0.71 0.24 116.94 124.41 3ag3 h PHE 251 Ca -0.07 -0.08 -0.09 0.00 3.82 0.00 0.00 57.97 61.55 3ag3 h PHE 251 Cb 1.38 -0.29 -0.01 0.00 2.00 0.00 0.00 35.95 39.03 3ag3 h PHE 251 CO 0.11 0.78 -0.13 0.78 -0.18 0.00 0.00 178.31 179.67 3ag3 h GLY 252 N 1.03 0.82 1.18 -1.45 0.00 -0.94 -0.68 103.07 103.02 3ag3 h GLY 252 Ca 0.21 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 3ag3 h GLY 252 CO -0.01 0.64 0.35 -0.33 0.00 0.00 0.00 176.54 177.19 3ag3 h MET 253 N 0.55 1.06 -0.65 4.80 2.86 -0.30 -2.39 114.93 120.88 3ag3 h MET 253 Ca 0.09 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3ag3 h MET 253 Cb 0.66 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 3ag3 h MET 253 CO 0.04 0.82 0.28 0.82 1.06 0.00 0.00 176.91 179.93 3ag3 h ILE 254 N 1.05 1.23 -0.86 -1.22 1.08 -0.28 0.13 117.51 118.64 3ag3 h ILE 254 Ca 0.26 -0.70 -0.03 0.00 -0.39 0.00 0.00 64.86 64.00 3ag3 h ILE 254 Cb 0.11 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 3ag3 h ILE 254 CO -0.03 0.28 0.42 0.28 -0.69 0.00 0.00 178.15 178.41 3ag3 h SER 255 N 0.90 1.11 -0.30 1.72 0.02 -0.76 -0.32 113.55 115.92 3ag3 h SER 255 Ca 0.22 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 3ag3 h SER 255 Cb 0.18 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3ag3 h SER 255 CO -0.02 0.93 -0.13 0.45 -1.14 0.00 0.00 176.83 176.92 3ag3 h HIS 256 N 1.22 0.71 -0.29 3.45 3.86 -0.79 -2.34 115.15 120.97 3ag3 h HIS 256 Ca 0.30 -0.17 -0.08 0.00 -1.16 0.00 0.00 60.37 59.25 3ag3 h HIS 256 Cb 0.11 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.40 3ag3 h HIS 256 CO 0.01 0.84 -0.15 0.82 0.86 0.00 0.00 177.93 180.31 3ag3 h ILE 257 N 0.37 1.30 -0.46 2.45 2.04 -0.27 -1.12 117.51 121.81 3ag3 h ILE 257 Ca 0.07 -1.26 0.01 0.00 1.00 0.00 0.00 64.86 64.68 3ag3 h ILE 257 Cb 0.65 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 3ag3 h ILE 257 CO 0.04 0.40 0.30 0.58 0.00 0.00 0.00 178.15 179.47 3ag3 h VAL 258 N 0.35 1.10 -0.19 1.67 2.07 -1.11 -0.39 116.25 119.76 3ag3 h VAL 258 Ca 0.06 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3ag3 h VAL 258 Cb 0.68 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3ag3 h VAL 258 CO 0.04 0.11 0.11 0.74 0.02 0.00 0.00 177.57 178.59 3ag3 h THR 259 N 0.61 1.10 -0.10 2.57 2.02 -1.35 -1.20 112.91 116.56 3ag3 h THR 259 Ca 0.17 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3ag3 h THR 259 Cb -0.06 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3ag3 h THR 259 CO -0.05 0.09 0.04 0.22 0.37 0.00 0.00 175.52 176.20 3ag3 h TYR 260 N 0.20 0.16 -0.00 3.16 3.20 -0.80 -1.61 116.97 121.28 3ag3 h TYR 260 Ca 0.07 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3ag3 h TYR 260 Cb 0.05 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3ag3 h TYR 260 CO -0.04 0.26 -0.15 0.66 -1.64 0.00 0.00 178.16 177.24 3ag3 n TYR 261 N -4.92 0.00 1.48 -3.82 4.01 -0.19 -1.15 117.16 112.58 3ag3 n TYR 261 Ca -0.06 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.83 3ag3 n TYR 261 Cb 0.11 -0.25 0.63 0.00 -0.31 0.00 0.00 39.34 39.52 3ag3 n TYR 261 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3ag3 n SER 262 N -1.14 0.57 -0.37 7.72 7.64 -0.46 -0.76 113.62 126.82 3ag3 n SER 262 Ca 0.12 -0.76 -0.05 0.00 1.01 0.00 0.00 58.87 59.19 3ag3 n SER 262 Cb 0.30 -0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.43 3ag3 n SER 262 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ag3 n GLY 263 N 1.23 0.72 3.94 0.23 0.00 -0.30 -2.45 105.19 108.56 3ag3 n GLY 263 Ca 0.16 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 3ag3 n GLY 263 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ag3 s LYS 264 N -2.50 3.51 0.09 1.61 -0.14 -0.62 -4.88 119.74 116.80 3ag3 s LYS 264 Ca 0.00 -0.38 0.26 0.00 -1.36 0.00 0.00 55.97 54.49 3ag3 s LYS 264 Cb 0.00 -2.79 0.67 0.00 -1.68 0.00 0.00 37.83 34.03 3ag3 s LYS 264 CO 0.00 0.33 1.57 0.36 -0.76 0.00 0.00 175.35 176.85 3ag3 n LYS 265 N -1.05 0.16 -3.49 1.68 2.85 -1.26 -4.57 118.16 112.48 3ag3 n LYS 265 Ca -0.05 0.08 -0.11 0.00 -1.05 0.00 0.00 58.31 57.17 3ag3 n LYS 265 Cb 0.55 -1.63 -0.02 0.00 -0.65 0.00 0.00 35.03 33.27 3ag3 n LYS 265 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3ag3 s GLU 266 N -3.08 1.31 0.70 -1.58 -1.05 -1.26 -4.86 118.70 108.87 3ag3 s GLU 266 Ca 0.10 -0.56 -0.14 0.00 -0.15 0.00 0.00 54.97 54.22 3ag3 s GLU 266 Cb 0.15 0.58 0.02 0.00 -0.44 0.00 0.00 34.13 34.44 3ag3 s GLU 266 CO 0.65 -0.57 1.11 -1.25 0.95 0.00 0.00 175.26 176.15 3ag3 s PRO 267 N -3.78 2.61 0.29 -4.83 0.04 -1.26 -4.95 135.00 123.12 3ag3 s PRO 267 Ca 0.02 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 3ag3 s PRO 267 Cb -0.01 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 3ag3 s PRO 267 CO -0.11 -1.39 1.19 0.12 0.04 0.00 0.00 177.00 176.85 3ag3 s PHE 268 N -2.49 3.37 -0.95 0.56 5.36 -1.26 -4.06 117.98 118.50 3ag3 s PHE 268 Ca 0.65 1.56 -0.02 0.00 -0.96 0.00 0.00 56.93 58.16 3ag3 s PHE 268 Cb -0.20 -3.44 0.00 0.00 -0.34 0.00 0.00 43.02 39.04 3ag3 s PHE 268 CO 0.46 -1.10 0.81 0.41 -1.46 0.00 0.00 175.22 174.34 3ag3 n GLY 269 N 1.19 -0.17 0.25 13.12 0.00 -1.26 -4.79 105.19 113.52 3ag3 n GLY 269 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.01 3ag3 n GLY 269 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ag3 h TYR 270 N -1.66 -0.26 0.00 1.61 3.20 -1.99 -0.10 116.97 117.77 3ag3 h TYR 270 Ca -0.44 0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.37 3ag3 h TYR 270 Cb 1.27 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.74 3ag3 h TYR 270 CO 0.35 -0.26 -0.53 0.52 -1.64 0.00 0.00 178.16 176.60 3ag3 h MET 271 N 0.03 0.00 -0.32 1.82 2.86 -1.96 -1.30 114.93 116.06 3ag3 h MET 271 Ca 0.33 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.90 3ag3 h MET 271 Cb 0.52 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3ag3 h MET 271 CO -0.65 0.53 -0.09 0.78 1.06 0.00 0.00 176.91 178.54 3ag3 h GLY 272 N 2.63 0.57 1.37 8.32 0.00 -1.55 -1.09 103.07 113.32 3ag3 h GLY 272 Ca -0.01 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 3ag3 h GLY 272 CO 0.07 0.36 0.03 -0.33 0.00 0.00 0.00 176.54 176.66 3ag3 h MET 273 N 0.50 0.78 0.44 4.80 2.07 0.04 -0.44 114.93 123.12 3ag3 h MET 273 Ca 0.10 -0.19 -0.02 0.00 -2.07 0.00 0.00 59.70 57.51 3ag3 h MET 273 Cb 0.46 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.10 3ag3 h MET 273 CO 0.03 0.77 -0.21 0.28 1.07 0.00 0.00 176.91 178.84 3ag3 h VAL 274 N 0.73 0.56 -0.89 -2.22 2.07 -1.29 -1.64 116.25 113.58 3ag3 h VAL 274 Ca 0.15 -0.25 0.10 0.00 0.82 0.00 0.00 66.70 67.52 3ag3 h VAL 274 Cb 0.41 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 3ag3 h VAL 274 CO 0.01 0.05 0.53 -0.25 0.02 0.00 0.00 177.57 177.93 3ag3 h TRP 275 N -0.74 0.96 -0.27 1.57 7.01 -1.18 -0.76 115.95 122.55 3ag3 h TRP 275 Ca -0.06 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.93 3ag3 h TRP 275 Cb 0.52 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 3ag3 h TRP 275 CO -0.01 0.39 -0.01 0.00 -2.79 0.00 0.00 178.44 176.02 3ag3 h ALA 276 N 1.48 0.36 -0.40 2.65 0.00 -0.89 0.23 119.26 122.70 3ag3 h ALA 276 Ca 0.43 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3ag3 h ALA 276 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ag3 h ALA 276 CO -0.25 0.11 -0.27 0.52 0.00 0.00 0.00 179.25 179.35 3ag3 h MET 277 N 0.26 0.85 -0.84 0.00 2.86 -1.01 -1.09 114.93 115.96 3ag3 h MET 277 Ca 0.08 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 3ag3 h MET 277 Cb 0.44 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 3ag3 h MET 277 CO 0.02 1.02 0.45 0.52 1.06 0.00 0.00 176.91 179.98 3ag3 h MET 278 N 0.73 1.17 -0.46 1.72 2.07 -0.94 -1.45 114.93 117.77 3ag3 h MET 278 Ca 0.09 -0.14 -0.12 0.00 -2.07 0.00 0.00 59.70 57.45 3ag3 h MET 278 Cb 0.82 -0.23 -0.01 0.00 -1.87 0.00 0.00 31.60 30.31 3ag3 h MET 278 CO 0.07 0.86 -0.19 0.77 1.07 0.00 0.00 176.91 179.49 3ag3 h SER 279 N 1.18 0.98 0.08 1.22 0.02 -0.30 -0.85 113.55 115.88 3ag3 h SER 279 Ca 0.29 -0.39 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 3ag3 h SER 279 Cb 0.04 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3ag3 h SER 279 CO -0.05 1.15 -0.24 0.40 -1.14 0.00 0.00 176.83 176.95 3ag3 h ILE 280 N 0.80 1.24 -0.06 3.27 2.04 -1.11 -0.38 117.51 123.31 3ag3 h ILE 280 Ca 0.11 -1.11 -0.15 0.00 1.00 0.00 0.00 64.86 64.71 3ag3 h ILE 280 Cb 0.77 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 3ag3 h ILE 280 CO 0.06 0.34 -0.64 1.23 0.00 0.00 0.00 178.15 179.14 3ag3 h GLY 281 N 0.96 0.25 0.12 5.37 0.00 -0.93 0.38 103.07 109.21 3ag3 h GLY 281 Ca 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 3ag3 h GLY 281 CO 0.04 0.29 -0.01 -2.75 0.00 0.00 0.00 176.54 174.11 3ag3 h PHE 282 N 0.16 -0.02 -0.41 5.60 3.57 -0.95 -3.02 116.94 121.87 3ag3 h PHE 282 Ca -0.01 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.56 3ag3 h PHE 282 Cb 1.16 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 3ag3 h PHE 282 CO 0.02 0.76 0.28 -0.07 -2.23 0.00 0.00 178.31 177.07 3ag3 h LEU 283 N -0.90 0.19 -0.78 0.59 3.38 -1.07 -2.09 115.31 114.64 3ag3 h LEU 283 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ag3 h LEU 283 Cb 0.79 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3ag3 h LEU 283 CO 0.00 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.27 3ag3 n GLY 284 N -1.55 -0.82 0.46 0.83 0.00 0.12 -1.48 105.19 102.75 3ag3 n GLY 284 Ca 0.06 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3ag3 n GLY 284 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ag3 n PHE 285 N -1.96 0.00 -1.42 1.61 3.72 -0.78 -3.50 117.46 115.12 3ag3 n PHE 285 Ca -0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 3ag3 n PHE 285 Cb 0.06 -0.04 0.12 0.00 -0.94 0.00 0.00 39.48 38.68 3ag3 n PHE 285 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3ag3 n ILE 286 N -0.04 1.53 -0.16 4.37 -5.35 -0.55 -4.68 119.36 114.48 3ag3 n ILE 286 Ca 0.12 -2.02 0.00 0.00 -0.27 0.00 0.00 62.75 60.59 3ag3 n ILE 286 Cb 0.42 -0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.28 3ag3 n ILE 286 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3ag3 n VAL 287 N -1.02 0.29 0.27 7.28 0.24 -1.24 -4.88 118.33 119.27 3ag3 n VAL 287 Ca 0.13 -0.57 0.11 0.00 -2.04 0.00 0.00 64.34 61.97 3ag3 n VAL 287 Cb 0.69 0.96 0.73 0.00 -1.47 0.00 0.00 33.84 34.75 3ag3 n VAL 287 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 3ag3 h TRP 288 N 0.00 0.00 0.00 6.34 0.09 -1.84 -2.18 115.95 118.36 3ag3 h TRP 288 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3ag3 h TRP 288 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.49 3ag3 h TRP 288 CO 0.00 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.56 3ag3 n ALA 289 N -2.44 2.06 0.33 0.11 0.00 -1.26 -1.95 120.51 117.37 3ag3 n ALA 289 Ca -0.03 -0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.36 3ag3 n ALA 289 Cb 0.12 -1.25 0.20 0.00 0.00 0.00 0.00 19.45 18.53 3ag3 n ALA 289 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3ag3 n HIS 290 N -1.01 0.00 1.40 0.00 1.44 -0.82 -0.99 115.22 115.25 3ag3 n HIS 290 Ca 0.11 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.93 3ag3 n HIS 290 Cb 0.05 -0.49 0.42 0.00 0.12 0.00 0.00 29.99 30.09 3ag3 n HIS 290 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3ag3 n HIS 291 N -1.49 0.16 -2.23 -1.40 8.25 -0.82 -4.15 115.22 113.54 3ag3 n HIS 291 Ca 0.02 -0.08 0.03 0.00 -0.26 0.00 0.00 57.72 57.44 3ag3 n HIS 291 Cb 0.11 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.26 3ag3 n HIS 291 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3ag3 n MET 292 N 0.07 0.19 0.08 -0.41 2.00 -0.16 -4.87 117.12 114.03 3ag3 n MET 292 Ca 0.16 -1.86 0.10 0.00 0.00 0.00 0.00 57.70 56.10 3ag3 n MET 292 Cb 0.27 -0.34 0.42 0.00 0.00 0.00 0.00 33.22 33.58 3ag3 n MET 292 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3ag3 n PHE 293 N 0.15 0.51 -0.40 2.03 3.72 -1.22 -2.46 117.46 119.78 3ag3 n PHE 293 Ca 0.06 0.20 0.09 0.00 -0.05 0.00 0.00 57.45 57.75 3ag3 n PHE 293 Cb 0.97 -0.82 0.28 0.00 -0.94 0.00 0.00 39.48 38.96 3ag3 n PHE 293 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3ag3 n THR 294 N -1.96 1.24 1.13 4.37 -2.24 -1.26 -4.54 114.28 111.02 3ag3 n THR 294 Ca 0.03 -1.09 0.14 0.00 -2.27 0.00 0.00 64.05 60.86 3ag3 n THR 294 Cb 0.20 0.38 0.63 0.00 -2.10 0.00 0.00 70.33 69.44 3ag3 n THR 294 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3ag3 n VAL 295 N 1.12 0.00 0.00 2.28 0.24 -1.03 -4.90 118.33 116.05 3ag3 n VAL 295 Ca 0.21 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 3ag3 n VAL 295 Cb 0.64 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 3ag3 n VAL 295 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ag3 n GLY 296 N 1.44 0.83 3.94 7.63 0.00 -1.26 -5.12 105.19 112.63 3ag3 n GLY 296 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 3ag3 n GLY 296 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ag3 s MET 297 N 0.35 3.44 0.57 1.61 1.00 -1.26 -5.06 119.30 119.95 3ag3 s MET 297 Ca 0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 55.69 54.96 3ag3 s MET 297 Cb 0.00 -2.99 -0.06 0.00 0.00 0.00 0.00 34.83 31.78 3ag3 s MET 297 CO 0.00 0.55 0.99 -0.25 0.00 0.00 0.00 175.02 176.31 3ag3 n ASP 298 N -0.26 0.97 -0.00 3.03 8.00 -1.26 -4.79 116.55 122.24 3ag3 n ASP 298 Ca -0.06 0.86 -0.01 0.00 0.71 0.00 0.00 54.79 56.28 3ag3 n ASP 298 Cb 0.53 -1.39 0.26 0.00 -0.02 0.00 0.00 41.12 40.50 3ag3 n ASP 298 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3ag3 h VAL 299 N 0.74 1.22 -0.34 2.53 3.04 -1.98 -1.62 116.25 119.83 3ag3 h VAL 299 Ca -0.48 -0.95 -0.17 0.00 -1.01 0.00 0.00 66.70 64.09 3ag3 h VAL 299 Cb 1.35 1.07 -0.00 0.00 -2.01 0.00 0.00 31.29 31.70 3ag3 h VAL 299 CO 0.52 0.32 -0.44 0.44 -1.01 0.00 0.00 177.57 177.39 3ag3 h ASP 300 N 0.49 0.99 -0.47 3.17 3.32 -1.99 0.13 116.42 122.06 3ag3 h ASP 300 Ca 0.10 -0.49 0.03 0.00 0.02 0.00 0.00 57.03 56.68 3ag3 h ASP 300 Cb 0.44 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 3ag3 h ASP 300 CO 0.02 1.28 0.26 0.74 -1.72 0.00 0.00 179.24 179.82 3ag3 h THR 301 N 0.71 1.01 -0.91 0.35 2.02 -1.83 -0.89 112.91 113.36 3ag3 h THR 301 Ca 0.04 -0.18 0.11 0.00 0.77 0.00 0.00 66.41 67.16 3ag3 h THR 301 Cb 1.05 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 3ag3 h THR 301 CO 0.10 0.09 0.59 0.03 0.37 0.00 0.00 175.52 176.71 3ag3 h ARG 302 N 0.51 0.83 -0.36 6.66 3.08 -1.01 -0.71 114.38 123.38 3ag3 h ARG 302 Ca 0.20 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.10 3ag3 h ARG 302 Cb 0.06 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3ag3 h ARG 302 CO -0.11 0.55 -0.16 0.00 -1.07 0.00 0.00 179.97 179.18 3ag3 h ALA 303 N 1.56 0.51 -0.05 0.04 0.00 -0.34 -2.04 119.26 118.94 3ag3 h ALA 303 Ca 0.44 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ag3 h ALA 303 Cb 0.51 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ag3 h ALA 303 CO -0.20 0.42 0.03 -0.92 0.00 0.00 0.00 179.25 178.58 3ag3 h TYR 304 N 0.54 0.07 -0.00 0.00 3.20 -0.90 -1.98 116.97 117.90 3ag3 h TYR 304 Ca 0.08 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 3ag3 h TYR 304 Cb 0.69 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 3ag3 h TYR 304 CO 0.06 0.08 -0.33 0.74 -1.64 0.00 0.00 178.16 177.07 3ag3 h PHE 305 N 0.04 0.01 0.21 -3.82 0.04 -1.04 -1.61 116.94 110.77 3ag3 h PHE 305 Ca 0.02 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 3ag3 h PHE 305 Cb 0.03 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 3ag3 h PHE 305 CO -0.06 0.33 -0.10 1.15 -0.60 0.00 0.00 178.31 179.03 3ag3 h THR 306 N 0.01 0.87 -0.34 -1.55 2.02 -1.30 -1.89 112.91 110.72 3ag3 h THR 306 Ca -0.00 -0.62 0.04 0.00 0.77 0.00 0.00 66.41 66.60 3ag3 h THR 306 Cb 0.58 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.18 3ag3 h THR 306 CO 0.04 0.14 0.09 0.28 0.37 0.00 0.00 175.52 176.44 3ag3 h SER 307 N -0.61 0.07 -0.38 4.18 0.02 -0.98 -2.20 113.55 113.66 3ag3 h SER 307 Ca -0.03 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 3ag3 h SER 307 Cb 0.44 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 3ag3 h SER 307 CO 0.05 0.08 -0.07 0.00 -1.14 0.00 0.00 176.83 175.74 3ag3 h ALA 308 N 1.24 0.52 -0.39 3.77 0.00 -1.36 -2.39 119.26 120.65 3ag3 h ALA 308 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ag3 h ALA 308 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ag3 h ALA 308 CO -0.19 0.36 0.25 1.15 0.00 0.00 0.00 179.25 180.82 3ag3 h THR 309 N 0.52 1.11 -0.59 0.00 2.02 -1.24 -3.00 112.91 111.73 3ag3 h THR 309 Ca 0.10 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 67.06 3ag3 h THR 309 Cb 0.58 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 3ag3 h THR 309 CO 0.03 0.11 0.39 0.24 0.37 0.00 0.00 175.52 176.67 3ag3 h MET 310 N 0.52 0.72 0.00 6.66 2.86 -1.16 -2.39 114.93 122.13 3ag3 h MET 310 Ca 0.14 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3ag3 h MET 310 Cb -0.03 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.47 3ag3 h MET 310 CO -0.03 0.47 -0.06 0.82 1.06 0.00 0.00 176.91 179.18 3ag3 h ILE 311 N 0.74 0.74 -0.15 -1.22 2.04 -1.28 -1.88 117.51 116.50 3ag3 h ILE 311 Ca 0.23 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.92 3ag3 h ILE 311 Cb 0.01 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3ag3 h ILE 311 CO -0.06 0.05 0.38 0.40 0.00 0.00 0.00 178.15 178.93 3ag3 h ILE 312 N 0.00 0.14 0.00 -0.67 2.04 -1.51 -1.04 117.51 116.47 3ag3 h ILE 312 Ca -0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 3ag3 h ILE 312 Cb 0.12 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3ag3 h ILE 312 CO 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 178.15 177.87 3ag3 h ALA 313 N 1.38 1.38 0.35 1.87 0.00 -1.53 -2.79 119.26 119.92 3ag3 h ALA 313 Ca 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3ag3 h ALA 313 Cb 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3ag3 h ALA 313 CO -0.00 0.36 -0.17 0.82 0.00 0.00 0.00 179.25 180.26 3ag3 h ILE 314 N 0.00 0.66 0.00 0.00 2.04 -1.37 0.37 117.51 119.20 3ag3 h ILE 314 Ca -0.00 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 3ag3 h ILE 314 Cb 0.56 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3ag3 h ILE 314 CO 0.04 0.07 -0.32 1.55 0.00 0.00 0.00 178.15 179.49 3ag3 h PRO 315 N -0.68 0.00 -0.34 2.37 0.13 -1.73 -2.00 132.00 129.75 3ag3 h PRO 315 Ca -0.05 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.92 3ag3 h PRO 315 Cb 0.48 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 3ag3 h PRO 315 CO 0.08 0.32 -0.44 1.15 -0.23 0.00 0.00 178.00 178.88 3ag3 h THR 316 N 0.00 1.28 -0.65 1.56 2.02 -1.44 -2.45 112.91 113.22 3ag3 h THR 316 Ca -0.00 -1.62 -0.05 0.00 0.77 0.00 0.00 66.41 65.50 3ag3 h THR 316 Cb 0.58 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3ag3 h THR 316 CO 0.04 0.53 0.20 1.23 0.37 0.00 0.00 175.52 177.90 3ag3 h GLY 317 N 0.80 1.07 0.36 2.16 0.00 -0.31 -0.51 103.07 106.63 3ag3 h GLY 317 Ca 0.04 -0.61 0.14 0.00 0.00 0.00 0.00 47.33 46.90 3ag3 h GLY 317 CO 0.10 0.57 0.59 -2.08 0.00 0.00 0.00 176.54 175.72 3ag3 h VAL 318 N 0.96 0.84 -0.10 4.60 2.07 -0.94 -0.04 116.25 123.65 3ag3 h VAL 318 Ca 0.21 -0.30 -0.19 0.00 0.82 0.00 0.00 66.70 67.25 3ag3 h VAL 318 Cb 0.28 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3ag3 h VAL 318 CO -0.01 0.16 -0.72 0.11 0.02 0.00 0.00 177.57 177.14 3ag3 h LYS 319 N 0.87 0.46 -0.04 1.57 1.57 -0.72 0.84 116.57 121.12 3ag3 h LYS 319 Ca 0.50 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3ag3 h LYS 319 Cb 0.59 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 3ag3 h LYS 319 CO -0.30 0.99 -0.00 0.28 -0.57 0.00 0.00 179.45 179.85 3ag3 h VAL 320 N 0.31 1.27 0.00 0.50 2.07 -0.45 0.79 116.25 120.74 3ag3 h VAL 320 Ca -0.03 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 3ag3 h VAL 320 Cb 1.29 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3ag3 h VAL 320 CO 0.13 0.22 -0.01 -0.26 0.02 0.00 0.00 177.57 177.67 3ag3 h PHE 321 N -0.24 0.00 -0.04 1.57 0.05 -1.05 -1.41 116.94 115.82 3ag3 h PHE 321 Ca 0.01 0.00 -0.20 0.00 3.82 0.00 0.00 57.97 61.60 3ag3 h PHE 321 Cb 0.36 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.30 3ag3 h PHE 321 CO 0.04 0.01 -0.82 0.77 -0.18 0.00 0.00 178.31 178.13 3ag3 h SER 322 N 0.00 0.48 -0.61 2.17 0.02 -0.18 0.12 113.55 115.56 3ag3 h SER 322 Ca -0.00 -0.35 -0.04 0.00 -0.84 0.00 0.00 61.79 60.56 3ag3 h SER 322 Cb 0.02 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3ag3 h SER 322 CO 0.00 1.12 0.23 -0.50 -1.14 0.00 0.00 176.83 176.55 3ag3 h TRP 323 N 0.25 0.94 -0.64 3.45 6.55 -0.44 0.17 115.95 126.24 3ag3 h TRP 323 Ca -0.05 -0.08 -0.00 0.00 0.95 0.00 0.00 58.89 59.71 3ag3 h TRP 323 Cb 1.43 -0.28 -0.03 0.00 -0.86 0.00 0.00 29.16 29.42 3ag3 h TRP 323 CO 0.05 0.76 0.40 -0.07 -1.05 0.00 0.00 178.44 178.52 3ag3 h LEU 324 N 0.86 0.76 -1.55 -4.49 3.38 -0.93 -1.49 115.31 111.85 3ag3 h LEU 324 Ca 0.20 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3ag3 h LEU 324 Cb 0.22 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3ag3 h LEU 324 CO -0.01 0.58 -0.14 0.00 0.09 0.00 0.00 178.44 178.95 3ag3 h ALA 325 N 1.21 1.11 -0.33 1.53 0.00 -0.56 -0.88 119.26 121.34 3ag3 h ALA 325 Ca 0.23 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3ag3 h ALA 325 Cb -0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ag3 h ALA 325 CO -0.05 0.18 -0.40 1.15 0.00 0.00 0.00 179.25 180.13 3ag3 h THR 326 N 0.00 1.28 -0.39 0.00 2.02 0.05 -3.22 112.91 112.65 3ag3 h THR 326 Ca -0.00 -1.58 -0.06 0.00 0.77 0.00 0.00 66.41 65.54 3ag3 h THR 326 Cb 0.53 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3ag3 h THR 326 CO 0.02 0.52 -0.02 -0.07 0.37 0.00 0.00 175.52 176.34 3ag3 h LEU 327 N 0.63 0.60 -9.43 2.58 3.38 -0.69 -3.41 115.31 108.97 3ag3 h LEU 327 Ca 0.04 -0.13 -0.57 0.00 0.09 0.00 0.00 57.88 57.31 3ag3 h LEU 327 Cb 0.99 -0.16 0.04 0.00 0.09 0.00 0.00 40.66 41.62 3ag3 h LEU 327 CO 0.10 0.68 1.03 1.57 0.09 0.00 0.00 178.44 181.91 3ag3 n HIS 328 N -4.24 2.43 -0.98 1.13 -0.00 -0.41 -1.04 115.22 112.11 3ag3 n HIS 328 Ca 0.02 -0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 3ag3 n HIS 328 Cb 0.28 -2.66 0.00 0.00 -0.12 0.00 0.00 29.99 27.48 3ag3 n HIS 328 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3ag3 n GLY 329 N 4.08 0.80 3.85 1.57 0.00 -1.26 -4.99 105.19 109.24 3ag3 n GLY 329 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3ag3 n GLY 329 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ag3 s GLY 330 N -2.00 1.95 -0.74 -0.02 0.00 -0.20 -5.01 107.32 101.31 3ag3 s GLY 330 Ca 0.00 0.13 -0.21 0.00 0.00 0.00 0.00 44.72 44.64 3ag3 s GLY 330 CO 0.00 0.41 0.98 0.21 0.00 0.00 0.00 173.10 174.69 3ag3 s ASN 331 N -3.35 6.32 0.01 1.64 2.47 -1.02 -5.02 114.94 115.99 3ag3 s ASN 331 Ca 0.58 -1.40 -0.28 0.00 0.42 0.00 0.00 52.86 52.18 3ag3 s ASN 331 Cb -0.11 -2.39 -0.04 0.00 -1.45 0.00 0.00 41.25 37.26 3ag3 s ASN 331 CO 0.38 -1.27 0.88 -0.63 -3.72 0.00 0.00 177.10 172.74 3ag3 s ILE 332 N 3.41 4.82 -0.29 -5.21 -1.09 -1.26 -4.03 121.20 117.55 3ag3 s ILE 332 Ca 0.24 1.86 -0.11 0.00 -2.23 0.00 0.00 60.65 60.40 3ag3 s ILE 332 Cb -0.14 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.47 3ag3 s ILE 332 CO 0.03 0.24 0.20 -0.75 -1.23 0.00 0.00 174.94 173.43 3ag3 s LYS 333 N 0.61 3.85 -1.27 2.79 2.47 0.06 -4.99 119.74 123.25 3ag3 s LYS 333 Ca 0.46 -0.39 -0.07 0.00 -1.56 0.00 0.00 55.97 54.41 3ag3 s LYS 333 Cb -0.21 -3.69 0.04 0.00 -1.46 0.00 0.00 37.83 32.51 3ag3 s LYS 333 CO 0.25 -0.24 2.65 0.91 0.16 0.00 0.00 175.35 179.08 3ag3 n TRP 334 N 5.07 2.33 -1.65 4.03 7.02 -1.26 -4.76 117.44 128.22 3ag3 n TRP 334 Ca -0.14 -2.76 -0.30 0.00 -1.02 0.00 0.00 57.50 53.28 3ag3 n TRP 334 Cb 0.51 -1.98 0.06 0.00 -2.42 0.00 0.00 31.31 27.49 3ag3 n TRP 334 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3ag3 s SER 335 N 0.97 5.13 0.34 -0.99 1.04 -1.26 -4.89 113.70 114.04 3ag3 s SER 335 Ca 0.60 1.39 0.06 0.00 0.48 0.00 0.00 55.95 58.48 3ag3 s SER 335 Cb 0.21 -2.21 0.63 0.00 0.10 0.00 0.00 66.02 64.75 3ag3 s SER 335 CO -0.09 -1.57 1.85 -0.65 0.98 0.00 0.00 173.24 173.76 3ag3 h PRO 336 N -0.81 0.37 -0.86 4.02 0.10 -1.92 -2.42 132.00 130.47 3ag3 h PRO 336 Ca -0.45 -0.10 -0.01 0.00 0.10 0.00 0.00 66.00 65.54 3ag3 h PRO 336 Cb 1.24 -0.04 -0.04 0.00 0.10 0.00 0.00 31.00 32.25 3ag3 h PRO 336 CO 0.60 0.51 0.50 0.00 0.10 0.00 0.00 178.00 179.70 3ag3 h ALA 337 N 1.52 1.10 -0.88 -0.75 0.00 -1.91 -1.07 119.26 117.27 3ag3 h ALA 337 Ca 0.07 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3ag3 h ALA 337 Cb 0.45 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3ag3 h ALA 337 CO 0.03 0.59 0.54 1.98 0.00 0.00 0.00 179.25 182.39 3ag3 h MET 338 N 1.20 0.94 -0.14 0.00 -1.53 -1.75 -0.83 114.93 112.82 3ag3 h MET 338 Ca 0.31 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.50 3ag3 h MET 338 Cb -0.01 -0.21 -0.01 0.00 -0.55 0.00 0.00 31.60 30.82 3ag3 h MET 338 CO -0.05 0.62 0.04 0.52 0.14 0.00 0.00 176.91 178.18 3ag3 h MET 339 N 0.97 0.21 -0.63 0.39 2.86 -0.87 0.18 114.93 118.04 3ag3 h MET 339 Ca 0.39 -0.05 0.12 0.00 -2.06 0.00 0.00 59.70 58.10 3ag3 h MET 339 Cb 0.22 -0.03 -0.09 0.00 0.06 0.00 0.00 31.60 31.77 3ag3 h MET 339 CO -0.19 0.36 0.17 -1.49 1.06 0.00 0.00 176.91 176.82 3ag3 h TRP 340 N 0.03 0.28 -0.33 -0.22 4.06 -0.83 -0.90 115.95 118.04 3ag3 h TRP 340 Ca 0.04 0.04 -0.10 0.00 2.06 0.00 0.00 58.89 60.93 3ag3 h TRP 340 Cb 0.23 -0.03 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 3ag3 h TRP 340 CO 0.00 0.00 -0.20 0.00 -3.56 0.00 0.00 178.44 174.69 3ag3 h ALA 341 N 1.48 1.04 -0.09 1.49 0.00 -0.53 0.13 119.26 122.79 3ag3 h ALA 341 Ca 0.33 -0.34 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3ag3 h ALA 341 Cb 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ag3 h ALA 341 CO -0.39 0.58 -0.79 -0.07 0.00 0.00 0.00 179.25 178.58 3ag3 h LEU 342 N 0.55 0.64 0.14 0.00 3.38 -0.24 -1.85 115.31 117.92 3ag3 h LEU 342 Ca 0.09 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3ag3 h LEU 342 Cb 0.64 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3ag3 h LEU 342 CO 0.05 1.20 -0.07 1.23 0.09 0.00 0.00 178.44 180.94 3ag3 h GLY 343 N 1.04 -0.20 -0.40 0.83 0.00 -0.96 -2.35 103.07 101.03 3ag3 h GLY 343 Ca -0.05 0.08 0.12 0.00 0.00 0.00 0.00 47.33 47.48 3ag3 h GLY 343 CO 0.14 -0.07 -0.25 -2.75 0.00 0.00 0.00 176.54 173.61 3ag3 h PHE 344 N -0.19 -0.64 -0.60 5.60 3.04 -0.57 0.77 116.94 124.35 3ag3 h PHE 344 Ca -0.02 0.07 0.01 0.00 3.98 0.00 0.00 57.97 62.01 3ag3 h PHE 344 Cb 0.15 0.38 -0.03 0.00 2.56 0.00 0.00 35.95 39.01 3ag3 h PHE 344 CO -0.07 -0.34 0.40 0.82 -2.02 0.00 0.00 178.31 177.09 3ag3 h ILE 345 N -0.08 1.14 -0.23 1.41 2.04 -0.91 0.13 117.51 121.02 3ag3 h ILE 345 Ca 0.28 -0.28 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 3ag3 h ILE 345 Cb 0.53 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3ag3 h ILE 345 CO -0.70 0.15 -0.15 0.15 0.00 0.00 0.00 178.15 177.60 3ag3 h PHE 346 N 0.80 0.60 0.01 1.37 3.57 -1.18 -2.57 116.94 119.53 3ag3 h PHE 346 Ca 0.22 -0.16 -0.23 0.00 3.53 0.00 0.00 57.97 61.33 3ag3 h PHE 346 Cb -0.08 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.50 3ag3 h PHE 346 CO -0.04 0.81 -1.16 -0.07 -2.23 0.00 0.00 178.31 175.62 3ag3 h LEU 347 N 0.21 0.03 -0.93 0.59 3.38 -0.51 -2.06 115.31 116.02 3ag3 h LEU 347 Ca 0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3ag3 h LEU 347 Cb 0.68 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3ag3 h LEU 347 CO 0.04 1.03 0.26 0.15 0.09 0.00 0.00 178.44 180.01 3ag3 h PHE 348 N 0.00 1.06 -0.13 1.13 3.04 -0.84 -1.53 116.94 119.67 3ag3 h PHE 348 Ca -0.08 -0.08 0.03 0.00 3.98 0.00 0.00 57.97 61.82 3ag3 h PHE 348 Cb 1.83 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 40.00 3ag3 h PHE 348 CO 0.00 0.81 -0.03 1.15 -2.02 0.00 0.00 178.31 178.23 3ag3 h THR 349 N 1.02 0.88 0.08 4.41 2.02 -1.02 0.33 112.91 120.61 3ag3 h THR 349 Ca 0.23 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.43 3ag3 h THR 349 Cb 0.22 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 3ag3 h THR 349 CO -0.02 0.00 -0.22 0.58 0.37 0.00 0.00 175.52 176.24 3ag3 h VAL 350 N 0.01 0.51 -0.85 3.16 2.07 -1.08 -0.25 116.25 119.82 3ag3 h VAL 350 Ca 0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.59 3ag3 h VAL 350 Cb 0.09 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3ag3 h VAL 350 CO -0.13 0.00 0.56 1.23 0.02 0.00 0.00 177.57 179.25 3ag3 h GLY 351 N -0.39 1.20 1.54 2.17 0.00 -1.03 -1.44 103.07 105.12 3ag3 h GLY 351 Ca 0.04 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 3ag3 h GLY 351 CO -0.14 0.44 -0.16 -1.33 0.00 0.00 0.00 176.54 175.34 3ag3 h GLY 352 N 1.15 0.59 1.58 4.60 0.00 0.13 -1.43 103.07 109.70 3ag3 h GLY 352 Ca 0.31 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 47.05 3ag3 h GLY 352 CO -0.07 0.41 -0.53 1.41 0.00 0.00 0.00 176.54 177.76 3ag3 h LEU 353 N 0.50 0.49 -1.02 3.11 3.38 -0.53 -1.62 115.31 119.62 3ag3 h LEU 353 Ca 0.08 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 3ag3 h LEU 353 Cb 0.57 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3ag3 h LEU 353 CO 0.04 0.92 -0.28 0.71 0.09 0.00 0.00 178.44 179.92 3ag3 h THR 354 N 0.34 0.67 -0.95 0.22 1.35 -1.01 -1.40 112.91 112.13 3ag3 h THR 354 Ca 0.01 -1.27 0.05 0.00 -0.55 0.00 0.00 66.41 64.65 3ag3 h THR 354 Cb 1.04 1.83 -0.06 0.00 -1.73 0.00 0.00 68.15 69.23 3ag3 h THR 354 CO 0.09 0.27 0.61 1.23 -0.25 0.00 0.00 175.52 177.48 3ag3 h GLY 355 N 2.11 1.42 1.73 5.82 0.00 -0.51 -1.81 103.07 111.83 3ag3 h GLY 355 Ca -0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 3ag3 h GLY 355 CO 0.04 0.34 -0.36 -2.22 0.00 0.00 0.00 176.54 174.34 3ag3 h ILE 356 N 1.13 1.29 -0.16 2.60 1.08 -0.37 0.10 117.51 123.18 3ag3 h ILE 356 Ca 0.40 -1.42 0.03 0.00 -0.39 0.00 0.00 64.86 63.47 3ag3 h ILE 356 Cb 0.11 1.58 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 3ag3 h ILE 356 CO -0.16 0.43 0.00 0.58 -0.69 0.00 0.00 178.15 178.32 3ag3 h VAL 357 N 0.26 0.89 0.00 1.67 2.07 -0.94 -2.41 116.25 117.79 3ag3 h VAL 357 Ca 0.03 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3ag3 h VAL 357 Cb 0.76 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3ag3 h VAL 357 CO 0.06 0.01 0.00 -0.07 0.02 0.00 0.00 177.57 177.59 3ag3 h LEU 358 N 0.06 0.00 -0.79 2.57 3.38 -0.68 -2.74 115.31 117.11 3ag3 h LEU 358 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ag3 h LEU 358 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ag3 h LEU 358 CO -0.13 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.40 3ag3 h ALA 359 N 2.11 1.00 -1.69 1.53 0.00 -0.46 -3.39 119.26 118.35 3ag3 h ALA 359 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 3ag3 h ALA 359 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 3ag3 h ALA 359 CO 0.00 0.00 0.80 -0.80 0.00 0.00 0.00 179.25 179.25 3ag3 s ASN 360 N -4.39 6.42 0.49 0.00 0.01 -1.03 -4.24 114.94 112.19 3ag3 s ASN 360 Ca 0.04 -0.05 0.23 0.00 -0.71 0.00 0.00 52.86 52.37 3ag3 s ASN 360 Cb 0.09 -2.50 1.26 0.00 0.41 0.00 0.00 41.25 40.50 3ag3 s ASN 360 CO 0.41 -1.35 2.02 0.77 -1.51 0.00 0.00 177.10 177.43 3ag3 h SER 361 N 9.42 0.00 -0.10 -1.22 4.64 -1.88 0.91 113.55 125.32 3ag3 h SER 361 Ca -0.25 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 3ag3 h SER 361 Cb 1.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 3ag3 h SER 361 CO 1.14 0.17 -0.05 0.28 -0.87 0.00 0.00 176.83 177.49 3ag3 h SER 362 N 0.00 -0.17 0.67 4.97 0.02 -1.93 -2.21 113.55 114.90 3ag3 h SER 362 Ca -0.00 0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 60.81 3ag3 h SER 362 Cb 0.39 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 3ag3 h SER 362 CO 0.02 -0.07 -0.82 -0.07 -1.14 0.00 0.00 176.83 174.75 3ag3 h LEU 363 N -0.05 0.14 -2.25 5.07 3.38 -1.70 -3.03 115.31 116.87 3ag3 h LEU 363 Ca 0.06 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ag3 h LEU 363 Cb 0.13 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ag3 h LEU 363 CO -0.13 0.90 0.02 -0.78 0.09 0.00 0.00 178.44 178.54 3ag3 h ASP 364 N 0.06 0.00 -0.86 -0.43 1.82 -0.43 -1.46 116.42 115.12 3ag3 h ASP 364 Ca -0.03 0.00 0.12 0.00 -0.39 0.00 0.00 57.03 56.73 3ag3 h ASP 364 Cb 1.43 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 41.36 3ag3 h ASP 364 CO 0.12 0.00 0.49 0.40 -1.61 0.00 0.00 179.24 178.64 3ag3 h ILE 365 N 0.00 0.85 0.00 2.25 1.08 -1.28 0.29 117.51 120.71 3ag3 h ILE 365 Ca 0.01 -0.27 -0.13 0.00 -0.39 0.00 0.00 64.86 64.08 3ag3 h ILE 365 Cb 0.06 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 33.80 3ag3 h ILE 365 CO -0.00 0.14 -0.79 0.58 -0.69 0.00 0.00 178.15 177.39 3ag3 h VAL 366 N 0.77 0.85 0.00 1.67 2.07 -1.47 -3.34 116.25 116.81 3ag3 h VAL 366 Ca 0.44 -2.28 -0.05 0.00 0.82 0.00 0.00 66.70 65.63 3ag3 h VAL 366 Cb 0.48 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3ag3 h VAL 366 CO -0.29 0.48 -1.93 0.18 0.02 0.00 0.00 177.57 176.04 3ag3 n LEU 367 N -3.15 0.11 -4.71 2.57 4.77 -0.80 -4.85 117.00 110.95 3ag3 n LEU 367 Ca -0.01 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.60 3ag3 n LEU 367 Cb 0.78 0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.94 3ag3 n LEU 367 CO 0.42 0.04 0.91 1.57 -1.33 0.00 0.00 177.39 179.00 3ag3 n HIS 368 N -2.38 2.24 -2.30 -1.77 -0.00 1.00 -2.02 115.22 110.00 3ag3 n HIS 368 Ca -0.07 0.50 -0.21 0.00 0.46 0.00 0.00 57.72 58.40 3ag3 n HIS 368 Cb 0.64 -2.40 -0.02 0.00 -0.12 0.00 0.00 29.99 28.10 3ag3 n HIS 368 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3ag3 n ASP 369 N 0.28 -5.81 -4.61 0.26 9.92 -1.26 -4.99 116.55 110.34 3ag3 n ASP 369 Ca 0.06 0.06 -0.29 0.00 -0.53 0.00 0.00 54.79 54.09 3ag3 n ASP 369 Cb 0.39 -4.88 -0.09 0.00 -0.64 0.00 0.00 41.12 35.90 3ag3 n ASP 369 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3ag3 s THR 370 N -2.99 1.46 -1.38 -3.53 -4.23 -0.85 -1.52 115.64 102.59 3ag3 s THR 370 Ca 0.00 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 3ag3 s THR 370 Cb 0.00 -2.59 0.18 0.00 1.34 0.00 0.00 72.50 71.43 3ag3 s THR 370 CO 0.00 0.00 1.27 -1.22 -0.54 0.00 0.00 174.62 174.13 3ag3 n TYR 371 N -1.05 0.00 0.06 3.99 4.01 -0.83 -1.86 117.16 121.48 3ag3 n TYR 371 Ca -0.10 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.61 3ag3 n TYR 371 Cb 0.67 -0.31 0.21 0.00 -0.31 0.00 0.00 39.34 39.60 3ag3 n TYR 371 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3ag3 h TYR 372 N 0.00 0.40 -0.08 -0.72 5.03 -1.80 0.75 116.97 120.55 3ag3 h TYR 372 Ca 0.00 -0.10 -0.24 0.00 2.58 0.00 0.00 58.73 60.97 3ag3 h TYR 372 Cb 0.12 -0.09 0.01 0.00 1.55 0.00 0.00 36.73 38.32 3ag3 h TYR 372 CO 0.00 0.66 -0.90 0.28 -1.32 0.00 0.00 178.16 176.88 3ag3 h VAL 373 N 0.30 1.29 -0.87 1.81 2.07 -1.56 0.30 116.25 119.58 3ag3 h VAL 373 Ca 0.03 -2.12 -0.00 0.00 0.82 0.00 0.00 66.70 65.43 3ag3 h VAL 373 Cb 0.76 2.18 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 3ag3 h VAL 373 CO 0.06 0.66 0.54 0.58 0.02 0.00 0.00 177.57 179.44 3ag3 h VAL 374 N 0.45 1.24 -0.51 2.57 2.07 -1.53 -1.44 116.25 119.09 3ag3 h VAL 374 Ca -0.09 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.85 3ag3 h VAL 374 Cb 1.54 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3ag3 h VAL 374 CO 0.18 0.24 -0.04 0.00 0.02 0.00 0.00 177.57 177.97 3ag3 h ALA 375 N 1.30 0.69 -0.10 1.67 0.00 -0.62 -0.08 119.26 122.12 3ag3 h ALA 375 Ca 0.32 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3ag3 h ALA 375 Cb -0.08 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 3ag3 h ALA 375 CO -0.06 0.55 -0.46 1.25 0.00 0.00 0.00 179.25 180.52 3ag3 h HIS 376 N 0.80 -1.37 0.00 0.00 6.17 -0.38 -1.84 115.15 118.53 3ag3 h HIS 376 Ca 0.14 0.05 -0.05 0.00 0.71 0.00 0.00 60.37 61.22 3ag3 h HIS 376 Cb 0.58 0.61 -0.01 0.00 2.52 0.00 0.00 27.41 31.12 3ag3 h HIS 376 CO 0.04 -0.47 -0.25 0.27 0.71 0.00 0.00 177.93 178.24 3ag3 h PHE 377 N -0.50 0.00 0.00 5.26 -0.00 -1.21 -2.36 116.94 118.13 3ag3 h PHE 377 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.95 3ag3 h PHE 377 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.52 3ag3 h PHE 377 CO -0.56 0.25 -0.23 0.45 -0.00 0.00 0.00 178.31 178.22 3ag3 h HIS 378 N 0.00 0.00 -0.18 6.09 3.86 -0.87 0.20 115.15 124.25 3ag3 h HIS 378 Ca -0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 3ag3 h HIS 378 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 3ag3 h HIS 378 CO 0.00 0.23 -0.35 1.88 0.86 0.00 0.00 177.93 180.55 3ag3 h TYR 379 N 0.00 0.69 -0.19 2.45 -1.99 -1.03 -0.02 116.97 116.88 3ag3 h TYR 379 Ca -0.00 -0.25 -0.11 0.00 2.00 0.00 0.00 58.73 60.37 3ag3 h TYR 379 Cb 0.77 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.35 3ag3 h TYR 379 CO 0.00 0.99 -0.34 -0.39 -0.00 0.00 0.00 178.16 178.41 3ag3 h VAL 380 N 0.20 1.29 0.00 -2.88 -1.51 -1.33 -1.39 116.25 110.63 3ag3 h VAL 380 Ca 0.01 -1.41 -0.29 0.00 -1.23 0.00 0.00 66.70 63.77 3ag3 h VAL 380 Cb 0.94 1.52 -0.04 0.00 -2.13 0.00 0.00 31.29 31.58 3ag3 h VAL 380 CO 0.08 0.44 -1.58 0.18 -1.23 0.00 0.00 177.57 175.45 3ag3 n LEU 381 N -4.07 1.90 0.12 4.19 4.77 0.69 -1.31 117.00 123.29 3ag3 n LEU 381 Ca -0.01 0.40 0.13 0.00 -0.03 0.00 0.00 56.01 56.49 3ag3 n LEU 381 Cb 0.45 -0.94 0.29 0.00 -2.33 0.00 0.00 43.42 40.90 3ag3 n LEU 381 CO 0.42 0.36 0.72 -1.28 -1.33 0.00 0.00 177.39 176.29 3ag3 h SER 382 N -0.98 0.00 0.00 -1.43 0.87 -1.15 -1.74 113.55 109.13 3ag3 h SER 382 Ca -0.44 -0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 59.92 3ag3 h SER 382 Cb 1.39 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.33 3ag3 h SER 382 CO -0.26 0.02 -1.58 0.23 -0.53 0.00 0.00 176.83 174.72 3ag3 n MET 383 N -2.42 0.24 0.00 2.24 2.81 -1.01 -4.35 117.12 114.63 3ag3 n MET 383 Ca 0.05 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 3ag3 n MET 383 Cb 0.46 -1.04 0.00 0.00 -0.71 0.00 0.00 33.22 31.93 3ag3 n MET 383 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ag3 n GLY 384 N 2.69 -2.86 0.16 3.03 0.00 -0.54 -1.49 105.19 106.19 3ag3 n GLY 384 Ca -0.19 0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 3ag3 n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag3 h ALA 385 N -1.99 0.44 -0.63 4.61 0.00 -0.37 -0.69 119.26 120.64 3ag3 h ALA 385 Ca 0.00 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3ag3 h ALA 385 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3ag3 h ALA 385 CO 0.00 -0.24 0.17 0.28 0.00 0.00 0.00 179.25 179.46 3ag3 h VAL 386 N 0.31 1.25 -0.03 0.00 2.07 -1.51 -0.03 116.25 118.32 3ag3 h VAL 386 Ca 0.17 -0.90 -0.11 0.00 0.82 0.00 0.00 66.70 66.67 3ag3 h VAL 386 Cb 0.13 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3ag3 h VAL 386 CO -0.16 0.34 -0.51 -0.26 0.02 0.00 0.00 177.57 177.01 3ag3 h PHE 387 N 0.92 0.10 -0.03 1.57 0.05 -0.66 0.26 116.94 119.14 3ag3 h PHE 387 Ca 0.20 -0.03 -0.23 0.00 3.82 0.00 0.00 57.97 61.73 3ag3 h PHE 387 Cb 0.34 -0.02 0.01 0.00 2.00 0.00 0.00 35.95 38.28 3ag3 h PHE 387 CO 0.02 0.57 -0.91 0.00 -0.18 0.00 0.00 178.31 177.81 3ag3 h ALA 388 N 1.43 0.34 -0.81 2.45 0.00 -0.83 -0.50 119.26 121.34 3ag3 h ALA 388 Ca -0.00 -0.68 0.04 0.00 0.00 0.00 0.00 54.91 54.28 3ag3 h ALA 388 Cb 0.92 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3ag3 h ALA 388 CO 0.07 0.76 0.51 0.82 0.00 0.00 0.00 179.25 181.41 3ag3 h ILE 389 N 0.32 1.08 -0.06 0.00 2.04 -0.64 0.52 117.51 120.77 3ag3 h ILE 389 Ca -0.08 -0.33 -0.22 0.00 1.00 0.00 0.00 64.86 65.23 3ag3 h ILE 389 Cb 1.54 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3ag3 h ILE 389 CO 0.17 0.18 -0.85 0.24 0.00 0.00 0.00 178.15 177.88 3ag3 h MET 390 N 0.97 0.54 0.07 2.37 2.86 -0.27 0.81 114.93 122.27 3ag3 h MET 390 Ca 0.34 -0.50 0.03 0.00 -2.06 0.00 0.00 59.70 57.50 3ag3 h MET 390 Cb 0.08 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 3ag3 h MET 390 CO -0.14 1.13 -0.34 0.78 1.06 0.00 0.00 176.91 179.40 3ag3 h GLY 391 N 0.98 -0.62 1.47 8.32 0.00 -0.99 -0.30 103.07 111.93 3ag3 h GLY 391 Ca -0.06 0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.59 3ag3 h GLY 391 CO 0.16 -0.25 -0.10 -1.33 0.00 0.00 0.00 176.54 175.02 3ag3 h GLY 392 N -0.53 0.69 1.11 4.60 0.00 -0.67 -1.14 103.07 107.12 3ag3 h GLY 392 Ca 0.04 -0.49 -0.26 0.00 0.00 0.00 0.00 47.33 46.62 3ag3 h GLY 392 CO -0.23 0.45 -1.08 -2.75 0.00 0.00 0.00 176.54 172.92 3ag3 h PHE 393 N 0.59 0.92 -0.12 5.60 3.57 -0.58 0.22 116.94 127.14 3ag3 h PHE 393 Ca 0.11 -0.56 -0.13 0.00 3.53 0.00 0.00 57.97 60.91 3ag3 h PHE 393 Cb 0.52 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3ag3 h PHE 393 CO 0.02 1.41 -0.51 -0.39 -2.23 0.00 0.00 178.31 176.61 3ag3 h VAL 394 N 0.18 1.34 -0.22 1.41 -1.51 -0.96 0.10 116.25 116.60 3ag3 h VAL 394 Ca -0.16 -1.75 -0.20 0.00 -1.23 0.00 0.00 66.70 63.36 3ag3 h VAL 394 Cb 1.77 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.75 3ag3 h VAL 394 CO 0.21 0.52 -0.65 -0.74 -1.23 0.00 0.00 177.57 175.68 3ag3 h HIS 395 N 0.25 1.06 -0.01 5.19 -0.00 -0.98 -3.33 115.15 117.33 3ag3 h HIS 395 Ca 0.01 -0.42 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 3ag3 h HIS 395 Cb 0.98 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.20 3ag3 h HIS 395 CO 0.02 1.25 -0.74 0.91 -0.00 0.00 0.00 177.93 179.37 3ag3 n TRP 396 N -3.97 0.00 -0.29 5.26 8.01 0.74 -4.40 117.44 122.79 3ag3 n TRP 396 Ca -0.06 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.19 3ag3 n TRP 396 Cb 0.68 -0.00 0.27 0.00 -2.01 0.00 0.00 31.31 30.25 3ag3 n TRP 396 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.69 177.03 3ag3 h PHE 397 N 1.16 0.99 0.00 -5.99 3.04 -0.90 0.11 116.94 115.36 3ag3 h PHE 397 Ca 0.00 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 3ag3 h PHE 397 Cb 0.62 -0.32 -0.00 0.00 2.56 0.00 0.00 35.95 38.81 3ag3 h PHE 397 CO 0.00 0.48 -0.13 -1.35 -2.02 0.00 0.00 178.31 175.29 3ag3 h PRO 398 N 0.94 0.00 0.01 6.41 0.11 -1.77 0.04 132.00 137.75 3ag3 h PRO 398 Ca 0.40 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.43 3ag3 h PRO 398 Cb 0.32 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.44 3ag3 h PRO 398 CO -0.16 0.13 -0.31 1.25 -0.21 0.00 0.00 178.00 178.70 3ag3 h LEU 399 N 0.00 0.26 -0.76 2.35 5.85 -1.13 0.11 115.31 121.98 3ag3 h LEU 399 Ca -0.00 -0.80 -0.13 0.00 0.84 0.00 0.00 57.88 57.79 3ag3 h LEU 399 Cb 0.31 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3ag3 h LEU 399 CO 0.02 1.02 -0.50 -0.26 -0.34 0.00 0.00 178.44 178.38 3ag3 h PHE 400 N -0.48 0.36 0.00 1.25 0.04 -0.78 -3.34 116.94 114.00 3ag3 h PHE 400 Ca -0.04 -0.12 -0.29 0.00 2.80 0.00 0.00 57.97 60.33 3ag3 h PHE 400 Cb 1.08 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 39.10 3ag3 h PHE 400 CO 0.18 0.74 -2.08 -1.13 -0.60 0.00 0.00 178.31 175.42 3ag3 n SER 401 N -3.96 1.23 0.00 2.17 3.41 -0.03 -4.68 113.62 111.76 3ag3 n SER 401 Ca -0.02 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3ag3 n SER 401 Cb 0.55 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 65.30 3ag3 n SER 401 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag3 n GLY 402 N 2.07 0.74 3.39 5.00 0.00 0.37 -4.40 105.19 112.35 3ag3 n GLY 402 Ca -0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 3ag3 n GLY 402 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ag3 s TYR 403 N -2.59 2.18 0.12 1.61 2.02 -1.25 -0.87 117.35 118.57 3ag3 s TYR 403 Ca 0.00 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.28 3ag3 s TYR 403 Cb 0.00 -1.11 -0.05 0.00 -0.40 0.00 0.00 41.96 40.40 3ag3 s TYR 403 CO 0.00 0.41 0.33 0.95 -1.57 0.00 0.00 175.55 175.67 3ag3 s THR 404 N -1.56 5.23 0.67 -0.71 -4.23 -0.68 -3.77 115.64 110.60 3ag3 s THR 404 Ca 0.17 -0.08 -0.10 0.00 -1.18 0.00 0.00 61.69 60.49 3ag3 s THR 404 Cb -0.08 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.14 3ag3 s THR 404 CO 0.08 0.07 1.05 -0.76 -0.54 0.00 0.00 174.62 174.52 3ag3 s LEU 405 N -2.62 3.02 -0.33 4.79 1.43 -1.26 -4.68 118.68 119.02 3ag3 s LEU 405 Ca 0.39 1.12 -0.23 0.00 -1.03 0.00 0.00 54.13 54.38 3ag3 s LEU 405 Cb -0.12 -3.96 0.00 0.00 0.03 0.00 0.00 46.19 42.14 3ag3 s LEU 405 CO 0.26 -1.21 0.78 0.21 0.23 0.00 0.00 176.35 176.62 3ag3 s ASN 406 N -4.32 6.61 0.33 2.29 3.84 -1.26 -4.93 114.94 117.49 3ag3 s ASN 406 Ca 0.57 0.51 0.04 0.00 0.21 0.00 0.00 52.86 54.19 3ag3 s ASN 406 Cb -0.11 -2.40 0.57 0.00 -0.55 0.00 0.00 41.25 38.76 3ag3 s ASN 406 CO 0.51 -0.67 1.84 0.44 -2.79 0.00 0.00 177.10 176.44 3ag3 h ASP 407 N 8.29 0.48 -0.42 -4.21 3.45 -1.98 -1.77 116.42 120.26 3ag3 h ASP 407 Ca -0.25 -0.11 -0.07 0.00 0.43 0.00 0.00 57.03 57.04 3ag3 h ASP 407 Cb 1.10 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.73 3ag3 h ASP 407 CO 0.89 0.59 -0.03 0.74 -1.57 0.00 0.00 179.24 179.87 3ag3 h THR 408 N 0.47 1.27 -0.17 0.35 2.02 -2.00 -0.11 112.91 114.74 3ag3 h THR 408 Ca 0.10 -1.07 -0.09 0.00 0.77 0.00 0.00 66.41 66.11 3ag3 h THR 408 Cb 0.41 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3ag3 h THR 408 CO 0.02 0.36 -0.31 -0.50 0.37 0.00 0.00 175.52 175.46 3ag3 h TRP 409 N 0.59 0.38 -0.32 3.16 -0.00 -1.94 -1.29 115.95 116.53 3ag3 h TRP 409 Ca 0.12 -0.08 -0.09 0.00 -0.00 0.00 0.00 58.89 58.83 3ag3 h TRP 409 Cb 0.52 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 29.58 3ag3 h TRP 409 CO 0.04 0.61 -0.16 0.00 -0.00 0.00 0.00 178.44 178.93 3ag3 h ALA 410 N 1.38 1.11 -0.15 1.49 0.00 -1.04 0.40 119.26 122.46 3ag3 h ALA 410 Ca 0.04 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 3ag3 h ALA 410 Cb 0.70 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3ag3 h ALA 410 CO 0.05 0.55 -0.60 0.87 0.00 0.00 0.00 179.25 180.12 3ag3 h LYS 411 N 0.53 0.51 -0.58 0.00 1.57 -0.35 -1.96 116.57 116.29 3ag3 h LYS 411 Ca 0.09 -0.35 -0.08 0.00 -1.87 0.00 0.00 60.65 58.44 3ag3 h LYS 411 Cb 0.59 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3ag3 h LYS 411 CO 0.04 0.96 0.03 0.82 -0.57 0.00 0.00 179.45 180.73 3ag3 h ILE 412 N 0.38 1.26 -0.01 1.86 2.04 -0.83 -1.24 117.51 120.96 3ag3 h ILE 412 Ca -0.00 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 64.82 3ag3 h ILE 412 Cb 1.15 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3ag3 h ILE 412 CO 0.11 0.39 -0.16 -0.74 0.00 0.00 0.00 178.15 177.75 3ag3 h HIS 413 N 0.91 -0.41 -0.30 1.37 2.76 -0.78 -1.12 115.15 117.58 3ag3 h HIS 413 Ca 0.17 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.40 3ag3 h HIS 413 Cb 0.48 0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.58 3ag3 h HIS 413 CO 0.03 -0.23 0.04 0.35 -1.30 0.00 0.00 177.93 176.82 3ag3 h PHE 414 N -0.25 0.06 -0.51 5.26 3.57 -1.16 -1.22 116.94 122.69 3ag3 h PHE 414 Ca 0.06 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.63 3ag3 h PHE 414 Cb 0.33 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 3ag3 h PHE 414 CO -0.22 -0.01 0.23 0.00 -2.23 0.00 0.00 178.31 176.09 3ag3 h ALA 415 N 1.23 0.64 -0.09 2.41 0.00 -0.76 0.26 119.26 122.94 3ag3 h ALA 415 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3ag3 h ALA 415 Cb 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ag3 h ALA 415 CO -0.20 -0.13 0.04 0.82 0.00 0.00 0.00 179.25 179.77 3ag3 h ILE 416 N 0.45 1.14 -0.82 0.00 2.04 -0.85 -2.27 117.51 117.20 3ag3 h ILE 416 Ca 0.23 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.71 3ag3 h ILE 416 Cb 0.18 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 3ag3 h ILE 416 CO -0.19 0.12 0.52 -0.03 0.00 0.00 0.00 178.15 178.58 3ag3 h MET 417 N -0.00 0.97 -0.55 2.37 4.05 -1.05 0.12 114.93 120.83 3ag3 h MET 417 Ca 0.03 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 3ag3 h MET 417 Cb 0.16 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.72 3ag3 h MET 417 CO -0.00 0.64 0.08 0.35 0.23 0.00 0.00 176.91 178.21 3ag3 h PHE 418 N 0.99 0.97 -0.41 1.39 3.57 -0.77 -0.92 116.94 121.77 3ag3 h PHE 418 Ca 0.34 -0.14 -0.15 0.00 3.53 0.00 0.00 57.97 61.55 3ag3 h PHE 418 Cb 0.06 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 3ag3 h PHE 418 CO -0.03 0.86 -0.32 0.28 -2.23 0.00 0.00 178.31 176.87 3ag3 h VAL 419 N 0.80 1.27 -0.31 1.41 2.07 -1.12 -2.99 116.25 117.39 3ag3 h VAL 419 Ca 0.17 -1.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 3ag3 h VAL 419 Cb 0.42 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3ag3 h VAL 419 CO 0.01 0.50 0.03 1.23 0.02 0.00 0.00 177.57 179.36 3ag3 h GLY 420 N 0.77 0.57 1.54 2.17 0.00 -0.09 -1.07 103.07 106.96 3ag3 h GLY 420 Ca 0.08 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 3ag3 h GLY 420 CO 0.08 0.37 -0.39 -0.39 0.00 0.00 0.00 176.54 176.21 3ag3 h VAL 421 N 0.33 1.30 -0.43 4.60 -1.51 -1.26 -0.40 116.25 118.88 3ag3 h VAL 421 Ca 0.09 -1.54 -0.12 0.00 -1.23 0.00 0.00 66.70 63.90 3ag3 h VAL 421 Cb 0.39 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 3ag3 h VAL 421 CO 0.01 0.48 -0.19 0.78 -1.23 0.00 0.00 177.57 177.42 3ag3 h ASN 422 N 0.42 0.92 -0.76 4.19 2.35 -1.45 -0.26 115.58 121.00 3ag3 h ASN 422 Ca 0.04 -0.40 -0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3ag3 h ASN 422 Cb 0.87 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.95 3ag3 h ASN 422 CO 0.07 1.11 0.46 -0.03 -1.65 0.00 0.00 177.43 177.39 3ag3 h MET 423 N 0.72 1.03 -0.11 0.81 4.05 -1.00 -0.00 114.93 120.44 3ag3 h MET 423 Ca 0.10 -0.09 -0.09 0.00 -0.28 0.00 0.00 59.70 59.33 3ag3 h MET 423 Cb 0.76 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 3ag3 h MET 423 CO 0.06 0.73 -0.30 1.15 0.23 0.00 0.00 176.91 178.78 3ag3 h THR 424 N 1.05 1.39 0.00 -0.77 2.02 -0.80 -3.37 112.91 112.43 3ag3 h THR 424 Ca 0.27 -1.62 -0.27 0.00 0.77 0.00 0.00 66.41 65.56 3ag3 h THR 424 Cb -0.04 2.16 -0.05 0.00 -1.74 0.00 0.00 68.15 68.48 3ag3 h THR 424 CO -0.05 0.47 -2.12 0.49 0.37 0.00 0.00 175.52 174.68 3ag3 n PHE 425 N -4.42 0.00 -0.16 3.16 3.01 -0.13 -4.45 117.46 114.47 3ag3 n PHE 425 Ca -0.07 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.36 3ag3 n PHE 425 Cb 0.48 -0.79 0.06 0.00 -0.01 0.00 0.00 39.48 39.23 3ag3 n PHE 425 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 3ag3 h PHE 426 N 0.00 0.22 0.00 1.38 3.57 -1.17 -1.36 116.94 119.58 3ag3 h PHE 426 Ca -0.41 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.12 3ag3 h PHE 426 Cb 1.91 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.62 3ag3 h PHE 426 CO 0.00 0.03 0.00 -2.30 -2.23 0.00 0.00 178.31 173.81 3ag3 n PRO 427 N -5.07 0.18 0.27 6.41 -0.02 -1.26 -2.15 135.00 133.37 3ag3 n PRO 427 Ca 0.05 0.50 0.16 0.00 -2.02 0.00 0.00 63.50 62.19 3ag3 n PRO 427 Cb 0.23 -1.91 0.70 0.00 -0.02 0.00 0.00 33.50 32.49 3ag3 n PRO 427 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3ag3 h GLN 428 N 0.00 0.00 -0.87 -0.52 4.20 -1.46 -0.65 115.11 115.82 3ag3 h GLN 428 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3ag3 h GLN 428 Cb 0.25 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 3ag3 h GLN 428 CO 0.00 0.06 0.45 0.45 -0.67 0.00 0.00 178.83 179.12 3ag3 h HIS 429 N 0.00 1.21 -0.32 2.96 3.86 -1.55 -1.14 115.15 120.17 3ag3 h HIS 429 Ca -0.00 -0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.08 3ag3 h HIS 429 Cb 0.49 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 3ag3 h HIS 429 CO 0.00 0.85 -0.14 0.74 0.86 0.00 0.00 177.93 180.24 3ag3 h PHE 430 N 1.22 0.76 -0.80 2.45 0.04 -1.30 0.90 116.94 120.21 3ag3 h PHE 430 Ca 0.30 -0.18 0.05 0.00 2.80 0.00 0.00 57.97 60.94 3ag3 h PHE 430 Cb 0.06 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 37.99 3ag3 h PHE 430 CO 0.01 0.87 0.52 -0.07 -0.60 0.00 0.00 178.31 179.05 3ag3 h LEU 431 N 0.43 0.79 0.05 1.54 3.38 -1.30 -1.22 115.31 118.99 3ag3 h LEU 431 Ca 0.07 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3ag3 h LEU 431 Cb 0.66 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3ag3 h LEU 431 CO 0.04 0.52 -0.03 1.23 0.09 0.00 0.00 178.44 180.30 3ag3 h GLY 432 N 0.91 -0.08 0.57 0.83 0.00 -0.81 0.23 103.07 104.72 3ag3 h GLY 432 Ca 0.33 0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.79 3ag3 h GLY 432 CO -0.11 -0.03 0.64 1.41 0.00 0.00 0.00 176.54 178.45 3ag3 h LEU 433 N -0.62 0.97 -0.50 3.11 3.38 -0.68 0.29 115.31 121.24 3ag3 h LEU 433 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ag3 h LEU 433 Cb 0.54 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ag3 h LEU 433 CO 0.01 0.55 0.00 -1.54 0.09 0.00 0.00 178.44 177.56 3ag3 n SER 434 N -4.57 0.75 0.00 -0.43 3.41 -0.47 -4.92 113.62 107.39 3ag3 n SER 434 Ca 0.18 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 3ag3 n SER 434 Cb 0.29 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3ag3 n SER 434 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag3 n GLY 435 N 0.87 0.85 3.69 5.00 0.00 0.09 -5.05 105.19 110.64 3ag3 n GLY 435 Ca 0.12 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3ag3 n GLY 435 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ag3 s MET 436 N -0.58 4.30 0.69 1.61 0.00 0.73 -4.99 119.30 121.05 3ag3 s MET 436 Ca 0.00 1.91 -0.14 0.00 0.00 0.00 0.00 55.69 57.46 3ag3 s MET 436 Cb 0.00 -3.55 0.01 0.00 0.00 0.00 0.00 34.83 31.29 3ag3 s MET 436 CO 0.00 -0.54 1.10 -2.14 0.00 0.00 0.00 175.02 173.44 3ag3 s PRO 437 N 2.27 2.67 0.72 4.11 0.02 -1.26 -1.97 135.00 141.58 3ag3 s PRO 437 Ca 0.62 1.31 -0.06 0.00 0.02 0.00 0.00 61.00 62.89 3ag3 s PRO 437 Cb -0.30 -1.94 0.08 0.00 0.02 0.00 0.00 34.50 32.36 3ag3 s PRO 437 CO 0.26 -1.34 1.03 -0.98 -0.33 0.00 0.00 177.00 175.64 3ag3 s ARG 438 N -4.34 1.99 -1.77 5.54 1.70 -0.58 -4.29 118.95 117.19 3ag3 s ARG 438 Ca 0.65 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 55.50 3ag3 s ARG 438 Cb -0.19 -2.17 0.00 0.00 -0.57 0.00 0.00 34.95 32.01 3ag3 s ARG 438 CO 0.46 -1.36 0.00 0.54 -1.08 0.00 0.00 175.30 173.86 3ag3 n ARG 439 N -2.97 -1.58 -4.09 3.89 1.74 -1.26 -4.93 116.66 107.46 3ag3 n ARG 439 Ca 0.10 1.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.82 3ag3 n ARG 439 Cb 0.60 -5.59 -0.08 0.00 -1.02 0.00 0.00 32.46 26.38 3ag3 n ARG 439 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3ag3 s TYR 440 N -2.97 3.36 -0.95 -1.55 4.12 -1.26 -5.02 117.35 113.08 3ag3 s TYR 440 Ca 0.00 0.31 0.26 0.00 0.02 0.00 0.00 57.07 57.66 3ag3 s TYR 440 Cb 0.00 -1.91 0.74 0.00 -1.52 0.00 0.00 41.96 39.27 3ag3 s TYR 440 CO 0.00 0.52 1.59 -1.13 0.02 0.00 0.00 175.55 176.55 3ag3 n SER 441 N 2.35 0.37 -3.63 2.29 3.41 -1.26 -4.95 113.62 112.21 3ag3 n SER 441 Ca -0.19 0.07 -0.09 0.00 -0.26 0.00 0.00 58.87 58.40 3ag3 n SER 441 Cb 0.54 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 3ag3 n SER 441 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ag3 s ASP 442 N -3.20 -0.40 0.02 4.04 3.68 -1.26 -4.62 116.67 114.94 3ag3 s ASP 442 Ca 0.11 -0.28 -0.01 0.00 2.13 0.00 0.00 52.55 54.50 3ag3 s ASP 442 Cb 0.17 0.63 -0.02 0.00 -1.45 0.00 0.00 42.92 42.25 3ag3 s ASP 442 CO 0.64 -1.09 -0.00 -0.72 0.13 0.00 0.00 175.17 174.13 3ag3 s TYR 443 N -3.73 0.27 0.39 -5.34 -0.85 -1.26 -5.07 117.35 101.76 3ag3 s TYR 443 Ca 0.06 -0.57 -0.24 0.00 -0.52 0.00 0.00 57.07 55.80 3ag3 s TYR 443 Cb -0.03 -0.20 -0.12 0.00 0.38 0.00 0.00 41.96 41.98 3ag3 s TYR 443 CO -0.03 -0.24 0.77 -2.30 -1.52 0.00 0.00 175.55 172.22 3ag3 n PRO 444 N 1.29 0.90 -0.31 -3.49 -0.02 -1.26 -4.84 135.00 127.27 3ag3 n PRO 444 Ca -0.22 0.32 0.22 0.00 -2.02 0.00 0.00 63.50 61.80 3ag3 n PRO 444 Cb 0.56 -1.70 0.51 0.00 -0.02 0.00 0.00 33.50 32.85 3ag3 n PRO 444 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ag3 h ASP 445 N 1.22 0.44 -0.30 2.55 3.45 -2.03 -1.21 116.42 120.53 3ag3 h ASP 445 Ca -0.41 0.07 0.09 0.00 0.43 0.00 0.00 57.03 57.21 3ag3 h ASP 445 Cb 1.37 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.13 3ag3 h ASP 445 CO 0.55 0.11 0.32 0.00 -1.57 0.00 0.00 179.24 178.64 3ag3 h ALA 446 N 1.61 1.99 -0.15 3.45 0.00 -2.05 -1.48 119.26 122.64 3ag3 h ALA 446 Ca 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3ag3 h ALA 446 Cb 1.44 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3ag3 h ALA 446 CO -0.27 -0.47 0.00 0.66 0.00 0.00 0.00 179.25 179.17 3ag3 n TYR 447 N -3.81 0.19 -0.09 0.00 4.01 -0.46 -4.42 117.16 112.59 3ag3 n TYR 447 Ca 0.05 -0.10 -0.12 0.00 -0.16 0.00 0.00 57.90 57.57 3ag3 n TYR 447 Cb 0.47 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.45 3ag3 n TYR 447 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3ag3 h THR 448 N 1.16 1.30 -0.36 -0.72 2.02 -1.45 -2.98 112.91 111.88 3ag3 h THR 448 Ca 0.00 -1.24 0.01 0.00 0.77 0.00 0.00 66.41 65.96 3ag3 h THR 448 Cb 0.26 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 3ag3 h THR 448 CO 0.00 0.39 0.21 -0.03 0.37 0.00 0.00 175.52 176.46 3ag3 h MET 449 N 0.28 0.42 0.00 6.66 1.85 -1.84 -0.54 114.93 121.77 3ag3 h MET 449 Ca 0.06 -0.03 -0.14 0.00 -0.61 0.00 0.00 59.70 58.98 3ag3 h MET 449 Cb 0.66 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 32.57 3ag3 h MET 449 CO 0.04 0.28 -0.65 -1.49 -0.40 0.00 0.00 176.91 174.69 3ag3 h TRP 450 N 0.44 0.00 -0.46 1.39 -0.00 -1.89 -1.78 115.95 113.66 3ag3 h TRP 450 Ca 0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.99 3ag3 h TRP 450 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.14 3ag3 h TRP 450 CO -0.07 0.65 0.10 -0.91 -0.00 0.00 0.00 178.44 178.21 3ag3 h ASN 451 N 0.00 0.70 0.30 -3.49 2.35 -1.30 -0.54 115.58 113.61 3ag3 h ASN 451 Ca -0.01 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3ag3 h ASN 451 Cb 1.19 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.35 3ag3 h ASN 451 CO 0.09 0.76 -0.32 0.74 -1.65 0.00 0.00 177.43 177.05 3ag3 h THR 452 N 0.61 0.33 -0.84 2.81 2.02 -0.90 -0.09 112.91 116.85 3ag3 h THR 452 Ca 0.14 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.36 3ag3 h THR 452 Cb 0.34 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 3ag3 h THR 452 CO 0.00 0.00 0.54 0.40 0.37 0.00 0.00 175.52 176.83 3ag3 h ILE 453 N -0.66 1.11 -0.68 3.11 2.04 -1.27 -1.57 117.51 119.60 3ag3 h ILE 453 Ca -0.01 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 3ag3 h ILE 453 Cb 0.60 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3ag3 h ILE 453 CO -0.07 0.19 0.29 -1.28 0.00 0.00 0.00 178.15 177.28 3ag3 h SER 454 N 1.03 0.93 -0.14 1.72 0.87 -0.90 -0.28 113.55 116.77 3ag3 h SER 454 Ca 0.34 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.69 3ag3 h SER 454 Cb 0.04 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 3ag3 h SER 454 CO -0.13 0.83 -0.08 0.28 -0.53 0.00 0.00 176.83 177.20 3ag3 h SER 455 N 0.96 0.44 -0.71 6.23 0.02 -0.76 -1.73 113.55 118.00 3ag3 h SER 455 Ca 0.23 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 61.05 3ag3 h SER 455 Cb 0.17 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3ag3 h SER 455 CO -0.02 0.56 0.30 0.24 -1.14 0.00 0.00 176.83 176.77 3ag3 h MET 456 N 0.43 1.06 -0.73 3.45 2.07 -0.84 -2.32 114.93 118.06 3ag3 h MET 456 Ca 0.09 -0.18 0.05 0.00 -2.07 0.00 0.00 59.70 57.59 3ag3 h MET 456 Cb 0.41 -0.18 -0.05 0.00 -1.87 0.00 0.00 31.60 29.91 3ag3 h MET 456 CO 0.02 0.86 0.44 0.78 1.07 0.00 0.00 176.91 180.08 3ag3 h GLY 457 N 1.10 1.08 0.69 8.32 0.00 -0.21 -1.86 103.07 112.19 3ag3 h GLY 457 Ca 0.24 -0.32 0.10 0.00 0.00 0.00 0.00 47.33 47.36 3ag3 h GLY 457 CO -0.02 0.22 0.59 1.48 0.00 0.00 0.00 176.54 178.81 3ag3 h SER 458 N 0.82 0.83 0.18 0.19 4.64 -0.80 0.10 113.55 119.51 3ag3 h SER 458 Ca 0.32 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.58 3ag3 h SER 458 Cb 0.13 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3ag3 h SER 458 CO -0.16 0.48 -0.31 -0.26 -0.87 0.00 0.00 176.83 175.71 3ag3 h PHE 459 N 0.91 0.24 -0.58 4.77 0.05 -1.28 -1.80 116.94 119.25 3ag3 h PHE 459 Ca 0.42 -0.05 -0.03 0.00 3.82 0.00 0.00 57.97 62.14 3ag3 h PHE 459 Cb 0.40 -0.06 -0.03 0.00 2.00 0.00 0.00 35.95 38.27 3ag3 h PHE 459 CO -0.00 0.51 0.25 0.82 -0.18 0.00 0.00 178.31 179.71 3ag3 h ILE 460 N 0.19 1.22 -0.47 -0.55 2.04 -0.71 -1.65 117.51 117.58 3ag3 h ILE 460 Ca 0.03 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 3ag3 h ILE 460 Cb 0.65 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3ag3 h ILE 460 CO 0.05 0.26 0.12 0.28 0.00 0.00 0.00 178.15 178.86 3ag3 h SER 461 N 0.79 0.64 -0.76 1.72 0.02 -1.29 -1.94 113.55 112.73 3ag3 h SER 461 Ca 0.20 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3ag3 h SER 461 Cb 0.17 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3ag3 h SER 461 CO -0.02 0.63 0.44 0.25 -1.14 0.00 0.00 176.83 176.99 3ag3 h LEU 462 N 0.68 0.93 -0.88 5.07 5.85 -1.02 -1.39 115.31 124.55 3ag3 h LEU 462 Ca 0.16 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3ag3 h LEU 462 Cb 0.24 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3ag3 h LEU 462 CO -0.00 0.74 0.56 0.74 -0.34 0.00 0.00 178.44 180.14 3ag3 h THR 463 N 1.05 1.11 -0.51 1.05 2.02 -0.73 -0.59 112.91 116.32 3ag3 h THR 463 Ca 0.27 -0.37 0.05 0.00 0.77 0.00 0.00 66.41 67.14 3ag3 h THR 463 Cb -0.00 -0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.31 3ag3 h THR 463 CO -0.05 0.20 0.23 0.00 0.37 0.00 0.00 175.52 176.27 3ag3 h ALA 464 N 1.38 0.65 -0.51 6.16 0.00 -0.64 -0.90 119.26 125.40 3ag3 h ALA 464 Ca 0.36 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 3ag3 h ALA 464 Cb 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3ag3 h ALA 464 CO -0.14 -0.13 0.10 0.28 0.00 0.00 0.00 179.25 179.36 3ag3 h VAL 465 N 0.45 1.25 -0.72 0.00 2.07 -0.68 0.24 116.25 118.86 3ag3 h VAL 465 Ca 0.23 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 3ag3 h VAL 465 Cb 0.18 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3ag3 h VAL 465 CO -0.19 0.32 0.32 0.24 0.02 0.00 0.00 177.57 178.29 3ag3 h MET 466 N 0.71 1.04 -0.62 1.57 2.86 -0.93 -2.50 114.93 117.07 3ag3 h MET 466 Ca 0.16 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 3ag3 h MET 466 Cb 0.37 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3ag3 h MET 466 CO 0.01 0.84 0.06 1.25 1.06 0.00 0.00 176.91 180.12 3ag3 h LEU 467 N 1.01 1.03 -0.95 1.22 5.85 -0.57 -2.15 115.31 120.75 3ag3 h LEU 467 Ca 0.24 -0.28 0.14 0.00 0.84 0.00 0.00 57.88 58.82 3ag3 h LEU 467 Cb 0.15 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 40.82 3ag3 h LEU 467 CO -0.03 1.05 0.57 -0.03 -0.34 0.00 0.00 178.44 179.67 3ag3 h MET 468 N 0.97 0.81 -0.47 1.25 4.05 -0.12 0.17 114.93 121.58 3ag3 h MET 468 Ca 0.18 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.46 3ag3 h MET 468 Cb 0.49 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 3ag3 h MET 468 CO 0.02 0.54 -0.07 0.28 0.23 0.00 0.00 176.91 177.90 3ag3 h VAL 469 N 0.83 1.27 -0.83 -5.77 2.07 -1.08 -1.37 116.25 111.37 3ag3 h VAL 469 Ca 0.50 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 3ag3 h VAL 469 Cb 0.62 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3ag3 h VAL 469 CO -0.31 0.41 0.37 0.15 0.02 0.00 0.00 177.57 178.21 3ag3 h PHE 470 N 0.73 1.22 -0.70 1.57 3.57 -0.64 -0.77 116.94 121.91 3ag3 h PHE 470 Ca 0.12 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3ag3 h PHE 470 Cb 0.61 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 3ag3 h PHE 470 CO 0.05 0.89 0.45 0.82 -2.23 0.00 0.00 178.31 178.29 3ag3 h ILE 471 N 1.19 1.19 -0.30 1.41 2.04 -0.28 0.26 117.51 123.03 3ag3 h ILE 471 Ca 0.28 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3ag3 h ILE 471 Cb 0.15 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3ag3 h ILE 471 CO -0.03 0.19 0.19 0.40 0.00 0.00 0.00 178.15 178.90 3ag3 h ILE 472 N 0.96 1.08 -0.79 -0.67 2.04 -0.92 -2.30 117.51 116.90 3ag3 h ILE 472 Ca 0.26 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 3ag3 h ILE 472 Cb -0.07 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 3ag3 h ILE 472 CO -0.05 0.08 0.45 -0.25 0.00 0.00 0.00 178.15 178.38 3ag3 h TRP 473 N 0.40 1.07 -0.13 1.37 7.01 -0.22 -2.25 115.95 123.20 3ag3 h TRP 473 Ca 0.11 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 3ag3 h TRP 473 Cb -0.03 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 26.67 3ag3 h TRP 473 CO -0.05 0.74 0.01 1.49 -2.79 0.00 0.00 178.44 177.83 3ag3 h GLU 474 N 1.09 0.18 -0.07 2.65 4.22 -0.14 0.36 114.58 122.87 3ag3 h GLU 474 Ca 0.28 -0.02 -0.18 0.00 0.08 0.00 0.00 59.36 59.52 3ag3 h GLU 474 Cb 0.01 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.23 3ag3 h GLU 474 CO -0.05 0.20 -0.65 0.00 -2.18 0.00 0.00 179.01 176.33 3ag3 h ALA 475 N 1.83 0.18 0.00 2.92 0.00 -0.87 -0.32 119.26 122.99 3ag3 h ALA 475 Ca 0.05 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 3ag3 h ALA 475 Cb 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ag3 h ALA 475 CO 0.00 0.47 -0.40 0.74 0.00 0.00 0.00 179.25 180.06 3ag3 h PHE 476 N 0.17 0.00 0.02 0.00 -1.00 -0.96 -2.25 116.94 112.91 3ag3 h PHE 476 Ca -0.06 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.46 3ag3 h PHE 476 Cb 1.30 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.89 3ag3 h PHE 476 CO 0.12 0.40 -1.02 0.00 -1.61 0.00 0.00 178.31 176.19 3ag3 h ALA 477 N 1.60 0.10 0.00 2.45 0.00 -0.04 -3.35 119.26 120.03 3ag3 h ALA 477 Ca -0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 54.91 54.04 3ag3 h ALA 477 Cb 0.90 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3ag3 h ALA 477 CO 0.05 0.65 -1.08 0.77 0.00 0.00 0.00 179.25 179.64 3ag3 h SER 478 N 0.32 0.00 -5.22 0.00 0.02 -1.04 -3.49 113.55 104.15 3ag3 h SER 478 Ca -0.13 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.56 3ag3 h SER 478 Cb 1.69 0.00 0.16 0.00 0.14 0.00 0.00 62.40 64.39 3ag3 h SER 478 CO 0.20 0.68 -0.72 0.29 -1.14 0.00 0.00 176.83 176.14 3ag3 n LYS 479 N -3.10 -4.15 -2.80 3.45 5.02 -0.85 -4.96 118.16 110.76 3ag3 n LYS 479 Ca -0.05 0.76 -0.43 0.00 -2.02 0.00 0.00 58.31 56.58 3ag3 n LYS 479 Cb 0.85 -5.44 -0.04 0.00 -0.02 0.00 0.00 35.03 30.38 3ag3 n LYS 479 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ag3 s ARG 480 N -4.77 3.64 -0.08 1.97 0.52 -1.26 -5.02 118.95 113.94 3ag3 s ARG 480 Ca 0.18 0.31 -0.22 0.00 -0.52 0.00 0.00 55.73 55.48 3ag3 s ARG 480 Cb -0.02 -3.89 -0.04 0.00 0.52 0.00 0.00 34.95 31.52 3ag3 s ARG 480 CO 0.65 -1.15 0.65 -1.21 0.02 0.00 0.00 175.30 174.26 3ag3 s GLU 481 N 3.71 4.41 0.29 3.54 2.02 -1.26 -1.68 118.70 129.73 3ag3 s GLU 481 Ca 0.38 0.78 -0.30 0.00 0.02 0.00 0.00 54.97 55.84 3ag3 s GLU 481 Cb -0.10 -3.44 -0.12 0.00 0.10 0.00 0.00 34.13 30.56 3ag3 s GLU 481 CO 0.24 0.09 1.58 0.28 0.02 0.00 0.00 175.26 177.47 3ag3 n VAL 482 N 3.74 1.01 -0.01 2.63 0.31 -0.05 -4.94 118.33 121.03 3ag3 n VAL 482 Ca -0.03 -0.25 -0.01 0.00 -0.01 0.00 0.00 64.34 64.05 3ag3 n VAL 482 Cb 0.51 -1.91 -0.00 0.00 -0.91 0.00 0.00 33.84 31.53 3ag3 n VAL 482 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3ag3 n LEU 483 N 2.17 0.14 -4.29 7.52 4.77 -1.26 -4.89 117.00 121.16 3ag3 n LEU 483 Ca 0.09 0.15 -0.29 0.00 -0.03 0.00 0.00 56.01 55.93 3ag3 n LEU 483 Cb 0.36 -0.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.77 3ag3 n LEU 483 CO 0.64 -0.49 -0.55 -0.89 -1.33 0.00 0.00 177.39 174.76 3ag3 s THR 484 N -1.12 1.93 0.03 -5.08 2.01 -1.26 -4.95 115.64 107.21 3ag3 s THR 484 Ca -0.02 -1.13 0.05 0.00 0.31 0.00 0.00 61.69 60.91 3ag3 s THR 484 Cb 0.00 -1.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 3ag3 s THR 484 CO 0.02 0.47 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.57 3ag3 s VAL 485 N -0.64 1.24 0.71 3.82 1.01 -1.26 -5.16 120.40 120.12 3ag3 s VAL 485 Ca 0.10 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 3ag3 s VAL 485 Cb -0.09 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.22 3ag3 s VAL 485 CO 0.00 0.09 1.07 -0.62 0.00 0.00 0.00 175.10 175.64 3ag3 s ASP 486 N -1.06 5.18 -1.68 3.32 -1.08 -1.26 -4.36 116.67 115.74 3ag3 s ASP 486 Ca 0.03 0.90 -0.02 0.00 -0.52 0.00 0.00 52.55 52.95 3ag3 s ASP 486 Cb -0.08 -1.64 0.00 0.00 -1.46 0.00 0.00 42.92 39.74 3ag3 s ASP 486 CO 0.01 -1.46 0.20 0.18 0.52 0.00 0.00 175.17 174.62 3ag3 n LEU 487 N -3.00 -2.13 0.28 -1.34 4.77 -1.26 -4.89 117.00 109.43 3ag3 n LEU 487 Ca 0.07 -0.10 0.19 0.00 -0.03 0.00 0.00 56.01 56.14 3ag3 n LEU 487 Cb 0.59 -2.91 0.87 0.00 -2.33 0.00 0.00 43.42 39.64 3ag3 n LEU 487 CO 0.56 -0.07 1.05 0.71 -1.33 0.00 0.00 177.39 178.31 3ag3 h THR 488 N -0.45 0.00 0.00 -5.08 1.35 -1.83 -1.64 112.91 105.25 3ag3 h THR 488 Ca -0.50 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3ag3 h THR 488 Cb 1.36 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 3ag3 h THR 488 CO 0.57 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 176.55 3ag3 h THR 489 N 0.00 0.00 0.00 6.82 1.35 -1.95 -1.88 112.91 117.25 3ag3 h THR 489 Ca 0.00 -0.31 -0.05 0.00 -0.55 0.00 0.00 66.41 65.50 3ag3 h THR 489 Cb 0.27 1.13 -0.12 0.00 -1.73 0.00 0.00 68.15 67.70 3ag3 h THR 489 CO 0.00 0.00 -0.62 0.35 -0.25 0.00 0.00 175.52 175.00 3ag3 n THR 490 N -2.55 1.45 -2.92 6.82 -2.24 -0.64 -4.84 114.28 109.35 3ag3 n THR 490 Ca 0.01 -2.39 -0.11 0.00 -2.27 0.00 0.00 64.05 59.29 3ag3 n THR 490 Cb 0.24 0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.62 3ag3 n THR 490 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ag3 n ASN 491 N -0.62 -2.39 0.12 3.42 3.02 -0.71 -5.00 115.26 113.10 3ag3 n ASN 491 Ca 0.14 -2.89 0.11 0.00 -0.03 0.00 0.00 54.58 51.90 3ag3 n ASN 491 Cb 0.82 1.10 0.60 0.00 -0.61 0.00 0.00 39.78 41.69 3ag3 n ASN 491 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3ag3 h LEU 492 N 4.75 0.12 -0.54 3.41 5.85 -1.89 -2.26 115.31 124.76 3ag3 h LEU 492 Ca 0.05 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3ag3 h LEU 492 Cb 1.03 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3ag3 h LEU 492 CO 0.21 0.08 0.00 -1.84 -0.34 0.00 0.00 178.44 176.55 3ag3 n GLU 493 N -4.49 0.12 0.00 1.25 0.00 -1.26 -1.73 120.64 114.54 3ag3 n GLU 493 Ca 0.02 0.40 0.12 0.00 0.00 0.00 0.00 57.16 57.71 3ag3 n GLU 493 Cb 0.24 -1.75 0.18 0.00 0.00 0.00 0.00 31.44 30.10 3ag3 n GLU 493 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 3ag3 n TRP 494 N -1.99 0.00 1.28 -1.84 7.02 -0.85 -4.41 117.44 116.65 3ag3 n TRP 494 Ca 0.02 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.63 3ag3 n TRP 494 Cb 0.18 -0.13 0.68 0.00 -2.42 0.00 0.00 31.31 29.63 3ag3 n TRP 494 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 3ag3 n LEU 495 N -1.02 0.00 -1.20 -0.99 7.94 -0.70 -2.22 117.00 118.81 3ag3 n LEU 495 Ca 0.08 0.30 0.11 0.00 -1.11 0.00 0.00 56.01 55.38 3ag3 n LEU 495 Cb 0.36 -0.30 0.27 0.00 0.53 0.00 0.00 43.42 44.29 3ag3 n LEU 495 CO 0.33 -0.03 0.73 0.59 -1.11 0.00 0.00 177.39 177.90 3ag3 n ASN 496 N -1.30 3.69 0.00 1.96 3.02 -1.26 -5.08 115.26 116.29 3ag3 n ASN 496 Ca 0.13 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 3ag3 n ASN 496 Cb 0.22 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 3ag3 n ASN 496 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ag3 n GLY 497 N 1.45 -0.46 2.76 7.41 0.00 -0.94 -4.39 105.19 111.02 3ag3 n GLY 497 Ca 0.21 -1.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.17 3ag3 n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag3 s PRO 499 N 1.91 2.10 0.77 0.00 0.04 -1.25 -4.30 135.00 134.27 3ag3 s PRO 499 Ca 0.02 0.39 -0.11 0.00 0.04 0.00 0.00 61.00 61.35 3ag3 s PRO 499 Cb -0.14 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.51 3ag3 s PRO 499 CO -0.07 -1.56 1.09 -1.25 0.04 0.00 0.00 177.00 175.26 3ag3 s PRO 500 N -5.34 2.29 0.72 0.56 0.04 -0.84 -4.97 135.00 127.46 3ag3 s PRO 500 Ca 0.61 1.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.67 3ag3 s PRO 500 Cb -0.13 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.52 3ag3 s PRO 500 CO 0.52 -1.62 1.04 -2.30 0.04 0.00 0.00 177.00 174.68 3ag3 n PRO 501 N -3.46 0.57 -0.20 0.56 -0.02 -1.26 -4.92 135.00 126.27 3ag3 n PRO 501 Ca 0.09 0.25 -0.04 0.00 -2.02 0.00 0.00 63.50 61.78 3ag3 n PRO 501 Cb 0.53 -2.29 0.02 0.00 -0.02 0.00 0.00 33.50 31.74 3ag3 n PRO 501 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ag3 h TYR 502 N -0.19 -0.81 -3.66 6.00 5.03 -2.01 -3.33 116.97 118.00 3ag3 h TYR 502 Ca -0.48 0.07 -0.62 0.00 2.58 0.00 0.00 58.73 60.28 3ag3 h TYR 502 Cb 1.33 0.44 -0.14 0.00 1.55 0.00 0.00 36.73 39.91 3ag3 h TYR 502 CO 0.41 -0.36 -0.26 -1.01 -1.32 0.00 0.00 178.16 175.62 3ag3 s HIS 503 N -6.05 3.28 0.20 -3.82 3.76 -1.26 -4.91 115.29 106.49 3ag3 s HIS 503 Ca -0.14 0.43 0.09 0.00 -0.15 0.00 0.00 55.06 55.29 3ag3 s HIS 503 Cb 0.16 -2.53 -0.04 0.00 1.11 0.00 0.00 32.58 31.28 3ag3 s HIS 503 CO 0.70 -0.15 -0.07 0.95 -0.85 0.00 0.00 174.74 175.31 3ag3 s THR 504 N 1.81 3.25 -1.49 1.30 -4.23 -1.25 -4.69 115.64 110.33 3ag3 s THR 504 Ca 0.15 -1.73 -0.04 0.00 -1.18 0.00 0.00 61.69 58.89 3ag3 s THR 504 Cb -0.15 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.05 3ag3 s THR 504 CO 0.09 -0.18 0.54 0.49 -0.54 0.00 0.00 174.62 175.02 3ag3 n PHE 505 N -0.19 -1.80 -0.02 3.99 3.72 -1.26 -4.40 117.46 117.49 3ag3 n PHE 505 Ca -0.10 0.46 -0.04 0.00 -0.05 0.00 0.00 57.45 57.73 3ag3 n PHE 505 Cb 0.56 -4.30 0.18 0.00 -0.94 0.00 0.00 39.48 34.98 3ag3 n PHE 505 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3ag3 h GLU 506 N -1.24 0.57 -4.79 -1.08 5.08 -1.94 -3.30 114.58 107.88 3ag3 h GLU 506 Ca -0.50 -0.21 -0.66 0.00 -1.00 0.00 0.00 59.36 56.99 3ag3 h GLU 506 Cb 1.35 -0.04 -0.19 0.00 0.50 0.00 0.00 28.75 30.37 3ag3 h GLU 506 CO 0.54 0.75 -0.50 -2.00 -1.00 0.00 0.00 179.01 176.79 3ag3 s GLU 507 N -4.58 3.64 0.90 2.33 2.12 -1.26 -5.09 118.70 116.76 3ag3 s GLU 507 Ca -0.08 -0.53 -0.11 0.00 0.36 0.00 0.00 54.97 54.61 3ag3 s GLU 507 Cb 0.14 -3.72 0.13 0.00 0.26 0.00 0.00 34.13 30.94 3ag3 s GLU 507 CO 0.80 -0.34 1.10 -1.25 -0.54 0.00 0.00 175.26 175.03 3ag3 s PRO 508 N 1.72 1.24 1.01 4.30 0.04 -1.24 -5.00 135.00 137.06 3ag3 s PRO 508 Ca 0.06 1.09 -0.12 0.00 0.04 0.00 0.00 61.00 62.07 3ag3 s PRO 508 Cb -0.17 -1.79 0.19 0.00 0.04 0.00 0.00 34.50 32.78 3ag3 s PRO 508 CO 0.10 -2.33 1.08 0.95 0.04 0.00 0.00 177.00 176.84 3ag3 s THR 509 N -2.81 2.26 -0.23 1.26 -4.23 -1.26 -5.00 115.64 105.63 3ag3 s THR 509 Ca 0.64 0.08 -0.05 0.00 -1.18 0.00 0.00 61.69 61.19 3ag3 s THR 509 Cb -0.20 -2.39 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 3ag3 s THR 509 CO 0.58 -0.11 -0.02 -0.47 -0.54 0.00 0.00 174.62 174.06 3ag3 s TYR 510 N -2.77 3.00 -0.06 3.99 6.14 -1.26 -5.03 117.35 121.35 3ag3 s TYR 510 Ca 0.66 -0.87 -0.00 0.00 0.64 0.00 0.00 57.07 57.50 3ag3 s TYR 510 Cb -0.21 -2.14 0.02 0.00 0.42 0.00 0.00 41.96 40.06 3ag3 s TYR 510 CO 0.60 -0.52 -0.03 0.08 0.64 0.00 0.00 175.55 176.31 3ag3 s VAL 511 N 1.50 0.52 0.46 3.14 1.01 -1.26 -5.14 120.40 120.63 3ag3 s VAL 511 Ca 0.06 -0.04 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 3ag3 s VAL 511 Cb -0.15 -0.60 -0.10 0.00 0.00 0.00 0.00 36.38 35.54 3ag3 s VAL 511 CO -0.02 0.26 0.97 0.20 0.00 0.00 0.00 175.10 176.50 3ag3 s ASN 512 N 1.44 6.80 -0.20 3.32 0.02 -1.26 -4.49 114.94 120.57 3ag3 s ASN 512 Ca -0.03 1.65 -0.21 0.00 -1.02 0.00 0.00 52.86 53.25 3ag3 s ASN 512 Cb -0.13 -2.53 -0.18 0.00 0.02 0.00 0.00 41.25 38.42 3ag3 s ASN 512 CO -0.03 -0.46 0.21 -0.07 0.02 0.00 0.00 177.10 176.77 3ag3 h LEU 513 N 1.51 0.00 0.00 0.60 3.38 -2.00 -3.48 115.31 115.33 3ag3 h LEU 513 Ca -0.48 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.00 3ag3 h LEU 513 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3ag3 h LEU 513 CO 0.61 1.45 0.00 0.29 0.09 0.00 0.00 178.44 180.88