#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 1.24 -0.85 -2.13 2.04 -2.01 0.40 117.51 116.20 3ag3 h ILE 3 Ca 0.00 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 3ag3 h ILE 3 Cb 0.00 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 3ag3 h ILE 3 CO 0.00 0.31 0.42 0.78 0.00 0.00 0.00 178.15 179.65 3ag3 h ASN 4 N 0.93 1.10 -0.00 1.72 2.35 -1.96 -0.63 115.58 119.08 3ag3 h ASN 4 Ca 0.21 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3ag3 h ASN 4 Cb 0.24 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3ag3 h ASN 4 CO -0.01 0.92 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.57 3ag3 h ARG 5 N 1.21 0.03 0.00 0.81 2.43 -1.83 -3.18 114.38 113.83 3ag3 h ARG 5 Ca 0.29 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3ag3 h ARG 5 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3ag3 h ARG 5 CO -0.04 0.71 -1.95 0.91 -1.51 0.00 0.00 179.97 178.09 3ag3 n TRP 6 N -4.73 0.01 -0.05 2.20 7.02 0.10 -3.55 117.44 118.44 3ag3 n TRP 6 Ca -0.09 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.38 3ag3 n TRP 6 Cb 0.36 -0.48 -0.13 0.00 -2.42 0.00 0.00 31.31 28.63 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 -2.23 0.00 -1.33 -0.99 4.32 -0.29 -4.61 117.00 111.86 3ag3 n LEU 7 Ca -0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.95 3ag3 n LEU 7 Cb 0.56 0.24 0.25 0.00 -1.62 0.00 0.00 43.42 42.85 3ag3 n LEU 7 CO 0.46 0.24 0.82 0.49 -1.22 0.00 0.00 177.39 178.18 3ag3 n PHE 8 N -2.40 1.49 -1.49 -1.77 3.72 -0.93 -5.04 117.46 111.04 3ag3 n PHE 8 Ca -0.17 -1.24 -0.35 0.00 -0.05 0.00 0.00 57.45 55.64 3ag3 n PHE 8 Cb 0.80 -0.50 0.09 0.00 -0.94 0.00 0.00 39.48 38.93 3ag3 n PHE 8 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ag3 s SER 9 N -1.86 4.21 -0.08 4.37 0.15 -1.22 -4.89 113.70 114.37 3ag3 s SER 9 Ca 0.47 2.50 0.24 0.00 0.70 0.00 0.00 55.95 59.86 3ag3 s SER 9 Cb 0.40 -2.60 0.45 0.00 -1.71 0.00 0.00 66.02 62.55 3ag3 s SER 9 CO 0.07 -2.26 1.16 0.35 1.20 0.00 0.00 173.24 173.76 3ag3 n THR 10 N -2.48 0.49 -4.72 6.45 -2.24 -1.26 -4.60 114.28 105.92 3ag3 n THR 10 Ca 0.15 -1.65 -0.33 0.00 -2.27 0.00 0.00 64.05 59.94 3ag3 n THR 10 Cb 0.49 0.95 -0.15 0.00 -2.10 0.00 0.00 70.33 69.52 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 -2.53 3.64 0.40 3.42 3.84 -1.26 -4.79 114.94 117.65 3ag3 s ASN 11 Ca 0.33 -0.45 0.10 0.00 0.21 0.00 0.00 52.86 53.04 3ag3 s ASN 11 Cb 0.37 -1.55 0.84 0.00 -0.55 0.00 0.00 41.25 40.37 3ag3 s ASN 11 CO -0.13 0.12 1.96 1.12 -2.79 0.00 0.00 177.10 177.38 3ag3 h HIS 12 N 7.04 0.28 -0.00 0.43 2.07 -1.92 -1.23 115.15 121.81 3ag3 h HIS 12 Ca -0.28 -0.02 -0.14 0.00 -2.85 0.00 0.00 60.37 57.07 3ag3 h HIS 12 Cb 1.20 -0.08 0.01 0.00 2.57 0.00 0.00 27.41 31.11 3ag3 h HIS 12 CO 0.50 0.33 -0.55 0.87 -3.07 0.00 0.00 177.93 176.00 3ag3 h LYS 13 N 0.27 0.38 -0.39 5.12 1.57 -1.90 -0.51 116.57 121.10 3ag3 h LYS 13 Ca 0.06 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.39 3ag3 h LYS 13 Cb 0.26 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3ag3 h LYS 13 CO 0.01 1.08 0.05 -0.44 -0.57 0.00 0.00 179.45 179.58 3ag3 h ASP 14 N -0.16 0.64 -0.62 0.86 3.45 -1.93 0.67 116.42 119.33 3ag3 h ASP 14 Ca -0.07 -0.27 -0.03 0.00 0.43 0.00 0.00 57.03 57.09 3ag3 h ASP 14 Cb 1.27 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 39.84 3ag3 h ASP 14 CO 0.11 0.75 0.28 0.40 -1.57 0.00 0.00 179.24 179.20 3ag3 h ILE 15 N 0.50 1.22 -0.74 0.35 2.04 -1.26 -0.80 117.51 118.83 3ag3 h ILE 15 Ca 0.12 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.32 3ag3 h ILE 15 Cb 0.39 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 3ag3 h ILE 15 CO 0.01 0.26 0.48 1.23 0.00 0.00 0.00 178.15 180.14 3ag3 h GLY 16 N 0.86 1.04 0.89 5.37 0.00 -0.54 -1.34 103.07 109.34 3ag3 h GLY 16 Ca 0.21 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.15 3ag3 h GLY 16 CO -0.02 0.38 -0.05 -0.84 0.00 0.00 0.00 176.54 176.01 3ag3 h THR 17 N 1.00 0.87 -0.67 4.70 2.02 -0.45 -1.68 112.91 118.71 3ag3 h THR 17 Ca 0.27 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.57 3ag3 h THR 17 Cb -0.11 0.87 -0.09 0.00 -1.74 0.00 0.00 68.15 67.09 3ag3 h THR 17 CO -0.06 0.00 0.22 -0.07 0.37 0.00 0.00 175.52 175.99 3ag3 h LEU 18 N -0.10 0.17 -1.30 2.58 3.38 -0.69 -1.13 115.31 118.21 3ag3 h LEU 18 Ca 0.02 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3ag3 h LEU 18 Cb 0.12 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3ag3 h LEU 18 CO -0.04 0.08 -0.25 1.88 0.09 0.00 0.00 178.44 180.20 3ag3 h TYR 19 N 0.37 0.17 -0.39 1.13 0.05 -0.90 -0.99 116.97 116.41 3ag3 h TYR 19 Ca 0.36 -0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.99 3ag3 h TYR 19 Cb 0.51 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 3ag3 h TYR 19 CO -0.20 0.40 -0.23 -0.07 -1.05 0.00 0.00 178.16 177.01 3ag3 h LEU 20 N 0.14 0.88 -0.29 3.88 3.38 -0.88 0.80 115.31 123.22 3ag3 h LEU 20 Ca 0.02 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 3ag3 h LEU 20 Cb 0.52 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3ag3 h LEU 20 CO 0.04 1.10 -0.11 -0.07 0.09 0.00 0.00 178.44 179.49 3ag3 h LEU 21 N 0.65 0.60 -0.30 1.67 3.38 -0.98 -0.48 115.31 119.85 3ag3 h LEU 21 Ca 0.08 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.70 3ag3 h LEU 21 Cb 0.79 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3ag3 h LEU 21 CO 0.06 0.86 0.06 0.15 0.09 0.00 0.00 178.44 179.67 3ag3 h PHE 22 N 0.34 0.11 -0.34 1.13 3.57 -1.04 -1.16 116.94 119.55 3ag3 h PHE 22 Ca 0.07 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 3ag3 h PHE 22 Cb 0.62 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 3ag3 h PHE 22 CO 0.06 0.03 -0.20 0.78 -2.23 0.00 0.00 178.31 176.75 3ag3 h GLY 23 N 0.18 0.69 0.96 2.40 0.00 -0.75 0.00 103.07 106.55 3ag3 h GLY 23 Ca 0.14 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 3ag3 h GLY 23 CO -0.18 0.50 0.07 0.00 0.00 0.00 0.00 176.54 176.93 3ag3 h ALA 24 N 1.22 0.60 -0.37 3.60 0.00 -0.77 0.15 119.26 123.68 3ag3 h ALA 24 Ca 0.09 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3ag3 h ALA 24 Cb 0.65 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3ag3 h ALA 24 CO 0.05 0.32 -0.24 2.35 0.00 0.00 0.00 179.25 181.73 3ag3 h TRP 25 N 0.61 0.86 -0.85 0.00 7.01 -0.88 -2.29 115.95 120.42 3ag3 h TRP 25 Ca 0.14 -0.20 -0.00 0.00 2.11 0.00 0.00 58.89 60.93 3ag3 h TRP 25 Cb 0.39 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 3ag3 h TRP 25 CO 0.03 0.92 0.52 0.00 -2.79 0.00 0.00 178.44 177.12 3ag3 h ALA 26 N 1.07 1.08 -0.20 2.65 0.00 -0.77 -1.77 119.26 121.33 3ag3 h ALA 26 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ag3 h ALA 26 Cb 0.75 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3ag3 h ALA 26 CO 0.06 0.54 0.05 0.78 0.00 0.00 0.00 179.25 180.68 3ag3 h GLY 27 N 1.16 0.29 0.88 0.00 0.00 -0.17 0.12 103.07 105.36 3ag3 h GLY 27 Ca 0.30 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 3ag3 h GLY 27 CO -0.06 0.12 -0.03 -0.33 0.00 0.00 0.00 176.54 176.24 3ag3 h MET 28 N 0.27 0.54 -0.25 4.80 2.07 -0.87 -0.31 114.93 121.19 3ag3 h MET 28 Ca 0.07 -0.19 0.03 0.00 -2.07 0.00 0.00 59.70 57.53 3ag3 h MET 28 Cb 0.10 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.76 3ag3 h MET 28 CO -0.00 0.71 0.08 0.28 1.07 0.00 0.00 176.91 179.05 3ag3 h VAL 29 N 0.32 0.93 -0.56 -2.22 2.07 -0.98 -1.38 116.25 114.43 3ag3 h VAL 29 Ca 0.08 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.56 3ag3 h VAL 29 Cb 0.49 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3ag3 h VAL 29 CO 0.02 0.03 0.34 1.23 0.02 0.00 0.00 177.57 179.21 3ag3 h GLY 30 N 0.19 0.79 1.10 2.17 0.00 -0.88 -0.99 103.07 105.44 3ag3 h GLY 30 Ca 0.11 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 3ag3 h GLY 30 CO -0.12 0.22 -0.04 -0.84 0.00 0.00 0.00 176.54 175.76 3ag3 h THR 31 N 0.67 1.27 -0.61 4.70 2.02 -0.89 -1.58 112.91 118.49 3ag3 h THR 31 Ca 0.22 -1.20 -0.10 0.00 0.77 0.00 0.00 66.41 66.11 3ag3 h THR 31 Cb 0.02 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3ag3 h THR 31 CO -0.09 0.43 -0.01 0.00 0.37 0.00 0.00 175.52 176.22 3ag3 h ALA 32 N 0.97 0.84 -0.59 6.16 0.00 -0.84 -1.08 119.26 124.72 3ag3 h ALA 32 Ca 0.16 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ag3 h ALA 32 Cb 0.60 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3ag3 h ALA 32 CO 0.04 0.67 0.37 -0.07 0.00 0.00 0.00 179.25 180.26 3ag3 h LEU 33 N 0.98 0.63 -1.58 0.00 3.38 -1.09 -0.45 115.31 117.17 3ag3 h LEU 33 Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3ag3 h LEU 33 Cb 0.57 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3ag3 h LEU 33 CO 0.03 0.45 0.12 0.77 0.09 0.00 0.00 178.44 179.90 3ag3 h SER 34 N 0.75 0.35 0.34 -0.43 4.64 -0.71 -1.94 113.55 116.56 3ag3 h SER 34 Ca 0.23 -0.03 -0.25 0.00 -0.47 0.00 0.00 61.79 61.27 3ag3 h SER 34 Cb -0.03 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3ag3 h SER 34 CO -0.08 0.32 -1.04 -0.07 -0.87 0.00 0.00 176.83 175.09 3ag3 h LEU 35 N 0.40 0.58 -0.88 5.97 3.38 -0.59 -1.89 115.31 122.28 3ag3 h LEU 35 Ca 0.10 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3ag3 h LEU 35 Cb 0.07 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3ag3 h LEU 35 CO -0.01 1.32 0.51 -0.07 0.09 0.00 0.00 178.44 180.28 3ag3 h LEU 36 N 0.22 1.08 0.17 1.67 3.38 -0.63 0.13 115.31 121.32 3ag3 h LEU 36 Ca -0.11 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3ag3 h LEU 36 Cb 1.70 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 3ag3 h LEU 36 CO 0.18 0.85 -0.23 0.40 0.09 0.00 0.00 178.44 179.73 3ag3 h ILE 37 N 1.22 0.49 0.00 1.22 2.04 -1.22 -1.45 117.51 119.81 3ag3 h ILE 37 Ca 0.31 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.16 3ag3 h ILE 37 Cb -0.02 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3ag3 h ILE 37 CO -0.06 0.00 -0.04 0.03 0.00 0.00 0.00 178.15 178.08 3ag3 h ARG 38 N -0.46 0.00 -0.23 2.37 2.47 -1.16 -2.09 114.38 115.28 3ag3 h ARG 38 Ca 0.01 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.58 3ag3 h ARG 38 Cb 0.46 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 3ag3 h ARG 38 CO -0.10 0.04 -0.50 0.00 0.56 0.00 0.00 179.97 179.98 3ag3 h ALA 39 N 1.96 0.70 -0.49 0.04 0.00 -0.36 -0.17 119.26 120.93 3ag3 h ALA 39 Ca -0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 3ag3 h ALA 39 Cb 0.84 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3ag3 h ALA 39 CO 0.01 0.68 0.11 1.49 0.00 0.00 0.00 179.25 181.53 3ag3 h GLU 40 N 0.49 0.74 -0.02 0.00 4.57 -0.73 -2.26 114.58 117.38 3ag3 h GLU 40 Ca 0.02 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3ag3 h GLU 40 Cb 1.04 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.52 3ag3 h GLU 40 CO 0.10 0.68 -0.08 1.28 -1.18 0.00 0.00 179.01 179.80 3ag3 n LEU 41 N -4.29 1.78 0.16 1.64 4.77 -0.84 -4.40 117.00 115.82 3ag3 n LEU 41 Ca 0.03 -0.59 0.13 0.00 -0.03 0.00 0.00 56.01 55.56 3ag3 n LEU 41 Cb 0.22 -0.02 0.36 0.00 -2.33 0.00 0.00 43.42 41.65 3ag3 n LEU 41 CO 0.39 0.30 0.87 1.23 -1.33 0.00 0.00 177.39 178.86 3ag3 h GLY 42 N 4.84 0.00 -3.58 -0.72 0.00 -0.39 -3.42 103.07 99.80 3ag3 h GLY 42 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3ag3 h GLY 42 CO 0.00 0.00 -0.40 -0.86 0.00 0.00 0.00 176.54 175.28 3ag3 s GLN 43 N -3.21 0.75 0.53 4.80 -2.07 -1.26 -4.41 119.66 114.78 3ag3 s GLN 43 Ca 0.08 -0.80 -0.22 0.00 -1.82 0.00 0.00 55.36 52.59 3ag3 s GLN 43 Cb 0.09 0.30 -0.05 0.00 -1.09 0.00 0.00 33.01 32.26 3ag3 s GLN 43 CO 0.59 -0.22 1.33 -1.25 -1.32 0.00 0.00 175.29 174.42 3ag3 s PRO 44 N -3.18 3.28 0.00 9.60 0.04 -1.26 -4.80 135.00 138.68 3ag3 s PRO 44 Ca -0.00 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.20 3ag3 s PRO 44 Cb 0.02 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3ag3 s PRO 44 CO -0.07 -1.06 0.00 0.41 0.04 0.00 0.00 177.00 176.32 3ag3 n GLY 45 N 0.67 -1.15 3.68 0.56 0.00 -1.26 -5.02 105.19 102.67 3ag3 n GLY 45 Ca 0.10 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 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 4.29 -0.18 2.61 -1.32 -1.26 -4.72 115.64 115.06 3ag3 s THR 46 Ca 0.00 -0.31 -0.11 0.00 -1.21 0.00 0.00 61.69 60.07 3ag3 s THR 46 Cb 0.00 -2.82 -0.08 0.00 -1.51 0.00 0.00 72.50 68.09 3ag3 s THR 46 CO 0.00 0.57 -0.26 -0.11 -2.21 0.00 0.00 174.62 172.60 3ag3 n LEU 47 N 2.01 1.50 0.17 9.08 7.94 -1.26 -4.62 117.00 131.81 3ag3 n LEU 47 Ca -0.18 0.26 0.12 0.00 -1.11 0.00 0.00 56.01 55.10 3ag3 n LEU 47 Cb 0.53 -0.61 0.28 0.00 0.53 0.00 0.00 43.42 44.15 3ag3 n LEU 47 CO 0.29 0.24 0.84 -0.07 -1.11 0.00 0.00 177.39 177.59 3ag3 h LEU 48 N -0.73 0.00 1.99 -1.96 3.38 -1.95 -3.47 115.31 112.57 3ag3 h LEU 48 Ca -0.40 -0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.16 3ag3 h LEU 48 Cb 1.29 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.96 3ag3 h LEU 48 CO -0.25 0.00 -0.44 0.61 0.09 0.00 0.00 178.44 178.45 3ag3 n GLY 49 N 1.20 0.68 3.15 0.83 0.00 -1.26 -4.94 105.19 104.83 3ag3 n GLY 49 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.36 -1.34 0.33 1.61 -1.08 -1.26 -5.03 116.67 107.54 3ag3 s ASP 50 Ca 0.00 0.07 0.25 0.00 -0.52 0.00 0.00 52.55 52.35 3ag3 s ASP 50 Cb 0.00 1.83 0.57 0.00 -1.46 0.00 0.00 42.92 43.86 3ag3 s ASP 50 CO 0.00 -0.23 1.69 0.44 0.52 0.00 0.00 175.17 177.59 3ag3 h ASP 51 N 7.70 0.00 -0.76 -0.34 3.45 -1.99 -1.85 116.42 122.63 3ag3 h ASP 51 Ca -0.02 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.39 3ag3 h ASP 51 Cb 1.19 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.92 3ag3 h ASP 51 CO 0.09 0.00 0.29 -0.61 -1.57 0.00 0.00 179.24 177.44 3ag3 h GLN 52 N 0.00 1.15 -0.51 3.56 5.75 -1.95 0.14 115.11 123.25 3ag3 h GLN 52 Ca 0.00 -0.22 -0.12 0.00 -0.15 0.00 0.00 58.65 58.16 3ag3 h GLN 52 Cb 0.87 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 3ag3 h GLN 52 CO 0.00 0.95 -0.16 0.82 -2.65 0.00 0.00 178.83 177.79 3ag3 h ILE 53 N 1.11 1.27 -0.77 2.39 2.04 -1.69 -1.05 117.51 120.81 3ag3 h ILE 53 Ca 0.25 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 3ag3 h ILE 53 Cb 0.24 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 3ag3 h ILE 53 CO -0.02 0.46 0.44 0.22 0.00 0.00 0.00 178.15 179.25 3ag3 h TYR 54 N 0.87 1.05 -0.62 1.37 5.03 -1.08 -0.66 116.97 122.93 3ag3 h TYR 54 Ca 0.13 -0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.34 3ag3 h TYR 54 Cb 0.72 -0.34 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 3ag3 h TYR 54 CO 0.05 0.72 0.10 -0.91 -1.32 0.00 0.00 178.16 176.80 3ag3 h ASN 55 N 1.07 0.99 -0.77 -2.11 2.35 -0.53 -0.33 115.58 116.25 3ag3 h ASN 55 Ca 0.27 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3ag3 h ASN 55 Cb 0.01 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.08 3ag3 h ASN 55 CO -0.05 1.00 0.42 0.58 -1.65 0.00 0.00 177.43 177.73 3ag3 h VAL 56 N 0.94 1.23 -0.21 2.81 2.07 -0.70 -1.44 116.25 120.95 3ag3 h VAL 56 Ca 0.19 -0.58 -0.17 0.00 0.82 0.00 0.00 66.70 66.96 3ag3 h VAL 56 Cb 0.43 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3ag3 h VAL 56 CO 0.01 0.26 -0.53 0.58 0.02 0.00 0.00 177.57 177.91 3ag3 h VAL 57 N 1.09 1.30 -0.85 2.57 2.07 -0.41 -0.54 116.25 121.48 3ag3 h VAL 57 Ca 0.27 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 3ag3 h VAL 57 Cb 0.03 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3ag3 h VAL 57 CO -0.04 0.55 0.44 0.58 0.02 0.00 0.00 177.57 179.12 3ag3 h VAL 58 N 0.46 1.25 0.17 2.57 2.07 -0.99 0.10 116.25 121.88 3ag3 h VAL 58 Ca -0.01 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 3ag3 h VAL 58 Cb 1.14 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3ag3 h VAL 58 CO 0.12 0.29 -0.08 0.74 0.02 0.00 0.00 177.57 178.65 3ag3 h THR 59 N 1.19 0.96 -0.95 2.57 2.02 -1.08 -2.86 112.91 114.76 3ag3 h THR 59 Ca 0.30 -0.72 0.06 0.00 0.77 0.00 0.00 66.41 66.81 3ag3 h THR 59 Cb 0.06 1.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.79 3ag3 h THR 59 CO -0.04 0.16 0.60 0.00 0.37 0.00 0.00 175.52 176.61 3ag3 h ALA 60 N 0.15 1.31 -0.70 6.16 0.00 -1.01 -2.31 119.26 122.85 3ag3 h ALA 60 Ca -0.02 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.97 3ag3 h ALA 60 Cb 0.44 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 3ag3 h ALA 60 CO 0.04 0.38 0.33 1.25 0.00 0.00 0.00 179.25 181.25 3ag3 h HIS 61 N 1.10 0.58 -0.10 0.00 6.17 -0.75 -0.08 115.15 122.06 3ag3 h HIS 61 Ca 0.41 0.03 -0.19 0.00 0.71 0.00 0.00 60.37 61.33 3ag3 h HIS 61 Cb 0.16 -0.15 0.01 0.00 2.52 0.00 0.00 27.41 29.95 3ag3 h HIS 61 CO -0.01 0.18 -0.67 0.00 0.71 0.00 0.00 177.93 178.13 3ag3 h ALA 62 N 1.45 0.22 -0.42 5.26 0.00 -1.34 -1.19 119.26 123.23 3ag3 h ALA 62 Ca 0.35 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 3ag3 h ALA 62 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3ag3 h ALA 62 CO -0.30 0.52 -0.28 0.74 0.00 0.00 0.00 179.25 179.94 3ag3 h PHE 63 N 0.29 1.06 0.20 0.00 0.04 -1.07 -1.31 116.94 116.15 3ag3 h PHE 63 Ca -0.06 -0.27 -0.01 0.00 2.80 0.00 0.00 57.97 60.43 3ag3 h PHE 63 Cb 1.32 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 39.23 3ag3 h PHE 63 CO 0.11 1.08 -0.11 0.28 -0.60 0.00 0.00 178.31 179.06 3ag3 h VAL 64 N 0.78 0.76 -0.55 -0.55 2.07 -0.99 -0.34 116.25 117.43 3ag3 h VAL 64 Ca 0.09 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 3ag3 h VAL 64 Cb 0.84 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3ag3 h VAL 64 CO 0.07 0.00 0.19 0.24 0.02 0.00 0.00 177.57 178.09 3ag3 h MET 65 N -0.29 0.81 0.00 1.57 2.86 -1.04 -0.07 114.93 118.77 3ag3 h MET 65 Ca -0.02 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 3ag3 h MET 65 Cb 0.24 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 3ag3 h MET 65 CO 0.03 0.69 -0.07 0.82 1.06 0.00 0.00 176.91 179.44 3ag3 h ILE 66 N 0.80 0.29 0.00 -1.22 2.04 -1.22 -0.40 117.51 117.80 3ag3 h ILE 66 Ca 0.19 -1.23 -0.11 0.00 1.00 0.00 0.00 64.86 64.71 3ag3 h ILE 66 Cb 0.21 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3ag3 h ILE 66 CO -0.01 0.10 -0.96 -0.26 0.00 0.00 0.00 178.15 177.01 3ag3 h PHE 67 N -1.00 0.00 0.00 1.37 0.04 -1.15 -2.68 116.94 113.51 3ag3 h PHE 67 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3ag3 h PHE 67 Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 3ag3 h PHE 67 CO 0.03 0.42 -1.25 1.19 -0.60 0.00 0.00 178.31 178.10 3ag3 n PHE 68 N -2.98 0.00 -0.02 -0.55 3.72 -0.59 -4.35 117.46 112.69 3ag3 n PHE 68 Ca -0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.33 3ag3 n PHE 68 Cb 0.74 -0.19 -0.01 0.00 -0.94 0.00 0.00 39.48 39.08 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 -1.73 0.21 0.12 -1.08 1.56 -0.14 -4.15 117.12 111.92 3ag3 n MET 69 Ca -0.01 0.08 -0.13 0.00 -0.27 0.00 0.00 57.70 57.37 3ag3 n MET 69 Cb 0.26 -0.80 -0.08 0.00 2.15 0.00 0.00 33.22 34.75 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 -0.40 0.80 -0.07 1.12 2.07 -1.12 -2.36 116.25 116.30 3ag3 h VAL 70 Ca 0.00 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 3ag3 h VAL 70 Cb 0.40 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3ag3 h VAL 70 CO 0.00 0.14 0.03 0.24 0.02 0.00 0.00 177.57 178.00 3ag3 h MET 71 N -0.71 0.10 -0.95 1.57 2.86 -1.73 0.14 114.93 116.21 3ag3 h MET 71 Ca -0.03 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.66 3ag3 h MET 71 Cb 0.49 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 3ag3 h MET 71 CO 0.06 0.24 0.62 -1.35 1.06 0.00 0.00 176.91 177.53 3ag3 h PRO 72 N -0.05 1.03 0.14 -0.22 0.11 -1.76 -0.43 132.00 130.82 3ag3 h PRO 72 Ca 0.02 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3ag3 h PRO 72 Cb 0.17 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.05 3ag3 h PRO 72 CO -0.00 0.68 -0.07 0.82 -0.21 0.00 0.00 178.00 179.23 3ag3 h ILE 73 N 1.06 1.00 0.19 4.15 2.04 -1.20 0.49 117.51 125.24 3ag3 h ILE 73 Ca 0.42 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 3ag3 h ILE 73 Cb 0.25 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3ag3 h ILE 73 CO -0.17 0.24 -0.09 0.24 0.00 0.00 0.00 178.15 178.37 3ag3 h MET 74 N -0.75 -0.24 0.01 2.37 2.86 -0.88 0.12 114.93 118.41 3ag3 h MET 74 Ca -0.02 0.02 -0.33 0.00 -2.06 0.00 0.00 59.70 57.31 3ag3 h MET 74 Cb 0.53 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.20 3ag3 h MET 74 CO 0.03 0.15 -1.80 -0.89 1.06 0.00 0.00 176.91 175.46 3ag3 n ILE 75 N -5.00 1.56 -0.23 -1.22 5.41 -0.18 -1.49 119.36 118.21 3ag3 n ILE 75 Ca -0.09 -0.23 -0.07 0.00 1.00 0.00 0.00 62.75 63.36 3ag3 n ILE 75 Cb 0.26 -1.93 0.06 0.00 -0.71 0.00 0.00 39.64 37.31 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 -0.65 1.17 0.00 7.39 0.00 -1.20 -2.40 103.07 107.38 3ag3 h GLY 76 Ca -0.48 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.08 3ag3 h GLY 76 CO -0.25 0.71 0.00 0.61 0.00 0.00 0.00 176.54 177.62 3ag3 n GLY 77 N -0.61 -0.22 0.20 4.60 0.00 0.16 -3.23 105.19 106.10 3ag3 n GLY 77 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.18 0.55 1.61 -1.00 -0.73 -1.74 116.94 115.81 3ag3 h PHE 78 Ca 0.00 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.71 3ag3 h PHE 78 Cb 0.00 -0.04 0.01 0.00 3.61 0.00 0.00 35.95 39.52 3ag3 h PHE 78 CO 0.00 0.49 -0.26 0.78 -1.61 0.00 0.00 178.31 177.71 3ag3 h GLY 79 N 1.11 -0.77 1.12 -1.45 0.00 -0.74 0.94 103.07 103.28 3ag3 h GLY 79 Ca 0.02 0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.57 3ag3 h GLY 79 CO 0.05 -0.28 0.23 3.43 0.00 0.00 0.00 176.54 179.97 3ag3 h ASN 80 N -0.84 1.03 -0.16 0.19 2.35 -1.46 -0.85 115.58 115.85 3ag3 h ASN 80 Ca -0.07 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.46 3ag3 h ASN 80 Cb 0.60 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3ag3 h ASN 80 CO 0.12 0.96 -0.02 -0.50 -1.65 0.00 0.00 177.43 176.34 3ag3 h TRP 81 N 1.07 0.33 0.07 1.19 4.06 -1.18 -3.39 115.95 118.10 3ag3 h TRP 81 Ca 0.23 -0.06 -0.33 0.00 2.06 0.00 0.00 58.89 60.80 3ag3 h TRP 81 Cb 0.29 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.34 3ag3 h TRP 81 CO 0.02 0.54 -1.81 -0.07 -3.56 0.00 0.00 178.44 173.56 3ag3 h LEU 82 N 0.02 0.24 0.04 -4.49 3.38 -0.79 -3.37 115.31 110.34 3ag3 h LEU 82 Ca 0.04 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 3ag3 h LEU 82 Cb 0.42 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ag3 h LEU 82 CO 0.01 1.44 -0.02 0.58 0.09 0.00 0.00 178.44 180.55 3ag3 h VAL 83 N 0.04 1.16 -0.83 1.22 2.07 -1.30 0.15 116.25 118.76 3ag3 h VAL 83 Ca -0.34 -0.63 0.10 0.00 0.82 0.00 0.00 66.70 66.65 3ag3 h VAL 83 Cb 2.02 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 33.31 3ag3 h VAL 83 CO 0.10 0.16 0.54 -0.65 0.02 0.00 0.00 177.57 177.73 3ag3 h PRO 84 N -0.33 0.76 -0.10 1.57 0.11 -1.77 -2.57 132.00 129.67 3ag3 h PRO 84 Ca -0.01 -0.05 -0.19 0.00 0.11 0.00 0.00 66.00 65.87 3ag3 h PRO 84 Cb 0.30 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 3ag3 h PRO 84 CO 0.01 0.50 -0.71 -0.07 -0.21 0.00 0.00 178.00 177.52 3ag3 h LEU 85 N 0.78 0.57 -0.66 2.35 3.38 -1.62 0.76 115.31 120.87 3ag3 h LEU 85 Ca 0.38 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ag3 h LEU 85 Cb 0.44 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ag3 h LEU 85 CO -0.15 1.11 0.00 0.24 0.09 0.00 0.00 178.44 179.72 3ag3 h MET 86 N 0.33 0.00 -0.23 1.13 2.86 -0.31 -2.66 114.93 116.06 3ag3 h MET 86 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3ag3 h MET 86 Cb 1.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.95 3ag3 h MET 86 CO 0.13 0.00 0.00 0.44 1.06 0.00 0.00 176.91 178.54 3ag3 n ILE 87 N -2.43 1.11 -1.11 -1.22 -5.35 -1.07 -4.74 119.36 104.55 3ag3 n ILE 87 Ca 0.03 -1.09 -0.04 0.00 -0.27 0.00 0.00 62.75 61.38 3ag3 n ILE 87 Cb 0.30 0.43 -0.02 0.00 -1.74 0.00 0.00 39.64 38.61 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 0.09 0.66 3.86 3.28 0.00 -0.50 -4.12 105.19 108.46 3ag3 n GLY 88 Ca 0.09 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.06 3.45 -0.72 4.61 0.00 0.14 -4.64 121.76 122.54 3ag3 s ALA 89 Ca 0.00 -0.09 0.26 0.00 0.00 0.00 0.00 51.96 52.13 3ag3 s ALA 89 Cb 0.00 -2.61 0.85 0.00 0.00 0.00 0.00 23.12 21.36 3ag3 s ALA 89 CO 0.00 0.42 1.78 -0.35 0.00 0.00 0.00 175.76 177.60 3ag3 n PRO 90 N -0.08 0.24 -0.38 0.00 -0.04 -1.26 -4.53 135.00 128.95 3ag3 n PRO 90 Ca 0.01 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3ag3 n PRO 90 Cb 0.53 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 -2.22 0.00 -4.91 3.54 -0.08 -1.26 -4.63 116.55 106.99 3ag3 n ASP 91 Ca 0.05 -0.21 -0.28 0.00 -1.51 0.00 0.00 54.79 52.84 3ag3 n ASP 91 Cb 0.40 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.93 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 0.36 2.42 0.21 -0.67 -1.94 -1.26 -4.85 119.30 113.58 3ag3 s MET 92 Ca 0.00 0.07 -0.08 0.00 -1.71 0.00 0.00 55.69 53.97 3ag3 s MET 92 Cb 0.00 -2.09 0.16 0.00 2.01 0.00 0.00 34.83 34.91 3ag3 s MET 92 CO 0.00 -1.20 1.79 0.00 -0.01 0.00 0.00 175.02 175.60 3ag3 h ALA 93 N -0.67 1.04 -2.72 3.03 0.00 -1.92 -3.33 119.26 114.68 3ag3 h ALA 93 Ca -0.45 -0.18 -0.61 0.00 0.00 0.00 0.00 54.91 53.67 3ag3 h ALA 93 Cb 1.29 -0.32 -0.41 0.00 0.00 0.00 0.00 17.79 18.36 3ag3 h ALA 93 CO 0.63 0.64 -0.66 1.19 0.00 0.00 0.00 179.25 181.05 3ag3 n PHE 94 N -4.31 2.55 0.24 0.00 3.72 -1.26 -4.96 117.46 113.45 3ag3 n PHE 94 Ca 0.07 -4.09 0.11 0.00 -0.05 0.00 0.00 57.45 53.49 3ag3 n PHE 94 Cb 0.17 -0.47 0.62 0.00 -0.94 0.00 0.00 39.48 38.85 3ag3 n PHE 94 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3ag3 h PRO 95 N 5.07 0.00 0.11 -1.08 0.11 -1.88 -0.17 132.00 134.16 3ag3 h PRO 95 Ca 0.17 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.95 3ag3 h PRO 95 Cb 0.76 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 3ag3 h PRO 95 CO 0.68 0.18 -1.80 -0.09 -0.21 0.00 0.00 178.00 176.75 3ag3 h ARG 96 N 0.00 0.24 -0.95 1.05 2.43 -1.86 -3.24 114.38 112.04 3ag3 h ARG 96 Ca -0.00 -0.41 0.15 0.00 -0.81 0.00 0.00 59.98 58.91 3ag3 h ARG 96 Cb 0.48 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.10 3ag3 h ARG 96 CO 0.02 1.19 0.60 1.98 -1.51 0.00 0.00 179.97 182.26 3ag3 h MET 97 N -0.13 0.76 -0.83 0.20 4.05 -1.87 -0.40 114.93 116.71 3ag3 h MET 97 Ca -0.39 -0.05 0.14 0.00 -0.28 0.00 0.00 59.70 59.12 3ag3 h MET 97 Cb 1.90 -0.17 -0.06 0.00 -0.80 0.00 0.00 31.60 32.47 3ag3 h MET 97 CO 0.05 0.50 0.54 -0.97 0.23 0.00 0.00 176.91 177.26 3ag3 h ASN 98 N 0.78 0.56 0.49 1.39 -1.24 -1.10 -1.23 115.58 115.23 3ag3 h ASN 98 Ca 0.49 0.03 -0.16 0.00 0.71 0.00 0.00 56.30 57.37 3ag3 h ASN 98 Cb 0.71 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 3ag3 h ASN 98 CO -0.26 0.30 -0.70 -1.13 -1.29 0.00 0.00 177.43 174.35 3ag3 h ASN 99 N 0.60 0.22 0.20 1.15 -1.24 -1.09 -2.33 115.58 113.09 3ag3 h ASN 99 Ca 0.41 -0.14 -0.10 0.00 0.71 0.00 0.00 56.30 57.18 3ag3 h ASN 99 Cb 0.72 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.70 3ag3 h ASN 99 CO -0.17 0.85 -0.37 -0.03 -1.29 0.00 0.00 177.43 176.42 3ag3 h MET 100 N 0.12 0.24 -0.15 6.67 4.05 -1.10 -1.12 114.93 123.64 3ag3 h MET 100 Ca -0.02 -0.10 -0.09 0.00 -0.28 0.00 0.00 59.70 59.21 3ag3 h MET 100 Cb 1.25 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.03 3ag3 h MET 100 CO 0.10 0.58 -0.31 0.77 0.23 0.00 0.00 176.91 178.29 3ag3 h SER 101 N 0.21 0.30 -0.01 1.39 0.02 -0.87 -1.23 113.55 113.36 3ag3 h SER 101 Ca 0.02 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3ag3 h SER 101 Cb 0.76 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 3ag3 h SER 101 CO 0.06 0.60 -0.01 0.15 -1.14 0.00 0.00 176.83 176.49 3ag3 h PHE 102 N 0.26 0.03 0.00 3.45 3.57 -1.14 -3.28 116.94 119.83 3ag3 h PHE 102 Ca 0.04 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3ag3 h PHE 102 Cb 0.68 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.42 3ag3 h PHE 102 CO 0.01 0.57 0.00 -1.49 -2.23 0.00 0.00 178.31 175.17 3ag3 h TRP 103 N -0.52 0.00 0.00 0.41 4.06 -0.84 0.37 115.95 119.43 3ag3 h TRP 103 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3ag3 h TRP 103 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 3ag3 h TRP 103 CO 0.12 0.00 0.00 -0.07 -3.56 0.00 0.00 178.44 174.93 3ag3 h LEU 104 N 0.00 0.00 -0.24 -4.49 3.38 -1.29 -3.35 115.31 109.32 3ag3 h LEU 104 Ca 0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 3ag3 h LEU 104 Cb 0.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3ag3 h LEU 104 CO 0.00 0.00 -0.67 -0.07 0.09 0.00 0.00 178.44 177.79 3ag3 h LEU 105 N 0.00 0.95 -0.49 1.67 3.38 -1.05 -1.96 115.31 117.82 3ag3 h LEU 105 Ca 0.00 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 3ag3 h LEU 105 Cb 0.37 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3ag3 h LEU 105 CO 0.00 1.37 0.19 -0.65 0.09 0.00 0.00 178.44 179.44 3ag3 h PRO 106 N 0.60 0.73 -0.73 1.13 0.11 -1.73 0.18 132.00 132.29 3ag3 h PRO 106 Ca -0.02 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 65.95 3ag3 h PRO 106 Cb 1.29 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3ag3 h PRO 106 CO 0.14 0.66 0.45 -1.35 -0.21 0.00 0.00 178.00 177.69 3ag3 h PRO 107 N 0.65 0.98 -0.39 1.05 0.11 -1.73 0.85 132.00 133.52 3ag3 h PRO 107 Ca 0.16 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 66.12 3ag3 h PRO 107 Cb 0.20 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3ag3 h PRO 107 CO -0.01 0.68 -0.04 1.03 -0.21 0.00 0.00 178.00 179.44 3ag3 h SER 108 N 1.00 0.72 -0.52 -2.05 0.87 -0.50 -0.55 113.55 112.52 3ag3 h SER 108 Ca 0.27 -0.33 -0.09 0.00 -1.23 0.00 0.00 61.79 60.40 3ag3 h SER 108 Cb -0.06 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 3ag3 h SER 108 CO -0.05 0.88 -0.02 0.15 -0.53 0.00 0.00 176.83 177.25 3ag3 h PHE 109 N 0.54 1.05 -0.85 2.24 -0.00 -0.36 -1.87 116.94 117.69 3ag3 h PHE 109 Ca 0.11 -0.18 0.00 0.00 -0.00 0.00 0.00 57.97 57.90 3ag3 h PHE 109 Cb 0.54 -0.28 -0.04 0.00 -0.00 0.00 0.00 35.95 36.17 3ag3 h PHE 109 CO 0.04 0.95 0.55 1.25 -0.00 0.00 0.00 178.31 181.10 3ag3 h LEU 110 N 0.88 0.99 -0.92 0.59 5.85 -0.33 -0.16 115.31 122.21 3ag3 h LEU 110 Ca 0.16 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3ag3 h LEU 110 Cb 0.55 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3ag3 h LEU 110 CO 0.03 0.74 0.58 -0.07 -0.34 0.00 0.00 178.44 179.38 3ag3 h LEU 111 N 1.16 1.08 -0.72 2.25 3.38 -0.76 0.19 115.31 121.88 3ag3 h LEU 111 Ca 0.31 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 3ag3 h LEU 111 Cb -0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.36 3ag3 h LEU 111 CO -0.06 0.81 -0.31 0.25 0.09 0.00 0.00 178.44 179.22 3ag3 h LEU 112 N 1.25 0.66 -0.78 1.67 5.85 -0.52 -0.37 115.31 123.08 3ag3 h LEU 112 Ca 0.33 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 3ag3 h LEU 112 Cb -0.09 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 3ag3 h LEU 112 CO -0.07 0.92 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.46 3ag3 h LEU 113 N 0.54 0.42 -0.25 2.25 3.38 -0.64 -2.62 115.31 118.39 3ag3 h LEU 113 Ca 0.06 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3ag3 h LEU 113 Cb 0.80 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3ag3 h LEU 113 CO 0.07 0.80 0.14 0.00 0.09 0.00 0.00 178.44 179.54 3ag3 h ALA 114 N 1.22 0.33 -0.97 1.53 0.00 -0.40 -1.54 119.26 119.42 3ag3 h ALA 114 Ca 0.03 -0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.09 3ag3 h ALA 114 Cb 0.89 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 3ag3 h ALA 114 CO 0.07 -0.15 0.62 0.66 0.00 0.00 0.00 179.25 180.46 3ag3 h SER 115 N 0.30 0.55 1.14 0.00 4.64 -0.70 -1.51 113.55 117.98 3ag3 h SER 115 Ca 0.09 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3ag3 h SER 115 Cb 0.05 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3ag3 h SER 115 CO -0.02 0.19 -0.30 -1.54 -0.87 0.00 0.00 176.83 174.29 3ag3 n SER 116 N -4.62 0.71 -0.06 4.97 3.41 -0.63 -3.79 113.62 113.61 3ag3 n SER 116 Ca 0.22 0.33 -0.11 0.00 -0.26 0.00 0.00 58.87 59.05 3ag3 n SER 116 Cb 0.69 -0.31 -0.15 0.00 -0.26 0.00 0.00 64.21 64.19 3ag3 n SER 116 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3ag3 n MET 117 N -2.13 0.67 -3.24 4.33 2.81 -0.78 -4.43 117.12 114.35 3ag3 n MET 117 Ca 0.05 0.16 -0.33 0.00 -1.81 0.00 0.00 57.70 55.77 3ag3 n MET 117 Cb 0.43 -1.65 -0.06 0.00 -0.71 0.00 0.00 33.22 31.22 3ag3 n MET 117 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3ag3 s VAL 118 N -2.54 4.76 0.00 2.03 -7.23 -0.64 -4.91 120.40 111.86 3ag3 s VAL 118 Ca -0.12 0.85 0.00 0.00 -1.81 0.00 0.00 61.98 60.90 3ag3 s VAL 118 Cb 0.07 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.35 3ag3 s VAL 118 CO 0.80 -0.05 0.00 -0.62 -0.31 0.00 0.00 175.10 174.92 3ag3 n GLU 119 N -0.02 0.00 -0.09 4.82 -0.58 -1.26 -2.16 120.64 121.35 3ag3 n GLU 119 Ca 0.01 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.84 3ag3 n GLU 119 Cb 0.52 0.00 0.14 0.00 -0.57 0.00 0.00 31.44 31.53 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 9.65 2.25 0.00 0.62 0.00 -1.26 -5.10 120.51 126.67 3ag3 n ALA 120 Ca 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 53.44 50.87 3ag3 n ALA 120 Cb 0.00 -0.38 0.00 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 -1.39 -1.37 3.22 0.00 0.00 -0.92 -4.67 105.19 100.06 3ag3 n GLY 121 Ca 0.15 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.51 3.51 -1.05 4.61 0.00 -1.26 -4.78 121.76 121.29 3ag3 s ALA 122 Ca 0.00 -2.69 -0.03 0.00 0.00 0.00 0.00 51.96 49.25 3ag3 s ALA 122 Cb 0.00 -2.94 0.31 0.00 0.00 0.00 0.00 23.12 20.50 3ag3 s ALA 122 CO 0.00 -1.98 1.58 0.41 0.00 0.00 0.00 175.76 175.77 3ag3 n GLY 123 N 4.72 5.51 0.00 0.00 0.00 -1.26 -4.31 105.19 109.85 3ag3 n GLY 123 Ca -0.05 -2.64 0.04 0.00 0.00 0.00 0.00 46.02 43.37 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 0.81 0.00 0.00 2.61 -2.24 -1.26 -4.78 114.28 109.43 3ag3 n THR 124 Ca 0.33 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3ag3 n THR 124 Cb 0.31 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 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 1.46 -0.64 0.00 3.38 0.00 -1.26 -3.99 105.19 104.14 3ag3 n GLY 125 Ca 0.01 -1.56 0.11 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.17 0.00 0.39 1.61 4.27 -1.26 -1.64 117.44 120.64 3ag3 n TRP 126 Ca 0.00 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.74 3ag3 n TRP 126 Cb 0.00 -0.39 0.32 0.00 -1.36 0.00 0.00 31.31 29.88 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 -6.27 -1.67 1.35 -1.97 -3.48 112.91 100.87 3ag3 h THR 127 Ca 0.00 -0.72 -0.47 0.00 -0.55 0.00 0.00 66.41 64.67 3ag3 h THR 127 Cb 0.29 1.70 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 3ag3 h THR 127 CO 0.00 0.00 -0.76 0.52 -0.25 0.00 0.00 175.52 175.03 3ag3 n VAL 128 N -2.73 -2.24 -2.11 6.82 0.31 -0.65 -4.90 118.33 112.82 3ag3 n VAL 128 Ca 0.04 -0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 3ag3 n VAL 128 Cb 0.46 -2.96 -0.03 0.00 -0.91 0.00 0.00 33.84 30.40 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 -3.33 3.14 0.60 3.52 4.12 -1.26 -4.66 117.35 119.49 3ag3 s TYR 129 Ca 0.62 1.09 -0.14 0.00 0.02 0.00 0.00 57.07 58.66 3ag3 s TYR 129 Cb -0.31 -3.72 -0.04 0.00 -1.52 0.00 0.00 41.96 36.38 3ag3 s TYR 129 CO 0.82 -2.33 1.03 -1.25 0.02 0.00 0.00 175.55 173.85 3ag3 s PRO 130 N -0.09 3.45 0.00 -1.71 0.04 -1.26 -1.15 135.00 134.28 3ag3 s PRO 130 Ca 0.59 0.97 0.30 0.00 0.04 0.00 0.00 61.00 62.90 3ag3 s PRO 130 Cb -0.39 -2.06 1.42 0.00 0.04 0.00 0.00 34.50 33.51 3ag3 s PRO 130 CO 0.39 -0.69 1.99 -2.30 0.04 0.00 0.00 177.00 176.44 3ag3 n PRO 131 N -2.35 0.53 -0.06 0.56 -0.02 -1.26 -4.81 135.00 127.58 3ag3 n PRO 131 Ca 0.07 -0.08 0.03 0.00 -2.02 0.00 0.00 63.50 61.51 3ag3 n PRO 131 Cb 0.54 -1.50 0.38 0.00 -0.02 0.00 0.00 33.50 32.89 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 0.19 0.58 -1.02 2.45 5.85 -1.91 0.52 115.31 121.97 3ag3 h LEU 132 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ag3 h LEU 132 Cb 0.30 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3ag3 h LEU 132 CO 0.00 0.42 0.00 0.00 -0.34 0.00 0.00 178.44 178.52 3ag3 n ALA 133 N -2.46 2.49 -2.06 1.25 0.00 -0.30 -3.16 120.51 116.27 3ag3 n ALA 133 Ca 0.05 -0.49 -0.16 0.00 0.00 0.00 0.00 53.44 52.83 3ag3 n ALA 133 Cb 0.06 -1.04 0.12 0.00 0.00 0.00 0.00 19.45 18.59 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 1.02 -0.44 0.12 0.00 0.00 0.18 -4.72 105.19 101.34 3ag3 n GLY 134 Ca 0.13 -1.84 0.15 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.30 0.39 -0.13 1.61 0.23 -1.26 -1.07 115.26 111.72 3ag3 n ASN 135 Ca 0.12 -0.99 -0.24 0.00 -0.53 0.00 0.00 54.58 52.95 3ag3 n ASN 135 Cb 0.42 -0.03 -0.10 0.00 -2.08 0.00 0.00 39.78 37.99 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 -0.76 2.35 0.18 -4.53 7.94 -1.26 -3.56 117.00 117.35 3ag3 n LEU 136 Ca 0.21 0.12 0.11 0.00 -1.11 0.00 0.00 56.01 55.35 3ag3 n LEU 136 Cb 0.20 -0.82 0.11 0.00 0.53 0.00 0.00 43.42 43.44 3ag3 n LEU 136 CO 0.19 0.71 0.53 0.00 -1.11 0.00 0.00 177.39 177.71 3ag3 h ALA 137 N -0.54 0.82 -2.12 1.96 0.00 -1.75 -3.33 119.26 114.31 3ag3 h ALA 137 Ca -0.62 -0.03 -0.54 0.00 0.00 0.00 0.00 54.91 53.72 3ag3 h ALA 137 Cb 1.70 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 19.09 3ag3 h ALA 137 CO -0.27 0.04 -0.92 0.72 0.00 0.00 0.00 179.25 178.81 3ag3 n HIS 138 N -2.97 1.79 -2.00 0.00 8.25 -0.24 -4.93 115.22 115.12 3ag3 n HIS 138 Ca 0.02 -3.88 -0.37 0.00 -0.26 0.00 0.00 57.72 53.23 3ag3 n HIS 138 Cb 0.55 -0.45 0.02 0.00 1.12 0.00 0.00 29.99 31.23 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 -2.55 2.83 0.00 -1.41 0.00 -1.23 -4.53 121.76 114.87 3ag3 s ALA 139 Ca 0.42 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3ag3 s ALA 139 Cb 0.27 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3ag3 s ALA 139 CO -0.09 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.01 3ag3 n GLY 140 N 0.59 0.90 0.13 0.00 0.00 -1.26 -4.76 105.19 100.79 3ag3 n GLY 140 Ca 0.10 -2.17 0.13 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.04 4.61 0.00 -1.94 -3.39 119.26 119.51 3ag3 h ALA 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ag3 h ALA 141 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ag3 h ALA 141 CO 0.00 0.00 0.02 0.77 0.00 0.00 0.00 179.25 180.04 3ag3 h SER 142 N 0.00 0.04 -0.00 0.00 0.02 -1.85 -1.04 113.55 110.72 3ag3 h SER 142 Ca 0.00 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 3ag3 h SER 142 Cb 0.58 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3ag3 h SER 142 CO 0.00 0.05 -0.13 0.58 -1.14 0.00 0.00 176.83 176.19 3ag3 h VAL 143 N 0.03 1.19 -0.44 2.27 2.07 -1.85 -1.41 116.25 118.11 3ag3 h VAL 143 Ca 0.01 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.61 3ag3 h VAL 143 Cb 0.01 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3ag3 h VAL 143 CO -0.00 0.26 -0.15 0.44 0.02 0.00 0.00 177.57 178.14 3ag3 h ASP 144 N 0.26 0.81 -0.18 0.57 3.45 -1.62 0.02 116.42 119.73 3ag3 h ASP 144 Ca 0.05 -0.26 -0.09 0.00 0.43 0.00 0.00 57.03 57.16 3ag3 h ASP 144 Cb 0.39 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.93 3ag3 h ASP 144 CO 0.02 0.96 -0.18 -0.07 -1.57 0.00 0.00 179.24 178.40 3ag3 h LEU 145 N 0.73 0.60 -0.27 1.55 3.38 -0.73 -0.23 115.31 120.34 3ag3 h LEU 145 Ca 0.11 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3ag3 h LEU 145 Cb 0.65 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3ag3 h LEU 145 CO 0.05 0.79 -0.12 0.74 0.09 0.00 0.00 178.44 179.99 3ag3 h THR 146 N 0.54 1.30 -0.19 0.22 2.02 -0.72 0.14 112.91 116.21 3ag3 h THR 146 Ca 0.09 -1.20 0.04 0.00 0.77 0.00 0.00 66.41 66.11 3ag3 h THR 146 Cb 0.62 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 3ag3 h THR 146 CO 0.04 0.38 -0.07 0.40 0.37 0.00 0.00 175.52 176.64 3ag3 h ILE 147 N 0.29 0.75 -0.40 3.11 2.04 -0.75 -1.21 117.51 121.34 3ag3 h ILE 147 Ca 0.06 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 3ag3 h ILE 147 Cb 0.63 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3ag3 h ILE 147 CO 0.04 0.00 0.05 -0.26 0.00 0.00 0.00 178.15 177.98 3ag3 h PHE 148 N -0.04 0.63 -0.69 1.37 0.04 -0.84 -0.34 116.94 117.08 3ag3 h PHE 148 Ca 0.10 -0.06 0.05 0.00 2.80 0.00 0.00 57.97 60.87 3ag3 h PHE 148 Cb 0.19 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 3ag3 h PHE 148 CO -0.23 0.58 0.40 1.03 -0.60 0.00 0.00 178.31 179.48 3ag3 h SER 149 N 0.59 0.61 0.21 2.17 0.87 -0.55 -1.74 113.55 115.72 3ag3 h SER 149 Ca 0.13 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.58 3ag3 h SER 149 Cb 0.30 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3ag3 h SER 149 CO 0.00 0.40 -0.49 -0.07 -0.53 0.00 0.00 176.83 176.15 3ag3 h LEU 150 N 0.74 0.34 -0.80 2.23 3.38 -0.39 -1.16 115.31 119.66 3ag3 h LEU 150 Ca 0.30 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3ag3 h LEU 150 Cb 0.15 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3ag3 h LEU 150 CO -0.17 0.78 0.43 0.45 0.09 0.00 0.00 178.44 180.03 3ag3 h HIS 151 N 0.26 1.10 -0.04 1.13 3.86 -0.63 0.26 115.15 121.08 3ag3 h HIS 151 Ca 0.01 -0.03 -0.24 0.00 -1.16 0.00 0.00 60.37 58.95 3ag3 h HIS 151 Cb 0.95 -0.35 0.01 0.00 1.06 0.00 0.00 27.41 29.08 3ag3 h HIS 151 CO 0.02 0.77 -0.93 -0.07 0.86 0.00 0.00 177.93 178.59 3ag3 h LEU 152 N 1.11 0.80 -0.81 2.43 3.38 -1.03 -0.93 115.31 120.26 3ag3 h LEU 152 Ca 0.28 -0.60 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 3ag3 h LEU 152 Cb 0.04 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 3ag3 h LEU 152 CO -0.04 1.40 0.34 0.00 0.09 0.00 0.00 178.44 180.22 3ag3 h ALA 153 N 0.56 1.05 0.11 1.53 0.00 -0.99 -1.53 119.26 120.00 3ag3 h ALA 153 Ca -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3ag3 h ALA 153 Cb 1.57 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ag3 h ALA 153 CO 0.18 0.67 -0.05 0.78 0.00 0.00 0.00 179.25 180.82 3ag3 h GLY 154 N 1.18 -0.16 1.28 0.00 0.00 -0.25 -1.48 103.07 103.65 3ag3 h GLY 154 Ca 0.27 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.62 3ag3 h GLY 154 CO -0.02 -0.06 0.21 -2.08 0.00 0.00 0.00 176.54 174.58 3ag3 h VAL 155 N -0.16 1.23 -0.46 4.60 2.07 -1.02 -0.01 116.25 122.49 3ag3 h VAL 155 Ca -0.02 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 66.80 3ag3 h VAL 155 Cb 0.13 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 3ag3 h VAL 155 CO 0.03 0.30 0.20 -1.28 0.02 0.00 0.00 177.57 176.83 3ag3 h SER 156 N 0.89 0.25 0.54 0.57 0.87 -1.13 -1.40 113.55 114.14 3ag3 h SER 156 Ca 0.20 0.04 -0.22 0.00 -1.23 0.00 0.00 61.79 60.58 3ag3 h SER 156 Cb 0.23 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3ag3 h SER 156 CO -0.01 0.18 -0.98 0.28 -0.53 0.00 0.00 176.83 175.76 3ag3 h SER 157 N 0.39 0.37 -0.19 6.23 0.02 -0.85 0.10 113.55 119.62 3ag3 h SER 157 Ca 0.21 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 3ag3 h SER 157 Cb 0.17 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 3ag3 h SER 157 CO -0.18 1.15 0.02 0.40 -1.14 0.00 0.00 176.83 177.07 3ag3 h ILE 158 N 0.13 1.24 -0.87 3.27 2.04 -0.85 0.19 117.51 122.66 3ag3 h ILE 158 Ca -0.07 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 3ag3 h ILE 158 Cb 1.64 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 39.07 3ag3 h ILE 158 CO 0.16 0.24 0.51 -0.07 0.00 0.00 0.00 178.15 178.99 3ag3 h LEU 159 N 0.10 1.05 -0.52 1.44 3.38 -1.25 -1.43 115.31 118.08 3ag3 h LEU 159 Ca 0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ag3 h LEU 159 Cb 0.35 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3ag3 h LEU 159 CO 0.01 0.82 0.31 1.23 0.09 0.00 0.00 178.44 180.90 3ag3 h GLY 160 N 1.21 0.75 1.01 0.83 0.00 -0.75 -0.73 103.07 105.40 3ag3 h GLY 160 Ca 0.31 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 3ag3 h GLY 160 CO -0.06 0.30 0.23 0.00 0.00 0.00 0.00 176.54 177.02 3ag3 h ALA 161 N 1.15 0.84 -0.44 3.60 0.00 -0.30 0.53 119.26 124.64 3ag3 h ALA 161 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ag3 h ALA 161 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3ag3 h ALA 161 CO -0.03 0.48 0.27 0.82 0.00 0.00 0.00 179.25 180.79 3ag3 h ILE 162 N 0.91 1.13 -0.41 0.00 2.04 -0.91 0.14 117.51 120.41 3ag3 h ILE 162 Ca 0.21 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3ag3 h ILE 162 Cb 0.24 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3ag3 h ILE 162 CO -0.01 0.13 0.20 -1.13 0.00 0.00 0.00 178.15 177.33 3ag3 h ASN 163 N 0.59 0.54 -0.21 1.72 -0.73 -0.57 -1.71 115.58 115.21 3ag3 h ASN 163 Ca 0.16 -0.13 -0.03 0.00 1.87 0.00 0.00 56.30 58.17 3ag3 h ASN 163 Cb -0.03 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.42 3ag3 h ASN 163 CO -0.03 0.51 0.01 -0.26 -0.37 0.00 0.00 177.43 177.29 3ag3 h PHE 164 N 0.52 0.39 -0.49 0.67 -1.00 -0.65 -0.51 116.94 115.87 3ag3 h PHE 164 Ca 0.14 -0.06 0.07 0.00 2.81 0.00 0.00 57.97 60.92 3ag3 h PHE 164 Cb 0.12 -0.10 -0.06 0.00 3.61 0.00 0.00 35.95 39.52 3ag3 h PHE 164 CO -0.01 0.53 0.17 0.82 -1.61 0.00 0.00 178.31 178.22 3ag3 h ILE 165 N 0.13 0.83 -0.64 -0.55 2.04 -0.98 -1.00 117.51 117.36 3ag3 h ILE 165 Ca 0.06 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 3ag3 h ILE 165 Cb 0.37 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3ag3 h ILE 165 CO 0.01 0.06 0.11 0.74 0.00 0.00 0.00 178.15 179.07 3ag3 h THR 166 N 0.35 1.26 -0.36 -0.27 2.02 -1.19 -1.11 112.91 113.61 3ag3 h THR 166 Ca 0.23 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 3ag3 h THR 166 Cb 0.25 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3ag3 h THR 166 CO -0.24 0.38 0.17 0.74 0.37 0.00 0.00 175.52 176.93 3ag3 h THR 167 N 0.96 1.17 -0.32 3.16 2.02 -0.92 0.33 112.91 119.31 3ag3 h THR 167 Ca 0.19 -0.49 -0.17 0.00 0.77 0.00 0.00 66.41 66.71 3ag3 h THR 167 Cb 0.43 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3ag3 h THR 167 CO 0.01 0.18 -0.46 0.40 0.37 0.00 0.00 175.52 176.02 3ag3 h ILE 168 N 0.44 1.28 0.03 3.11 2.04 -1.02 -0.67 117.51 122.72 3ag3 h ILE 168 Ca 0.12 -1.65 -0.24 0.00 1.00 0.00 0.00 64.86 64.09 3ag3 h ILE 168 Cb 0.13 1.52 0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3ag3 h ILE 168 CO -0.01 0.54 -1.03 0.40 0.00 0.00 0.00 178.15 178.05 3ag3 h ILE 169 N 0.67 1.40 0.00 -0.67 1.08 -1.09 -3.39 117.51 115.51 3ag3 h ILE 169 Ca 0.04 -2.53 0.00 0.00 -0.39 0.00 0.00 64.86 61.98 3ag3 h ILE 169 Cb 1.05 2.53 0.00 0.00 -3.07 0.00 0.00 36.82 37.33 3ag3 h ILE 169 CO 0.10 0.76 -1.63 -3.20 -0.69 0.00 0.00 178.15 173.49 3ag3 n ASN 170 N -3.72 0.71 -0.46 1.72 5.15 0.11 -4.67 115.26 114.10 3ag3 n ASN 170 Ca -0.08 -0.22 0.08 0.00 -0.60 0.00 0.00 54.58 53.76 3ag3 n ASN 170 Cb 0.88 1.66 0.19 0.00 -0.53 0.00 0.00 39.78 41.98 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 -1.99 1.86 -2.37 1.20 2.81 -0.27 -5.01 117.12 113.36 3ag3 n MET 171 Ca -0.02 -2.78 -0.28 0.00 -1.81 0.00 0.00 57.70 52.81 3ag3 n MET 171 Cb 0.44 -1.64 0.02 0.00 -0.71 0.00 0.00 33.22 31.33 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 -2.93 3.23 0.53 0.03 1.02 -1.26 -4.41 119.74 115.95 3ag3 s LYS 172 Ca 0.37 0.21 -0.22 0.00 0.02 0.00 0.00 55.97 56.35 3ag3 s LYS 172 Cb 0.32 -2.26 -0.05 0.00 -0.52 0.00 0.00 37.83 35.31 3ag3 s LYS 172 CO 0.04 -0.53 1.34 -2.30 -0.92 0.00 0.00 175.35 172.97 3ag3 n PRO 173 N -2.53 1.70 0.31 -1.68 -0.02 -1.26 -4.85 135.00 126.67 3ag3 n PRO 173 Ca 0.03 0.62 0.17 0.00 -2.02 0.00 0.00 63.50 62.31 3ag3 n PRO 173 Cb 0.56 -2.55 1.00 0.00 -0.02 0.00 0.00 33.50 32.49 3ag3 n PRO 173 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ag3 h PRO 174 N 1.48 0.00 -0.00 0.52 0.11 -1.96 0.21 132.00 132.37 3ag3 h PRO 174 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3ag3 h PRO 174 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3ag3 h PRO 174 CO 0.57 0.00 -0.34 0.00 -0.21 0.00 0.00 178.00 178.02 3ag3 n ALA 175 N -2.26 3.18 -2.58 -0.75 0.00 -1.26 -4.80 120.51 112.04 3ag3 n ALA 175 Ca -0.03 -0.29 -0.40 0.00 0.00 0.00 0.00 53.44 52.72 3ag3 n ALA 175 Cb 0.08 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.23 3ag3 n ALA 175 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3ag3 s MET 176 N -2.94 3.83 0.98 0.00 0.00 0.74 -4.97 119.30 116.95 3ag3 s MET 176 Ca 0.13 -0.01 -0.15 0.00 0.00 0.00 0.00 55.69 55.66 3ag3 s MET 176 Cb 0.18 -3.73 0.19 0.00 0.00 0.00 0.00 34.83 31.47 3ag3 s MET 176 CO 0.64 -0.46 1.23 -1.54 0.00 0.00 0.00 175.02 174.89 3ag3 s SER 177 N 1.67 2.94 0.59 1.11 1.04 -1.26 -4.72 113.70 115.07 3ag3 s SER 177 Ca 0.18 0.52 0.37 0.00 0.48 0.00 0.00 55.95 57.49 3ag3 s SER 177 Cb -0.16 -0.74 1.75 0.00 0.10 0.00 0.00 66.02 66.98 3ag3 s SER 177 CO 0.11 -2.86 2.13 -0.61 0.98 0.00 0.00 173.24 172.99 3ag3 h GLN 178 N -1.72 0.00 -0.58 4.02 5.75 -1.96 -0.88 115.11 119.72 3ag3 h GLN 178 Ca -0.46 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 3ag3 h GLN 178 Cb 1.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.82 3ag3 h GLN 178 CO 0.45 0.02 0.00 0.66 -2.65 0.00 0.00 178.83 177.31 3ag3 n TYR 179 N -3.15 0.95 -0.48 3.99 4.01 -1.26 -2.75 117.16 118.48 3ag3 n TYR 179 Ca -0.01 -0.39 0.05 0.00 -0.16 0.00 0.00 57.90 57.39 3ag3 n TYR 179 Cb 0.22 -0.14 0.10 0.00 -0.31 0.00 0.00 39.34 39.20 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 0.76 2.45 -3.82 -0.72 3.00 -0.34 -5.05 117.38 113.67 3ag3 n GLN 180 Ca 0.18 -2.09 -0.33 0.00 -0.01 0.00 0.00 57.00 54.75 3ag3 n GLN 180 Cb 0.60 -1.30 -0.05 0.00 0.00 0.00 0.00 30.24 29.49 3ag3 n GLN 180 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 3ag3 s THR 181 N -1.80 5.33 0.86 5.09 -4.23 -1.11 -4.90 115.64 114.87 3ag3 s THR 181 Ca 0.19 -0.07 -0.10 0.00 -1.18 0.00 0.00 61.69 60.53 3ag3 s THR 181 Cb 0.15 -3.59 0.11 0.00 1.34 0.00 0.00 72.50 70.51 3ag3 s THR 181 CO 0.05 0.24 1.12 -2.84 -0.54 0.00 0.00 174.62 172.65 3ag3 s PRO 182 N -2.16 1.53 0.42 3.99 0.02 -1.26 -4.81 135.00 132.73 3ag3 s PRO 182 Ca 0.32 1.38 0.12 0.00 0.02 0.00 0.00 61.00 62.84 3ag3 s PRO 182 Cb -0.13 -1.80 0.92 0.00 0.02 0.00 0.00 34.50 33.51 3ag3 s PRO 182 CO 0.21 -2.22 1.97 -0.07 -0.33 0.00 0.00 177.00 176.56 3ag3 h LEU 183 N -1.56 0.12 -1.08 -5.54 3.38 -1.98 -0.75 115.31 107.91 3ag3 h LEU 183 Ca -0.43 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 3ag3 h LEU 183 Cb 1.25 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 3ag3 h LEU 183 CO 0.46 0.27 0.22 0.15 0.09 0.00 0.00 178.44 179.62 3ag3 h PHE 184 N 0.13 0.88 -0.24 1.13 3.57 -1.91 -0.54 116.94 119.96 3ag3 h PHE 184 Ca 0.03 -0.06 -0.19 0.00 3.53 0.00 0.00 57.97 61.29 3ag3 h PHE 184 Cb 0.30 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 3ag3 h PHE 184 CO 0.00 0.69 -0.59 0.28 -2.23 0.00 0.00 178.31 176.47 3ag3 h VAL 185 N 0.86 1.29 -0.77 1.41 2.07 -1.51 -1.19 116.25 118.42 3ag3 h VAL 185 Ca 0.20 -1.80 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 3ag3 h VAL 185 Cb 0.20 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 3ag3 h VAL 185 CO -0.02 0.58 0.41 -0.50 0.02 0.00 0.00 177.57 178.07 3ag3 h TRP 186 N 0.58 1.05 -0.27 1.57 4.06 -1.15 -1.33 115.95 120.46 3ag3 h TRP 186 Ca 0.00 -0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.85 3ag3 h TRP 186 Cb 1.18 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 28.99 3ag3 h TRP 186 CO 0.07 0.73 -0.17 0.66 -3.56 0.00 0.00 178.44 176.16 3ag3 h SER 187 N 1.07 0.47 -0.12 -3.49 4.64 -0.57 -1.24 113.55 114.31 3ag3 h SER 187 Ca 0.27 -0.13 -0.09 0.00 -0.47 0.00 0.00 61.79 61.37 3ag3 h SER 187 Cb 0.03 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3ag3 h SER 187 CO -0.04 0.66 -0.26 0.58 -0.87 0.00 0.00 176.83 176.90 3ag3 h VAL 188 N 0.44 1.38 -0.33 0.95 2.07 -0.91 -1.77 116.25 118.07 3ag3 h VAL 188 Ca 0.08 -1.54 0.07 0.00 0.82 0.00 0.00 66.70 66.12 3ag3 h VAL 188 Cb 0.55 2.07 -0.07 0.00 -1.52 0.00 0.00 31.29 32.33 3ag3 h VAL 188 CO 0.04 0.45 -0.13 -0.03 0.02 0.00 0.00 177.57 177.92 3ag3 h MET 189 N -0.02 -0.06 -0.53 1.57 -1.53 -0.83 0.93 114.93 114.45 3ag3 h MET 189 Ca 0.00 0.00 -0.12 0.00 -3.44 0.00 0.00 59.70 56.15 3ag3 h MET 189 Cb 0.86 0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.91 3ag3 h MET 189 CO 0.06 -0.04 -0.14 0.82 0.14 0.00 0.00 176.91 177.74 3ag3 h ILE 190 N -0.07 1.27 -0.66 1.77 2.04 -1.25 -1.39 117.51 119.22 3ag3 h ILE 190 Ca 0.17 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 3ag3 h ILE 190 Cb 0.32 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3ag3 h ILE 190 CO -0.38 0.46 0.38 0.74 0.00 0.00 0.00 178.15 179.35 3ag3 h THR 191 N 0.90 1.20 -0.45 -0.27 2.02 -1.14 -1.73 112.91 113.44 3ag3 h THR 191 Ca 0.13 -0.47 -0.10 0.00 0.77 0.00 0.00 66.41 66.74 3ag3 h THR 191 Cb 0.72 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3ag3 h THR 191 CO 0.06 0.21 -0.13 0.00 0.37 0.00 0.00 175.52 176.03 3ag3 h ALA 192 N 1.19 0.93 -0.32 6.16 0.00 -0.42 -1.29 119.26 125.51 3ag3 h ALA 192 Ca 0.23 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3ag3 h ALA 192 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ag3 h ALA 192 CO -0.04 0.62 -0.14 0.28 0.00 0.00 0.00 179.25 179.97 3ag3 h VAL 193 N 0.74 1.24 -0.77 0.00 2.07 -0.74 0.49 116.25 119.28 3ag3 h VAL 193 Ca 0.12 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 3ag3 h VAL 193 Cb 0.63 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 3ag3 h VAL 193 CO 0.04 0.36 0.39 -0.07 0.02 0.00 0.00 177.57 178.31 3ag3 h LEU 194 N 0.51 0.98 0.04 2.57 4.07 -0.88 -2.19 115.31 120.42 3ag3 h LEU 194 Ca 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 3ag3 h LEU 194 Cb 0.55 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.04 3ag3 h LEU 194 CO 0.03 0.83 -0.02 -0.07 -1.08 0.00 0.00 178.44 178.13 3ag3 h LEU 195 N 1.07 -0.05 -0.80 1.67 3.38 -0.65 -0.01 115.31 119.92 3ag3 h LEU 195 Ca 0.27 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.25 3ag3 h LEU 195 Cb 0.09 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 3ag3 h LEU 195 CO -0.04 0.05 0.45 0.25 0.09 0.00 0.00 178.44 179.24 3ag3 h LEU 196 N -0.15 0.63 0.00 1.67 5.85 -0.67 -2.05 115.31 120.59 3ag3 h LEU 196 Ca -0.01 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3ag3 h LEU 196 Cb 0.13 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3ag3 h LEU 196 CO 0.01 0.35 -1.33 0.18 -0.34 0.00 0.00 178.44 177.31 3ag3 n LEU 197 N -4.77 0.66 -0.01 2.25 4.77 -0.85 -4.40 117.00 114.66 3ag3 n LEU 197 Ca 0.13 0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 56.16 3ag3 n LEU 197 Cb 0.29 -0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 3ag3 n LEU 197 CO 0.26 -0.06 -0.58 0.77 -1.33 0.00 0.00 177.39 176.45 3ag3 h SER 198 N 0.00 0.34 -0.99 -1.43 4.64 -0.88 -3.38 113.55 111.84 3ag3 h SER 198 Ca -0.05 -0.83 0.03 0.00 -0.47 0.00 0.00 61.79 60.46 3ag3 h SER 198 Cb 1.17 -0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 63.09 3ag3 h SER 198 CO 0.01 1.69 0.65 -0.07 -0.87 0.00 0.00 176.83 178.24 3ag3 h LEU 199 N -0.28 1.09 -1.64 5.97 3.38 -1.57 -1.30 115.31 120.97 3ag3 h LEU 199 Ca -0.36 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 3ag3 h LEU 199 Cb 1.79 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 3ag3 h LEU 199 CO 0.03 0.76 -0.20 -0.65 0.09 0.00 0.00 178.44 178.47 3ag3 h PRO 200 N 1.27 0.00 -0.32 1.13 0.11 -1.77 0.23 132.00 132.65 3ag3 h PRO 200 Ca 0.39 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.36 3ag3 h PRO 200 Cb -0.03 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 3ag3 h PRO 200 CO -0.11 0.20 -0.35 0.28 -0.21 0.00 0.00 178.00 177.80 3ag3 h VAL 201 N 0.00 1.29 -0.43 3.15 2.07 -1.43 -0.23 116.25 120.67 3ag3 h VAL 201 Ca -0.00 -1.53 -0.08 0.00 0.82 0.00 0.00 66.70 65.91 3ag3 h VAL 201 Cb 0.36 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3ag3 h VAL 201 CO 0.03 0.50 -0.07 0.25 0.02 0.00 0.00 177.57 178.30 3ag3 h LEU 202 N 0.57 0.73 -0.54 2.57 5.85 -1.14 -0.17 115.31 123.18 3ag3 h LEU 202 Ca 0.05 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 3ag3 h LEU 202 Cb 0.94 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 3ag3 h LEU 202 CO 0.09 0.84 0.12 0.00 -0.34 0.00 0.00 178.44 179.15 3ag3 h ALA 203 N 1.24 0.71 -0.20 1.25 0.00 -0.26 0.73 119.26 122.72 3ag3 h ALA 203 Ca 0.13 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3ag3 h ALA 203 Cb 0.52 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3ag3 h ALA 203 CO 0.03 0.42 -0.21 0.00 0.00 0.00 0.00 179.25 179.48 3ag3 h ALA 204 N 1.01 -0.11 -0.29 0.00 0.00 -0.66 -0.93 119.26 118.28 3ag3 h ALA 204 Ca 0.17 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ag3 h ALA 204 Cb 0.35 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3ag3 h ALA 204 CO 0.00 -0.64 0.18 0.78 0.00 0.00 0.00 179.25 179.57 3ag3 h GLY 205 N -0.23 0.42 2.00 0.00 0.00 -0.14 -0.27 103.07 104.85 3ag3 h GLY 205 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3ag3 h GLY 205 CO -0.34 0.17 0.00 0.16 0.00 0.00 0.00 176.54 176.53 3ag3 h ILE 206 N 0.38 0.00 -0.19 2.60 3.07 -0.89 -0.84 117.51 121.64 3ag3 h ILE 206 Ca 0.11 -0.92 -0.18 0.00 1.55 0.00 0.00 64.86 65.41 3ag3 h ILE 206 Cb 0.00 1.92 -0.00 0.00 -0.27 0.00 0.00 36.82 38.47 3ag3 h ILE 206 CO -0.02 0.00 -0.62 0.74 -1.05 0.00 0.00 178.15 177.20 3ag3 h THR 207 N 0.00 1.31 -0.39 0.16 2.02 -0.66 0.07 112.91 115.42 3ag3 h THR 207 Ca 0.00 -1.87 -0.06 0.00 0.77 0.00 0.00 66.41 65.25 3ag3 h THR 207 Cb 0.92 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 69.14 3ag3 h THR 207 CO 0.00 0.59 -0.01 0.24 0.37 0.00 0.00 175.52 176.71 3ag3 h MET 208 N 0.49 0.63 -0.62 6.66 2.86 -0.57 -0.35 114.93 124.04 3ag3 h MET 208 Ca -0.01 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 3ag3 h MET 208 Cb 1.20 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 3ag3 h MET 208 CO 0.12 0.66 0.10 1.25 1.06 0.00 0.00 176.91 180.09 3ag3 h LEU 209 N 0.59 0.98 -0.70 1.22 5.85 -0.82 0.35 115.31 122.78 3ag3 h LEU 209 Ca 0.12 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3ag3 h LEU 209 Cb 0.39 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3ag3 h LEU 209 CO 0.02 0.99 0.44 0.25 -0.34 0.00 0.00 178.44 179.80 3ag3 h LEU 210 N 0.93 0.71 -0.62 2.25 5.85 -0.52 -0.12 115.31 123.79 3ag3 h LEU 210 Ca 0.19 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 3ag3 h LEU 210 Cb 0.43 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3ag3 h LEU 210 CO 0.01 0.49 -0.60 0.71 -0.34 0.00 0.00 178.44 178.71 3ag3 h THR 211 N 0.84 1.37 -0.21 1.05 1.35 -0.90 -1.43 112.91 114.99 3ag3 h THR 211 Ca 0.29 -1.95 -0.06 0.00 -0.55 0.00 0.00 66.41 64.14 3ag3 h THR 211 Cb 0.04 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 3ag3 h THR 211 CO -0.12 0.58 -0.14 0.44 -0.25 0.00 0.00 175.52 176.03 3ag3 h ASP 212 N 0.22 0.33 1.50 5.36 3.45 -0.54 0.27 116.42 127.01 3ag3 h ASP 212 Ca -0.00 -0.08 -0.10 0.00 0.43 0.00 0.00 57.03 57.27 3ag3 h ASP 212 Cb 1.11 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.78 3ag3 h ASP 212 CO 0.10 0.51 -0.51 0.03 -1.57 0.00 0.00 179.24 177.80 3ag3 h ARG 213 N 0.33 0.00 0.00 3.56 3.08 -0.58 -3.38 114.38 117.38 3ag3 h ARG 213 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3ag3 h ARG 213 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3ag3 h ARG 213 CO 0.03 0.48 -0.49 0.09 -1.07 0.00 0.00 179.97 179.00 3ag3 n ASN 214 N -3.21 2.47 -0.02 7.04 3.02 -0.58 -4.76 115.26 119.21 3ag3 n ASN 214 Ca 0.02 -0.07 0.03 0.00 -0.03 0.00 0.00 54.58 54.53 3ag3 n ASN 214 Cb 0.73 0.63 0.04 0.00 -0.61 0.00 0.00 39.78 40.56 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 -0.87 1.99 -2.53 3.41 4.77 0.91 -5.00 117.00 119.68 3ag3 n LEU 215 Ca 0.00 -2.19 -0.20 0.00 -0.03 0.00 0.00 56.01 53.58 3ag3 n LEU 215 Cb 0.00 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 40.99 3ag3 n LEU 215 CO 0.00 0.53 -0.15 0.59 -1.33 0.00 0.00 177.39 177.04 3ag3 n ASN 216 N -0.71 -5.79 -4.62 -1.43 3.02 -1.07 -4.97 115.26 99.69 3ag3 n ASN 216 Ca 0.04 -0.13 -0.29 0.00 -0.03 0.00 0.00 54.58 54.17 3ag3 n ASN 216 Cb 0.36 -4.73 0.13 0.00 -0.61 0.00 0.00 39.78 34.93 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 -3.06 2.00 -0.28 3.41 -4.23 -1.14 -5.01 115.64 107.32 3ag3 s THR 217 Ca 0.12 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 60.84 3ag3 s THR 217 Cb -0.05 -2.99 0.49 0.00 1.34 0.00 0.00 72.50 71.28 3ag3 s THR 217 CO 0.15 0.00 1.09 0.35 -0.54 0.00 0.00 174.62 175.67 3ag3 n THR 218 N -3.50 1.11 -0.27 3.99 -2.24 -1.26 -4.36 114.28 107.76 3ag3 n THR 218 Ca 0.11 -2.84 0.05 0.00 -2.27 0.00 0.00 64.05 59.09 3ag3 n THR 218 Cb 0.60 1.11 0.28 0.00 -2.10 0.00 0.00 70.33 70.22 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 2.63 0.95 -0.21 4.78 -1.00 -1.95 -2.97 116.94 119.18 3ag3 h PHE 219 Ca -0.15 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.66 3ag3 h PHE 219 Cb 1.25 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 40.49 3ag3 h PHE 219 CO 0.47 0.50 0.00 1.19 -1.61 0.00 0.00 178.31 178.85 3ag3 n PHE 220 N -4.49 0.28 -3.78 -0.55 3.72 -1.26 -1.69 117.46 109.69 3ag3 n PHE 220 Ca 0.13 -0.47 -0.37 0.00 -0.05 0.00 0.00 57.45 56.69 3ag3 n PHE 220 Cb 0.21 -0.03 -0.13 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.97 5.12 0.57 4.37 -1.08 -1.13 -2.95 116.67 120.59 3ag3 s ASP 221 Ca 0.15 -0.90 0.26 0.00 -0.52 0.00 0.00 52.55 51.54 3ag3 s ASP 221 Cb 0.08 -1.85 1.60 0.00 -1.46 0.00 0.00 42.92 41.28 3ag3 s ASP 221 CO 0.10 -0.24 2.14 -0.65 0.52 0.00 0.00 175.17 177.04 3ag3 h PRO 222 N 8.20 0.00 -0.76 4.34 0.11 -1.85 -0.05 132.00 142.00 3ag3 h PRO 222 Ca -0.28 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.96 3ag3 h PRO 222 Cb 1.11 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 3ag3 h PRO 222 CO 0.60 0.00 0.50 0.00 -0.21 0.00 0.00 178.00 178.89 3ag3 h ALA 223 N 1.86 2.03 -0.32 -0.75 0.00 -1.94 -0.62 119.26 119.51 3ag3 h ALA 223 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ag3 h ALA 223 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ag3 h ALA 223 CO -0.00 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.44 3ag3 n GLY 224 N -1.50 1.21 0.72 0.00 0.00 -0.63 -4.93 105.19 100.06 3ag3 n GLY 224 Ca 0.14 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.37 0.80 1.05 -0.02 0.00 -0.24 -4.95 105.19 103.18 3ag3 n GLY 225 Ca 0.18 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.36 -0.10 3.41 -0.02 0.00 -0.13 -4.91 105.19 101.09 3ag3 n GLY 226 Ca 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.19 -0.86 0.48 1.61 3.68 -0.68 -3.33 116.67 115.38 3ag3 s ASP 227 Ca 0.19 1.21 0.17 0.00 2.13 0.00 0.00 52.55 56.25 3ag3 s ASP 227 Cb -0.01 1.96 1.17 0.00 -1.45 0.00 0.00 42.92 44.59 3ag3 s ASP 227 CO 0.13 -0.24 2.03 -0.65 0.13 0.00 0.00 175.17 176.58 3ag3 h PRO 228 N 8.06 0.21 0.00 4.34 0.11 -1.81 -0.97 132.00 141.92 3ag3 h PRO 228 Ca -0.18 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.88 3ag3 h PRO 228 Cb 1.12 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3ag3 h PRO 228 CO 0.15 0.14 -0.17 0.82 -0.21 0.00 0.00 178.00 178.72 3ag3 h ILE 229 N 0.21 0.62 -0.52 4.15 1.08 -1.91 -2.45 117.51 118.69 3ag3 h ILE 229 Ca 0.19 -0.76 -0.07 0.00 -0.39 0.00 0.00 64.86 63.83 3ag3 h ILE 229 Cb 0.48 1.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.69 3ag3 h ILE 229 CO -0.03 0.17 0.05 0.25 -0.69 0.00 0.00 178.15 177.89 3ag3 h LEU 230 N 0.00 0.81 -0.55 1.44 5.85 -1.52 -1.91 115.31 119.44 3ag3 h LEU 230 Ca -0.00 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3ag3 h LEU 230 Cb 0.47 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3ag3 h LEU 230 CO 0.02 0.84 0.31 0.22 -0.34 0.00 0.00 178.44 179.50 3ag3 h TYR 231 N 0.80 0.74 -0.62 1.25 5.03 -1.53 -2.15 116.97 120.48 3ag3 h TYR 231 Ca 0.16 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 3ag3 h TYR 231 Cb 0.41 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.42 3ag3 h TYR 231 CO 0.02 0.53 0.36 1.96 -1.32 0.00 0.00 178.16 179.70 3ag3 h GLN 232 N 0.73 0.85 -0.84 1.82 4.20 -1.36 0.17 115.11 120.70 3ag3 h GLN 232 Ca 0.19 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.84 3ag3 h GLN 232 Cb 0.02 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.58 3ag3 h GLN 232 CO -0.03 0.63 0.54 0.45 -0.67 0.00 0.00 178.83 179.75 3ag3 h HIS 233 N 0.84 1.03 0.06 2.96 3.86 -1.07 0.20 115.15 123.02 3ag3 h HIS 233 Ca 0.22 0.03 -0.24 0.00 -1.16 0.00 0.00 60.37 59.22 3ag3 h HIS 233 Cb 0.01 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.13 3ag3 h HIS 233 CO -0.01 0.61 -1.08 -0.07 0.86 0.00 0.00 177.93 178.24 3ag3 h LEU 234 N 1.08 0.33 0.20 2.43 3.38 -0.74 0.04 115.31 122.04 3ag3 h LEU 234 Ca 0.32 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3ag3 h LEU 234 Cb -0.05 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3ag3 h LEU 234 CO -0.09 1.20 -0.10 0.15 0.09 0.00 0.00 178.44 179.69 3ag3 h PHE 235 N 0.09 -0.25 0.00 1.13 3.57 -0.57 -3.04 116.94 117.87 3ag3 h PHE 235 Ca -0.09 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.32 3ag3 h PHE 235 Cb 1.78 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.60 3ag3 h PHE 235 CO 0.05 -0.16 -0.41 -1.49 -2.23 0.00 0.00 178.31 174.07 3ag3 h TRP 236 N -0.27 0.00 -0.97 0.41 4.06 -0.90 0.36 115.95 118.63 3ag3 h TRP 236 Ca -0.03 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.96 3ag3 h TRP 236 Cb 0.21 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.31 3ag3 h TRP 236 CO -0.06 0.41 0.64 0.35 -3.56 0.00 0.00 178.44 176.21 3ag3 h PHE 237 N 0.00 1.18 -0.08 0.49 3.04 -0.94 0.70 116.94 121.33 3ag3 h PHE 237 Ca -0.00 0.03 -0.22 0.00 3.98 0.00 0.00 57.97 61.75 3ag3 h PHE 237 Cb 0.98 -0.40 0.01 0.00 2.56 0.00 0.00 35.95 39.10 3ag3 h PHE 237 CO 0.00 0.68 -0.84 0.35 -2.02 0.00 0.00 178.31 176.48 3ag3 h PHE 238 N 1.22 0.86 -0.17 0.41 3.57 -1.33 -3.38 116.94 118.12 3ag3 h PHE 238 Ca 0.38 -0.41 -0.14 0.00 3.53 0.00 0.00 57.97 61.34 3ag3 h PHE 238 Cb 0.01 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3ag3 h PHE 238 CO -0.00 1.22 -0.49 0.78 -2.23 0.00 0.00 178.31 177.59 3ag3 h GLY 239 N 0.83 0.48 0.54 2.40 0.00 0.72 -0.44 103.07 107.61 3ag3 h GLY 239 Ca -0.07 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 3ag3 h GLY 239 CO 0.16 0.47 -0.20 0.84 0.00 0.00 0.00 176.54 177.80 3ag3 h HIS 240 N 0.35 0.28 -0.96 5.60 -0.00 -1.12 -2.58 115.15 116.72 3ag3 h HIS 240 Ca 0.02 -0.12 0.21 0.00 -0.00 0.00 0.00 60.37 60.48 3ag3 h HIS 240 Cb 0.99 -0.04 -0.12 0.00 -0.00 0.00 0.00 27.41 28.24 3ag3 h HIS 240 CO 0.03 0.85 0.53 -1.35 -0.00 0.00 0.00 177.93 177.99 3ag3 h PRO 241 N -0.37 0.57 -0.96 5.26 0.11 -1.54 0.11 132.00 135.18 3ag3 h PRO 241 Ca -0.02 -0.03 0.14 0.00 0.11 0.00 0.00 66.00 66.20 3ag3 h PRO 241 Cb 0.87 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 31.77 3ag3 h PRO 241 CO 0.04 0.38 0.61 1.49 -0.21 0.00 0.00 178.00 180.31 3ag3 h GLU 242 N 0.59 0.83 -0.03 1.05 4.57 -0.87 0.22 114.58 120.94 3ag3 h GLU 242 Ca 0.59 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.55 3ag3 h GLU 242 Cb 1.04 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 3ag3 h GLU 242 CO -0.45 0.55 -0.72 -0.39 -1.18 0.00 0.00 179.01 176.82 3ag3 h VAL 243 N 0.85 1.45 -0.05 0.32 -1.51 -0.38 0.61 116.25 117.54 3ag3 h VAL 243 Ca 0.49 -2.28 -0.22 0.00 -1.23 0.00 0.00 66.70 63.45 3ag3 h VAL 243 Cb 0.62 2.22 0.01 0.00 -2.13 0.00 0.00 31.29 32.00 3ag3 h VAL 243 CO -0.25 0.66 -0.88 1.88 -1.23 0.00 0.00 177.57 177.75 3ag3 h TYR 244 N 0.12 0.77 -0.67 5.19 0.05 -1.05 -2.79 116.97 118.59 3ag3 h TYR 244 Ca -0.02 -0.39 0.08 0.00 0.05 0.00 0.00 58.73 58.45 3ag3 h TYR 244 Cb 1.27 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 38.87 3ag3 h TYR 244 CO 0.02 1.20 0.44 0.82 -1.05 0.00 0.00 178.16 179.59 3ag3 h ILE 245 N 0.33 0.97 0.00 -2.88 2.04 -0.14 0.12 117.51 117.95 3ag3 h ILE 245 Ca -0.07 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.48 3ag3 h ILE 245 Cb 1.51 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3ag3 h ILE 245 CO 0.16 0.11 -0.45 -0.07 0.00 0.00 0.00 178.15 177.91 3ag3 h LEU 246 N 0.62 0.00 0.00 1.44 3.38 -0.63 -3.32 115.31 116.80 3ag3 h LEU 246 Ca 0.30 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.97 3ag3 h LEU 246 Cb 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 3ag3 h LEU 246 CO -0.10 0.45 -2.25 0.00 0.09 0.00 0.00 178.44 176.63 3ag3 n ILE 247 N -3.90 1.12 -0.17 1.22 0.13 -0.94 -4.58 119.36 112.24 3ag3 n ILE 247 Ca -0.01 -0.76 -0.02 0.00 -1.10 0.00 0.00 62.75 60.85 3ag3 n ILE 247 Cb 0.49 -0.42 0.07 0.00 -0.84 0.00 0.00 39.64 38.94 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 0.00 0.15 -1.82 9.51 3.38 -0.87 0.10 115.31 125.77 3ag3 h LEU 248 Ca -0.44 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3ag3 h LEU 248 Cb 2.00 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.81 3ag3 h LEU 248 CO 0.02 0.11 0.00 -0.65 0.09 0.00 0.00 178.44 178.01 3ag3 h PRO 249 N 0.34 0.00 -0.18 1.13 0.11 -1.78 -0.88 132.00 130.74 3ag3 h PRO 249 Ca 0.26 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.22 3ag3 h PRO 249 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 3ag3 h PRO 249 CO -0.28 0.00 -0.47 0.78 -0.21 0.00 0.00 178.00 177.82 3ag3 h GLY 250 N 1.57 0.69 0.99 -0.55 0.00 -1.32 -0.60 103.07 103.85 3ag3 h GLY 250 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 47.33 46.41 3ag3 h GLY 250 CO 0.00 0.78 0.17 0.74 0.00 0.00 0.00 176.54 178.23 3ag3 h PHE 251 N 0.30 0.87 -0.02 5.60 0.05 0.30 0.27 116.94 124.32 3ag3 h PHE 251 Ca -0.01 -0.09 0.03 0.00 3.82 0.00 0.00 57.97 61.72 3ag3 h PHE 251 Cb 1.09 -0.25 -0.04 0.00 2.00 0.00 0.00 35.95 38.75 3ag3 h PHE 251 CO 0.09 0.74 -0.16 0.78 -0.18 0.00 0.00 178.31 179.58 3ag3 h GLY 252 N 0.75 -0.20 1.00 -1.45 0.00 -0.99 -1.43 103.07 100.77 3ag3 h GLY 252 Ca 0.18 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.70 3ag3 h GLY 252 CO -0.01 -0.16 0.43 -0.33 0.00 0.00 0.00 176.54 176.48 3ag3 h MET 253 N -0.26 0.94 -0.67 4.80 2.86 -0.67 -2.57 114.93 119.38 3ag3 h MET 253 Ca 0.06 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3ag3 h MET 253 Cb 0.34 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 3ag3 h MET 253 CO -0.17 0.66 0.43 0.82 1.06 0.00 0.00 176.91 179.70 3ag3 h ILE 254 N 0.95 1.13 -0.93 -1.22 1.08 -0.83 0.74 117.51 118.42 3ag3 h ILE 254 Ca 0.25 -0.29 0.07 0.00 -0.39 0.00 0.00 64.86 64.50 3ag3 h ILE 254 Cb -0.05 0.20 -0.07 0.00 -3.07 0.00 0.00 36.82 33.83 3ag3 h ILE 254 CO -0.05 0.16 0.59 0.28 -0.69 0.00 0.00 178.15 178.44 3ag3 h SER 255 N 0.85 0.94 -0.09 1.72 0.02 -0.96 0.86 113.55 116.90 3ag3 h SER 255 Ca 0.26 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 61.05 3ag3 h SER 255 Cb -0.04 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 3ag3 h SER 255 CO -0.08 0.59 -0.53 0.45 -1.14 0.00 0.00 176.83 176.12 3ag3 h HIS 256 N 1.07 0.84 -0.01 3.45 3.86 -0.99 -2.33 115.15 121.03 3ag3 h HIS 256 Ca 0.41 -0.29 -0.26 0.00 -1.16 0.00 0.00 60.37 59.06 3ag3 h HIS 256 Cb 0.18 -0.16 0.02 0.00 1.06 0.00 0.00 27.41 28.51 3ag3 h HIS 256 CO -0.02 1.06 -1.02 0.82 0.86 0.00 0.00 177.93 179.64 3ag3 h ILE 257 N 0.52 1.28 -0.36 2.45 2.04 -0.27 -1.60 117.51 121.56 3ag3 h ILE 257 Ca 0.01 -2.22 -0.12 0.00 1.00 0.00 0.00 64.86 63.54 3ag3 h ILE 257 Cb 1.10 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 3ag3 h ILE 257 CO 0.11 0.69 -0.25 0.58 0.00 0.00 0.00 178.15 179.28 3ag3 h VAL 258 N 0.40 1.27 -0.25 1.67 2.07 -0.90 -0.83 116.25 119.68 3ag3 h VAL 258 Ca -0.12 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 3ag3 h VAL 258 Cb 1.67 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 3ag3 h VAL 258 CO 0.20 0.45 0.13 0.74 0.02 0.00 0.00 177.57 179.11 3ag3 h THR 259 N 0.63 1.13 0.16 2.57 2.02 -1.33 -1.89 112.91 116.20 3ag3 h THR 259 Ca 0.08 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 3ag3 h THR 259 Cb 0.75 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3ag3 h THR 259 CO 0.06 0.13 -0.07 0.22 0.37 0.00 0.00 175.52 176.22 3ag3 h TYR 260 N 0.28 -0.19 -0.01 3.16 3.20 -1.06 -0.97 116.97 121.38 3ag3 h TYR 260 Ca 0.09 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3ag3 h TYR 260 Cb 0.08 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3ag3 h TYR 260 CO -0.03 0.02 -0.06 0.66 -1.64 0.00 0.00 178.16 177.10 3ag3 n TYR 261 N -5.10 0.00 1.26 -3.82 4.01 -0.34 -1.91 117.16 111.25 3ag3 n TYR 261 Ca -0.09 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.78 3ag3 n TYR 261 Cb 0.17 -0.10 0.39 0.00 -0.31 0.00 0.00 39.34 39.49 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 -0.73 1.95 -1.66 7.72 7.64 -0.71 -0.66 113.62 127.16 3ag3 n SER 262 Ca 0.18 -1.67 -0.14 0.00 1.01 0.00 0.00 58.87 58.25 3ag3 n SER 262 Cb 0.26 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 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 1.22 -0.15 3.91 0.23 0.00 -0.80 -2.13 105.19 107.47 3ag3 n GLY 263 Ca 0.17 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.84 3.49 0.12 1.61 -0.14 -0.39 -4.82 119.74 114.77 3ag3 s LYS 264 Ca 0.06 -0.32 0.26 0.00 -1.36 0.00 0.00 55.97 54.60 3ag3 s LYS 264 Cb -0.02 -2.99 0.97 0.00 -1.68 0.00 0.00 37.83 34.11 3ag3 s LYS 264 CO 0.07 0.57 1.81 0.36 -0.76 0.00 0.00 175.35 177.40 3ag3 n LYS 265 N 0.29 0.14 -3.50 1.68 2.85 -1.26 -4.52 118.16 113.84 3ag3 n LYS 265 Ca -0.05 0.15 -0.17 0.00 -1.05 0.00 0.00 58.31 57.20 3ag3 n LYS 265 Cb 0.51 -1.68 -0.05 0.00 -0.65 0.00 0.00 35.03 33.16 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 1.10 0.62 -1.58 -1.05 -1.26 -4.87 118.70 108.58 3ag3 s GLU 266 Ca 0.11 0.11 -0.17 0.00 -0.15 0.00 0.00 54.97 54.88 3ag3 s GLU 266 Cb 0.14 0.51 -0.02 0.00 -0.44 0.00 0.00 34.13 34.33 3ag3 s GLU 266 CO 0.53 -0.37 1.13 -1.25 0.95 0.00 0.00 175.26 176.25 3ag3 s PRO 267 N -1.70 2.95 0.29 -4.83 0.04 -1.26 -4.95 135.00 125.54 3ag3 s PRO 267 Ca -0.08 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.19 3ag3 s PRO 267 Cb -0.00 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 3ag3 s PRO 267 CO 0.05 -1.16 1.32 0.12 0.04 0.00 0.00 177.00 177.38 3ag3 s PHE 268 N -2.07 3.10 -0.89 0.56 5.36 -1.26 -4.01 117.98 118.76 3ag3 s PHE 268 Ca 0.70 1.32 -0.03 0.00 -0.96 0.00 0.00 56.93 57.97 3ag3 s PHE 268 Cb -0.23 -3.68 -0.03 0.00 -0.34 0.00 0.00 43.02 38.74 3ag3 s PHE 268 CO 0.36 -1.96 0.77 0.41 -1.46 0.00 0.00 175.22 173.34 3ag3 n GLY 269 N 1.32 -0.54 0.27 13.12 0.00 -1.26 -4.81 105.19 113.29 3ag3 n GLY 269 Ca 0.02 0.25 0.03 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.13 0.61 0.00 1.61 3.20 -1.99 -0.65 116.97 118.61 3ag3 h TYR 270 Ca -0.48 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.27 3ag3 h TYR 270 Cb 1.26 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 3ag3 h TYR 270 CO 0.29 0.19 -0.71 0.52 -1.64 0.00 0.00 178.16 176.80 3ag3 h MET 271 N 0.56 0.00 -0.54 1.82 2.86 -1.96 -1.19 114.93 116.48 3ag3 h MET 271 Ca 0.37 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.98 3ag3 h MET 271 Cb 0.44 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 3ag3 h MET 271 CO -0.31 0.71 0.23 0.78 1.06 0.00 0.00 176.91 179.38 3ag3 h GLY 272 N 2.65 0.82 1.14 8.32 0.00 -1.55 -0.16 103.07 114.29 3ag3 h GLY 272 Ca -0.01 -0.40 -0.21 0.00 0.00 0.00 0.00 47.33 46.72 3ag3 h GLY 272 CO 0.09 0.38 -0.69 -0.33 0.00 0.00 0.00 176.54 176.00 3ag3 h MET 273 N 0.76 0.80 0.21 4.80 2.07 -0.37 0.94 114.93 124.14 3ag3 h MET 273 Ca 0.19 -0.61 -0.01 0.00 -2.07 0.00 0.00 59.70 57.20 3ag3 h MET 273 Cb 0.13 0.11 -0.00 0.00 -1.87 0.00 0.00 31.60 29.97 3ag3 h MET 273 CO -0.02 1.22 -0.13 0.28 1.07 0.00 0.00 176.91 179.33 3ag3 h VAL 274 N 0.55 0.71 -0.61 -2.22 2.07 -1.14 -1.79 116.25 113.83 3ag3 h VAL 274 Ca -0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.56 3ag3 h VAL 274 Cb 1.31 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 3ag3 h VAL 274 CO 0.14 0.00 0.28 -0.25 0.02 0.00 0.00 177.57 177.77 3ag3 h TRP 275 N -0.34 0.51 -0.28 1.57 7.01 -0.96 -1.05 115.95 122.41 3ag3 h TRP 275 Ca -0.02 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 3ag3 h TRP 275 Cb 0.28 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.20 3ag3 h TRP 275 CO -0.09 0.19 0.10 0.00 -2.79 0.00 0.00 178.44 175.86 3ag3 h ALA 276 N 1.37 0.37 -0.73 2.65 0.00 -0.70 0.28 119.26 122.51 3ag3 h ALA 276 Ca 0.29 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3ag3 h ALA 276 Cb 0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3ag3 h ALA 276 CO -0.24 -0.02 0.34 0.52 0.00 0.00 0.00 179.25 179.85 3ag3 h MET 277 N 0.30 1.04 -0.29 0.00 2.86 -1.06 -1.50 114.93 116.29 3ag3 h MET 277 Ca 0.09 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 3ag3 h MET 277 Cb 0.20 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3ag3 h MET 277 CO -0.01 0.81 -0.17 0.52 1.06 0.00 0.00 176.91 179.12 3ag3 h MET 278 N 1.04 0.64 -0.78 1.72 2.07 -0.93 -0.45 114.93 118.23 3ag3 h MET 278 Ca 0.25 -0.29 0.02 0.00 -2.07 0.00 0.00 59.70 57.61 3ag3 h MET 278 Cb 0.12 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.79 3ag3 h MET 278 CO -0.03 0.88 0.50 0.77 1.07 0.00 0.00 176.91 180.10 3ag3 h SER 279 N 0.38 0.84 -0.01 1.22 0.02 -0.27 -1.48 113.55 114.26 3ag3 h SER 279 Ca 0.06 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 3ag3 h SER 279 Cb 0.71 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 3ag3 h SER 279 CO 0.05 0.59 -0.46 0.40 -1.14 0.00 0.00 176.83 176.27 3ag3 h ILE 280 N 0.99 1.31 -0.12 3.27 2.04 -1.14 -0.65 117.51 123.21 3ag3 h ILE 280 Ca 0.30 -1.66 -0.16 0.00 1.00 0.00 0.00 64.86 64.34 3ag3 h ILE 280 Cb -0.03 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3ag3 h ILE 280 CO -0.09 0.52 -0.62 1.23 0.00 0.00 0.00 178.15 179.19 3ag3 h GLY 281 N 1.06 0.47 0.65 5.37 0.00 -0.64 0.41 103.07 110.39 3ag3 h GLY 281 Ca 0.03 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 3ag3 h GLY 281 CO 0.09 0.53 -0.04 -2.75 0.00 0.00 0.00 176.54 174.36 3ag3 h PHE 282 N 0.32 0.18 0.00 5.60 3.57 -1.09 -3.08 116.94 122.44 3ag3 h PHE 282 Ca -0.01 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 3ag3 h PHE 282 Cb 1.16 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.86 3ag3 h PHE 282 CO 0.04 0.55 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.55 3ag3 h LEU 283 N -0.24 0.00 0.00 0.59 3.38 -1.06 -1.81 115.31 116.17 3ag3 h LEU 283 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ag3 h LEU 283 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3ag3 h LEU 283 CO 0.01 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.20 3ag3 n GLY 284 N -0.27 -0.80 0.17 0.83 0.00 0.13 -2.11 105.19 103.14 3ag3 n GLY 284 Ca -0.00 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.41 0.00 -1.39 1.61 3.72 -0.68 -3.55 117.46 115.76 3ag3 n PHE 285 Ca 0.04 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.51 3ag3 n PHE 285 Cb 0.12 -0.04 0.15 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.00 1.76 -0.32 4.37 -5.35 -0.90 -4.69 119.36 113.24 3ag3 n ILE 286 Ca 0.06 -2.36 0.00 0.00 -0.27 0.00 0.00 62.75 60.18 3ag3 n ILE 286 Cb 0.37 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 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 -1.13 0.07 0.30 7.28 0.24 -1.25 -4.87 118.33 118.97 3ag3 n VAL 287 Ca 0.15 -0.37 0.18 0.00 -2.04 0.00 0.00 64.34 62.26 3ag3 n VAL 287 Cb 0.69 1.26 0.94 0.00 -1.47 0.00 0.00 33.84 35.26 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 -0.02 6.34 0.09 -1.84 -2.44 115.95 118.08 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 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.45 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 -2.15 2.58 0.31 0.11 0.00 -1.26 -1.63 120.51 118.47 3ag3 n ALA 289 Ca -0.02 -0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.31 3ag3 n ALA 289 Cb 0.17 -1.24 0.19 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.62 0.00 1.84 0.00 1.44 -0.92 -1.30 115.22 115.67 3ag3 n HIS 290 Ca 0.12 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.98 3ag3 n HIS 290 Cb 0.09 -0.48 0.77 0.00 0.12 0.00 0.00 29.99 30.49 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 -1.48 0.01 -2.35 -1.40 8.25 -0.65 -4.21 115.22 113.39 3ag3 n HIS 291 Ca 0.02 -0.01 0.04 0.00 -0.26 0.00 0.00 57.72 57.52 3ag3 n HIS 291 Cb 0.10 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.63 0.21 0.16 -0.41 2.00 -0.42 -4.89 117.12 113.14 3ag3 n MET 292 Ca 0.21 -2.11 0.12 0.00 0.00 0.00 0.00 57.70 55.92 3ag3 n MET 292 Cb 0.17 -0.24 0.55 0.00 0.00 0.00 0.00 33.22 33.70 3ag3 n MET 292 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 175.97 176.71 3ag3 h PHE 293 N 0.93 0.00 -0.50 2.03 0.04 -1.73 -2.55 116.94 115.17 3ag3 h PHE 293 Ca -0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.58 3ag3 h PHE 293 Cb 1.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.90 3ag3 h PHE 293 CO 0.25 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 178.21 3ag3 n THR 294 N -2.34 1.81 1.34 -1.55 -2.24 -1.26 -4.56 114.28 105.48 3ag3 n THR 294 Ca 0.01 -1.32 0.13 0.00 -2.27 0.00 0.00 64.05 60.61 3ag3 n THR 294 Cb 0.19 0.10 0.47 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.63 0.00 0.00 2.28 0.24 -0.96 -4.87 118.33 115.65 3ag3 n VAL 295 Ca 0.22 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 3ag3 n VAL 295 Cb 0.81 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 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 1.29 0.77 3.72 7.63 0.00 -1.26 -5.11 105.19 112.23 3ag3 n GLY 296 Ca 0.14 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.49 2.95 0.53 1.61 1.00 -1.26 -5.08 119.30 117.56 3ag3 s MET 297 Ca 0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 55.69 54.97 3ag3 s MET 297 Cb 0.00 -2.78 -0.06 0.00 0.00 0.00 0.00 34.83 31.99 3ag3 s MET 297 CO 0.00 0.66 1.24 -0.25 0.00 0.00 0.00 175.02 176.67 3ag3 n ASP 298 N 1.53 2.19 -0.08 3.03 8.00 -1.26 -4.81 116.55 125.15 3ag3 n ASP 298 Ca -0.15 0.97 -0.01 0.00 0.71 0.00 0.00 54.79 56.30 3ag3 n ASP 298 Cb 0.53 -1.51 0.25 0.00 -0.02 0.00 0.00 41.12 40.37 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 1.34 1.20 -0.12 2.53 3.04 -1.99 -1.39 116.25 120.86 3ag3 h VAL 299 Ca -0.49 -0.73 -0.16 0.00 -1.01 0.00 0.00 66.70 64.31 3ag3 h VAL 299 Cb 1.32 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 31.30 3ag3 h VAL 299 CO 0.56 0.27 -0.61 0.44 -1.01 0.00 0.00 177.57 177.22 3ag3 h ASP 300 N 0.69 0.48 -0.63 3.17 3.32 -2.00 -0.65 116.42 120.81 3ag3 h ASP 300 Ca 0.16 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 3ag3 h ASP 300 Cb 0.25 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3ag3 h ASP 300 CO -0.00 0.98 0.29 0.74 -1.72 0.00 0.00 179.24 179.53 3ag3 h THR 301 N 0.31 1.22 -1.00 0.35 2.02 -1.85 -1.53 112.91 112.43 3ag3 h THR 301 Ca -0.01 -0.65 0.08 0.00 0.77 0.00 0.00 66.41 66.60 3ag3 h THR 301 Cb 1.15 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.97 3ag3 h THR 301 CO 0.11 0.26 0.64 0.03 0.37 0.00 0.00 175.52 176.93 3ag3 h ARG 302 N 0.88 1.08 -0.46 6.66 3.08 -0.98 -0.58 114.38 124.06 3ag3 h ARG 302 Ca 0.22 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 3ag3 h ARG 302 Cb 0.14 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3ag3 h ARG 302 CO -0.02 0.72 0.19 0.00 -1.07 0.00 0.00 179.97 179.78 3ag3 h ALA 303 N 1.48 0.60 0.31 0.04 0.00 -0.66 -1.04 119.26 119.98 3ag3 h ALA 303 Ca 0.45 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3ag3 h ALA 303 Cb 0.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ag3 h ALA 303 CO -0.20 0.21 -0.15 -0.92 0.00 0.00 0.00 179.25 178.19 3ag3 h TYR 304 N 0.61 -0.39 -0.46 0.00 3.20 -1.15 -1.99 116.97 116.79 3ag3 h TYR 304 Ca 0.15 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 3ag3 h TYR 304 Cb 0.19 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3ag3 h TYR 304 CO 0.00 -0.09 0.22 0.74 -1.64 0.00 0.00 178.16 177.40 3ag3 h PHE 305 N -0.68 0.63 -0.14 -3.82 0.04 -1.03 0.72 116.94 112.66 3ag3 h PHE 305 Ca -0.04 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.73 3ag3 h PHE 305 Cb 0.47 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3ag3 h PHE 305 CO 0.01 0.47 0.05 1.15 -0.60 0.00 0.00 178.31 179.39 3ag3 h THR 306 N 0.65 0.98 -0.14 -1.55 2.02 -1.18 -1.78 112.91 111.90 3ag3 h THR 306 Ca 0.16 -0.04 -0.11 0.00 0.77 0.00 0.00 66.41 67.19 3ag3 h THR 306 Cb 0.07 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 3ag3 h THR 306 CO -0.02 0.02 -0.32 0.28 0.37 0.00 0.00 175.52 175.85 3ag3 h SER 307 N 0.13 0.53 -0.70 4.18 0.02 -0.81 -2.24 113.55 114.66 3ag3 h SER 307 Ca 0.06 -0.57 -0.06 0.00 -0.84 0.00 0.00 61.79 60.38 3ag3 h SER 307 Cb 0.03 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 3ag3 h SER 307 CO -0.06 1.00 0.22 0.00 -1.14 0.00 0.00 176.83 176.85 3ag3 h ALA 308 N 0.54 0.92 -0.51 3.77 0.00 -0.91 -2.36 119.26 120.71 3ag3 h ALA 308 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3ag3 h ALA 308 Cb 0.92 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3ag3 h ALA 308 CO 0.07 0.59 0.32 1.15 0.00 0.00 0.00 179.25 181.39 3ag3 h THR 309 N 1.03 1.09 -0.42 0.00 2.02 -1.30 -3.08 112.91 112.26 3ag3 h THR 309 Ca 0.23 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3ag3 h THR 309 Cb 0.30 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3ag3 h THR 309 CO -0.01 0.12 0.04 0.24 0.37 0.00 0.00 175.52 176.28 3ag3 h MET 310 N 0.65 0.65 -1.07 6.66 2.86 -0.89 -2.37 114.93 121.42 3ag3 h MET 310 Ca 0.20 -0.14 0.29 0.00 -2.06 0.00 0.00 59.70 57.99 3ag3 h MET 310 Cb -0.03 -0.09 -0.11 0.00 0.06 0.00 0.00 31.60 31.43 3ag3 h MET 310 CO -0.07 0.63 0.67 0.82 1.06 0.00 0.00 176.91 180.03 3ag3 h ILE 311 N 0.62 0.44 -0.34 -1.22 2.04 -1.37 0.27 117.51 117.95 3ag3 h ILE 311 Ca 0.13 -0.13 0.10 0.00 1.00 0.00 0.00 64.86 65.96 3ag3 h ILE 311 Cb 0.33 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3ag3 h ILE 311 CO 0.01 0.07 0.39 0.40 0.00 0.00 0.00 178.15 179.02 3ag3 h ILE 312 N 0.37 0.37 -0.04 -0.67 2.04 -1.50 -1.29 117.51 116.79 3ag3 h ILE 312 Ca 0.65 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.53 3ag3 h ILE 312 Cb 1.63 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3ag3 h ILE 312 CO -0.39 0.00 0.04 0.00 0.00 0.00 0.00 178.15 177.81 3ag3 h ALA 313 N 1.54 1.69 0.50 1.87 0.00 -1.12 -2.82 119.26 120.92 3ag3 h ALA 313 Ca 0.16 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3ag3 h ALA 313 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3ag3 h ALA 313 CO -0.00 -0.06 -0.24 0.82 0.00 0.00 0.00 179.25 179.76 3ag3 h ILE 314 N 0.00 0.00 0.00 0.00 2.04 -1.43 -0.00 117.51 118.12 3ag3 h ILE 314 Ca 0.02 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3ag3 h ILE 314 Cb 0.10 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 3ag3 h ILE 314 CO -0.00 0.00 -0.07 1.55 0.00 0.00 0.00 178.15 179.63 3ag3 h PRO 315 N -0.98 0.00 -0.11 2.37 0.13 -1.72 -1.85 132.00 129.83 3ag3 h PRO 315 Ca -0.07 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.89 3ag3 h PRO 315 Cb 0.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 3ag3 h PRO 315 CO 0.11 0.07 -0.67 1.15 -0.23 0.00 0.00 178.00 178.43 3ag3 h THR 316 N 0.00 1.36 -0.43 1.56 2.02 -1.45 -2.64 112.91 113.32 3ag3 h THR 316 Ca -0.00 -2.02 -0.05 0.00 0.77 0.00 0.00 66.41 65.12 3ag3 h THR 316 Cb 0.14 2.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 3ag3 h THR 316 CO 0.01 0.61 0.09 1.23 0.37 0.00 0.00 175.52 177.83 3ag3 h GLY 317 N 1.19 0.75 0.17 2.16 0.00 -0.41 -1.30 103.07 105.63 3ag3 h GLY 317 Ca -0.02 -0.49 0.16 0.00 0.00 0.00 0.00 47.33 46.98 3ag3 h GLY 317 CO 0.12 0.45 0.43 -2.08 0.00 0.00 0.00 176.54 175.46 3ag3 h VAL 318 N 0.56 0.70 -0.27 4.60 2.07 -1.17 0.30 116.25 123.04 3ag3 h VAL 318 Ca 0.13 -0.20 -0.16 0.00 0.82 0.00 0.00 66.70 67.28 3ag3 h VAL 318 Cb 0.35 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3ag3 h VAL 318 CO 0.00 0.11 -0.49 0.11 0.02 0.00 0.00 177.57 177.32 3ag3 h LYS 319 N 0.60 0.73 -0.05 1.57 1.57 -0.97 -0.12 116.57 119.90 3ag3 h LYS 319 Ca 0.48 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3ag3 h LYS 319 Cb 0.70 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 3ag3 h LYS 319 CO -0.38 1.05 0.01 0.28 -0.57 0.00 0.00 179.45 179.85 3ag3 h VAL 320 N 0.58 1.18 -0.86 0.50 2.07 -0.68 0.13 116.25 119.18 3ag3 h VAL 320 Ca 0.03 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.03 3ag3 h VAL 320 Cb 1.06 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 3ag3 h VAL 320 CO 0.10 0.15 0.56 -0.26 0.02 0.00 0.00 177.57 178.14 3ag3 h PHE 321 N -0.12 1.06 -0.21 1.57 0.05 -0.99 -1.44 116.94 116.87 3ag3 h PHE 321 Ca 0.02 0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.79 3ag3 h PHE 321 Cb 0.22 -0.36 -0.01 0.00 2.00 0.00 0.00 35.95 37.80 3ag3 h PHE 321 CO -0.00 0.65 -0.06 0.77 -0.18 0.00 0.00 178.31 179.49 3ag3 h SER 322 N 1.13 0.30 -0.44 2.17 0.02 -0.61 0.69 113.55 116.81 3ag3 h SER 322 Ca 0.32 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 61.11 3ag3 h SER 322 Cb -0.08 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3ag3 h SER 322 CO -0.09 0.41 -0.18 -0.50 -1.14 0.00 0.00 176.83 175.33 3ag3 h TRP 323 N 0.31 1.03 -0.64 3.45 6.55 -0.37 -0.46 115.95 125.82 3ag3 h TRP 323 Ca 0.07 -0.24 -0.02 0.00 0.95 0.00 0.00 58.89 59.64 3ag3 h TRP 323 Cb 0.31 -0.24 -0.03 0.00 -0.86 0.00 0.00 29.16 28.33 3ag3 h TRP 323 CO 0.01 1.03 0.30 -0.07 -1.05 0.00 0.00 178.44 178.66 3ag3 h LEU 324 N 0.73 0.85 -1.65 -4.49 3.38 -0.92 -1.81 115.31 111.41 3ag3 h LEU 324 Ca 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ag3 h LEU 324 Cb 0.74 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3ag3 h LEU 324 CO 0.06 0.74 -0.03 0.00 0.09 0.00 0.00 178.44 179.30 3ag3 h ALA 325 N 1.14 1.02 0.02 1.53 0.00 -0.70 -1.56 119.26 120.70 3ag3 h ALA 325 Ca 0.22 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.86 3ag3 h ALA 325 Cb 0.13 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ag3 h ALA 325 CO -0.03 0.03 -1.02 1.15 0.00 0.00 0.00 179.25 179.39 3ag3 h THR 326 N 0.00 1.35 -0.37 0.00 2.02 -0.29 -3.19 112.91 112.44 3ag3 h THR 326 Ca -0.00 -2.39 -0.08 0.00 0.77 0.00 0.00 66.41 64.70 3ag3 h THR 326 Cb 0.46 2.45 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 3ag3 h THR 326 CO 0.00 0.73 -0.11 -0.07 0.37 0.00 0.00 175.52 176.44 3ag3 h LEU 327 N 0.29 0.62 -9.22 2.58 3.38 -0.93 -3.41 115.31 108.62 3ag3 h LEU 327 Ca -0.11 -0.17 -0.66 0.00 0.09 0.00 0.00 57.88 57.03 3ag3 h LEU 327 Cb 1.67 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 42.27 3ag3 h LEU 327 CO 0.19 0.76 1.05 1.57 0.09 0.00 0.00 178.44 182.10 3ag3 n HIS 328 N -4.19 2.24 -0.99 1.13 -0.00 -0.63 -0.75 115.22 112.03 3ag3 n HIS 328 Ca 0.01 0.16 0.00 0.00 0.46 0.00 0.00 57.72 58.35 3ag3 n HIS 328 Cb 0.34 -2.60 0.00 0.00 -0.12 0.00 0.00 29.99 27.61 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 4.39 0.63 3.86 1.57 0.00 -1.26 -4.99 105.19 109.39 3ag3 n GLY 329 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 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 1.94 -0.89 -0.02 0.00 0.07 -4.98 107.32 101.44 3ag3 s GLY 330 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 44.72 44.49 3ag3 s GLY 330 CO 0.00 0.23 1.26 0.21 0.00 0.00 0.00 173.10 174.80 3ag3 s ASN 331 N -3.31 6.43 -0.07 1.64 2.47 -0.90 -5.00 114.94 116.19 3ag3 s ASN 331 Ca 0.55 -1.38 -0.30 0.00 0.42 0.00 0.00 52.86 52.16 3ag3 s ASN 331 Cb -0.10 -2.50 -0.03 0.00 -1.45 0.00 0.00 41.25 37.17 3ag3 s ASN 331 CO 0.35 -1.43 1.31 -0.63 -3.72 0.00 0.00 177.10 172.98 3ag3 s ILE 332 N 4.32 4.06 -0.30 -5.21 -1.09 -1.26 -3.92 121.20 117.79 3ag3 s ILE 332 Ca 0.37 1.36 -0.15 0.00 -2.23 0.00 0.00 60.65 60.00 3ag3 s ILE 332 Cb -0.05 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.92 3ag3 s ILE 332 CO -0.03 -0.05 0.35 -0.75 -1.23 0.00 0.00 174.94 173.23 3ag3 s LYS 333 N 2.81 3.82 -1.49 2.79 2.47 0.16 -5.01 119.74 125.29 3ag3 s LYS 333 Ca 0.59 -0.19 -0.08 0.00 -1.56 0.00 0.00 55.97 54.73 3ag3 s LYS 333 Cb -0.26 -3.72 0.00 0.00 -1.46 0.00 0.00 37.83 32.39 3ag3 s LYS 333 CO 0.22 -0.37 2.70 0.91 0.16 0.00 0.00 175.35 178.97 3ag3 n TRP 334 N 5.33 2.52 -1.91 4.03 7.02 -1.26 -4.73 117.44 128.43 3ag3 n TRP 334 Ca -0.09 -2.98 -0.30 0.00 -1.02 0.00 0.00 57.50 53.11 3ag3 n TRP 334 Cb 0.50 -2.21 0.04 0.00 -2.42 0.00 0.00 31.31 27.22 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 1.40 5.61 0.30 -0.99 1.04 -1.26 -4.89 113.70 114.90 3ag3 s SER 335 Ca 0.63 1.16 -0.01 0.00 0.48 0.00 0.00 55.95 58.21 3ag3 s SER 335 Cb 0.18 -2.02 0.48 0.00 0.10 0.00 0.00 66.02 64.76 3ag3 s SER 335 CO -0.07 -1.23 1.94 -0.65 0.98 0.00 0.00 173.24 174.20 3ag3 h PRO 336 N -0.56 1.05 -0.48 4.02 0.11 -1.92 -2.11 132.00 132.11 3ag3 h PRO 336 Ca -0.45 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3ag3 h PRO 336 Cb 1.24 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 3ag3 h PRO 336 CO 0.63 0.70 0.16 0.00 -0.21 0.00 0.00 178.00 179.28 3ag3 h ALA 337 N 1.49 1.40 -0.74 -0.75 0.00 -1.92 -2.09 119.26 116.65 3ag3 h ALA 337 Ca 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3ag3 h ALA 337 Cb 0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3ag3 h ALA 337 CO -0.11 0.45 0.42 1.98 0.00 0.00 0.00 179.25 181.99 3ag3 h MET 338 N 0.68 1.02 -0.79 0.00 -1.53 -1.69 -1.44 114.93 111.19 3ag3 h MET 338 Ca 0.16 -0.11 0.03 0.00 -3.44 0.00 0.00 59.70 56.34 3ag3 h MET 338 Cb 0.18 -0.21 -0.05 0.00 -0.55 0.00 0.00 31.60 30.98 3ag3 h MET 338 CO -0.01 0.75 0.51 0.52 0.14 0.00 0.00 176.91 178.81 3ag3 h MET 339 N 1.02 0.97 -0.43 0.39 2.86 -0.97 0.23 114.93 119.00 3ag3 h MET 339 Ca 0.26 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.74 3ag3 h MET 339 Cb 0.01 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 3ag3 h MET 339 CO -0.04 0.64 -0.14 -1.49 1.06 0.00 0.00 176.91 176.94 3ag3 h TRP 340 N 1.00 0.88 -0.03 -0.22 4.06 -1.09 0.14 115.95 120.68 3ag3 h TRP 340 Ca 0.31 -0.17 -0.17 0.00 2.06 0.00 0.00 58.89 60.92 3ag3 h TRP 340 Cb -0.02 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 27.91 3ag3 h TRP 340 CO -0.03 0.88 -0.73 0.00 -3.56 0.00 0.00 178.44 175.00 3ag3 h ALA 341 N 1.13 0.71 -0.01 1.49 0.00 -0.65 0.39 119.26 122.32 3ag3 h ALA 341 Ca 0.11 -0.63 -0.24 0.00 0.00 0.00 0.00 54.91 54.15 3ag3 h ALA 341 Cb 0.63 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3ag3 h ALA 341 CO 0.04 0.83 -0.98 -0.07 0.00 0.00 0.00 179.25 179.07 3ag3 h LEU 342 N 0.13 0.72 -0.56 0.00 3.38 -0.59 -1.02 115.31 117.36 3ag3 h LEU 342 Ca -0.02 -0.57 0.05 0.00 0.09 0.00 0.00 57.88 57.43 3ag3 h LEU 342 Cb 1.29 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 3ag3 h LEU 342 CO 0.11 1.37 0.30 1.23 0.09 0.00 0.00 178.44 181.53 3ag3 h GLY 343 N 0.84 0.80 0.15 0.83 0.00 -0.59 -2.65 103.07 102.46 3ag3 h GLY 343 Ca -0.10 -0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.08 3ag3 h GLY 343 CO 0.18 0.13 -0.30 -2.75 0.00 0.00 0.00 176.54 173.80 3ag3 h PHE 344 N 0.56 -0.82 -0.95 5.60 3.04 -0.66 -0.80 116.94 122.91 3ag3 h PHE 344 Ca 0.25 0.04 0.06 0.00 3.98 0.00 0.00 57.97 62.30 3ag3 h PHE 344 Cb 0.15 0.38 -0.06 0.00 2.56 0.00 0.00 35.95 38.98 3ag3 h PHE 344 CO -0.09 -0.38 0.61 0.82 -2.02 0.00 0.00 178.31 177.25 3ag3 h ILE 345 N -0.35 1.08 -0.00 1.41 2.04 -0.87 0.10 117.51 120.92 3ag3 h ILE 345 Ca 0.11 -0.38 -0.14 0.00 1.00 0.00 0.00 64.86 65.45 3ag3 h ILE 345 Cb 0.52 -0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.48 3ag3 h ILE 345 CO -0.36 0.20 -0.53 0.15 0.00 0.00 0.00 178.15 177.61 3ag3 h PHE 346 N 1.11 0.53 0.07 1.37 3.57 -1.27 -2.58 116.94 119.74 3ag3 h PHE 346 Ca 0.41 -0.29 -0.24 0.00 3.53 0.00 0.00 57.97 61.38 3ag3 h PHE 346 Cb 0.16 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3ag3 h PHE 346 CO -0.01 1.10 -1.09 -0.07 -2.23 0.00 0.00 178.31 176.01 3ag3 h LEU 347 N -0.19 0.32 -0.76 0.59 3.38 -0.87 -1.82 115.31 115.96 3ag3 h LEU 347 Ca -0.06 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 3ag3 h LEU 347 Cb 1.25 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.86 3ag3 h LEU 347 CO 0.10 1.21 0.35 0.15 0.09 0.00 0.00 178.44 180.34 3ag3 h PHE 348 N 0.08 1.11 -0.39 1.13 3.04 -0.91 -1.87 116.94 119.14 3ag3 h PHE 348 Ca -0.09 -0.06 -0.02 0.00 3.98 0.00 0.00 57.97 61.78 3ag3 h PHE 348 Cb 1.80 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 39.95 3ag3 h PHE 348 CO 0.04 0.83 0.15 1.15 -2.02 0.00 0.00 178.31 178.47 3ag3 h THR 349 N 1.08 1.19 -0.18 4.41 2.02 -1.01 0.22 112.91 120.64 3ag3 h THR 349 Ca 0.26 -0.60 0.04 0.00 0.77 0.00 0.00 66.41 66.89 3ag3 h THR 349 Cb 0.15 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 3ag3 h THR 349 CO -0.03 0.21 -0.09 0.58 0.37 0.00 0.00 175.52 176.57 3ag3 h VAL 350 N 0.48 0.72 -0.47 3.16 2.07 -1.17 -0.81 116.25 120.23 3ag3 h VAL 350 Ca 0.13 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.58 3ag3 h VAL 350 Cb 0.19 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3ag3 h VAL 350 CO -0.01 0.00 0.04 1.23 0.02 0.00 0.00 177.57 178.85 3ag3 h GLY 351 N -0.07 0.87 1.72 2.17 0.00 -1.14 -1.68 103.07 104.95 3ag3 h GLY 351 Ca 0.10 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 3ag3 h GLY 351 CO -0.22 0.56 0.14 -1.33 0.00 0.00 0.00 176.54 175.70 3ag3 h GLY 352 N 0.67 0.39 1.27 4.60 0.00 -0.25 -1.48 103.07 108.27 3ag3 h GLY 352 Ca 0.14 -0.16 -0.19 0.00 0.00 0.00 0.00 47.33 47.12 3ag3 h GLY 352 CO 0.02 0.15 -0.64 1.41 0.00 0.00 0.00 176.54 177.48 3ag3 h LEU 353 N 0.37 0.85 -1.18 3.11 3.38 -0.54 -1.71 115.31 119.58 3ag3 h LEU 353 Ca 0.10 -0.50 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 3ag3 h LEU 353 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3ag3 h LEU 353 CO -0.02 1.28 -0.25 0.71 0.09 0.00 0.00 178.44 180.25 3ag3 h THR 354 N 0.54 0.66 -0.58 0.22 1.35 -1.04 -1.91 112.91 112.15 3ag3 h THR 354 Ca -0.01 -1.15 -0.03 0.00 -0.55 0.00 0.00 66.41 64.67 3ag3 h THR 354 Cb 1.25 1.75 -0.03 0.00 -1.73 0.00 0.00 68.15 69.39 3ag3 h THR 354 CO 0.13 0.25 0.26 1.23 -0.25 0.00 0.00 175.52 177.14 3ag3 h GLY 355 N 1.87 0.91 1.18 5.82 0.00 -0.73 -1.35 103.07 110.77 3ag3 h GLY 355 Ca -0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 3ag3 h GLY 355 CO 0.03 0.45 0.23 -2.22 0.00 0.00 0.00 176.54 175.03 3ag3 h ILE 356 N 0.79 1.24 -0.18 2.60 1.08 -0.57 -0.76 117.51 121.72 3ag3 h ILE 356 Ca 0.20 -0.82 0.03 0.00 -0.39 0.00 0.00 64.86 63.87 3ag3 h ILE 356 Cb 0.15 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.35 3ag3 h ILE 356 CO -0.02 0.32 0.01 0.58 -0.69 0.00 0.00 178.15 178.36 3ag3 h VAL 357 N 1.00 0.89 0.00 1.67 2.07 -1.22 -2.80 116.25 117.87 3ag3 h VAL 357 Ca 0.22 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 3ag3 h VAL 357 Cb 0.26 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3ag3 h VAL 357 CO -0.01 0.01 -0.09 -0.07 0.02 0.00 0.00 177.57 177.43 3ag3 h LEU 358 N 0.08 0.00 -2.17 2.57 3.38 -0.61 -2.49 115.31 116.07 3ag3 h LEU 358 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 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 0.09 -0.06 0.00 0.09 0.00 0.00 178.44 178.43 3ag3 h ALA 359 N 1.91 1.24 -1.25 1.53 0.00 -0.88 -3.39 119.26 118.43 3ag3 h ALA 359 Ca -0.00 -0.06 -0.50 0.00 0.00 0.00 0.00 54.91 54.35 3ag3 h ALA 359 Cb 0.32 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3ag3 h ALA 359 CO 0.01 0.08 1.18 -0.80 0.00 0.00 0.00 179.25 179.72 3ag3 s ASN 360 N -5.91 5.80 0.43 0.00 0.01 -0.94 -4.21 114.94 110.12 3ag3 s ASN 360 Ca -0.03 -0.45 0.17 0.00 -0.71 0.00 0.00 52.86 51.84 3ag3 s ASN 360 Cb 0.13 -2.55 1.08 0.00 0.41 0.00 0.00 41.25 40.32 3ag3 s ASN 360 CO 0.54 -2.08 1.91 0.77 -1.51 0.00 0.00 177.10 176.73 3ag3 h SER 361 N 11.64 0.37 -0.73 -1.22 4.64 -1.87 0.74 113.55 127.12 3ag3 h SER 361 Ca -0.12 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.17 3ag3 h SER 361 Cb 1.07 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 3ag3 h SER 361 CO 1.28 0.18 0.24 0.28 -0.87 0.00 0.00 176.83 177.94 3ag3 h SER 362 N 0.38 1.06 0.29 4.97 0.02 -1.93 -0.85 113.55 117.49 3ag3 h SER 362 Ca 0.38 -0.20 -0.17 0.00 -0.84 0.00 0.00 61.79 60.96 3ag3 h SER 362 Cb 0.93 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3ag3 h SER 362 CO -0.12 0.98 -0.68 -0.07 -1.14 0.00 0.00 176.83 175.79 3ag3 h LEU 363 N 1.08 0.42 -2.02 5.07 3.38 -1.51 -3.16 115.31 118.56 3ag3 h LEU 363 Ca 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ag3 h LEU 363 Cb 0.29 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3ag3 h LEU 363 CO -0.01 0.98 -0.04 -0.78 0.09 0.00 0.00 178.44 178.68 3ag3 h ASP 364 N 0.25 0.00 -0.89 -0.43 1.82 -0.23 -1.94 116.42 115.00 3ag3 h ASP 364 Ca -0.02 0.00 0.17 0.00 -0.39 0.00 0.00 57.03 56.79 3ag3 h ASP 364 Cb 1.24 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 41.14 3ag3 h ASP 364 CO 0.11 0.04 0.46 0.40 -1.61 0.00 0.00 179.24 178.64 3ag3 h ILE 365 N 0.00 0.66 0.01 2.25 1.08 -1.14 0.47 117.51 120.84 3ag3 h ILE 365 Ca -0.00 -0.20 -0.21 0.00 -0.39 0.00 0.00 64.86 64.05 3ag3 h ILE 365 Cb 0.07 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 33.81 3ag3 h ILE 365 CO 0.00 0.11 -1.00 0.58 -0.69 0.00 0.00 178.15 177.15 3ag3 h VAL 366 N 0.60 1.68 0.00 1.67 2.07 -1.58 -3.34 116.25 117.35 3ag3 h VAL 366 Ca 0.51 -3.32 -0.02 0.00 0.82 0.00 0.00 66.70 64.69 3ag3 h VAL 366 Cb 0.79 2.82 -0.00 0.00 -1.52 0.00 0.00 31.29 33.38 3ag3 h VAL 366 CO -0.40 0.95 -1.67 0.18 0.02 0.00 0.00 177.57 176.65 3ag3 n LEU 367 N -3.39 0.30 -4.76 2.57 4.77 -0.79 -4.86 117.00 110.84 3ag3 n LEU 367 Ca -0.01 0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.68 3ag3 n LEU 367 Cb 0.93 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.01 3ag3 n LEU 367 CO 0.47 -0.04 1.11 1.57 -1.33 0.00 0.00 177.39 179.17 3ag3 n HIS 368 N -2.43 2.87 -2.38 -1.77 -0.00 0.16 -2.45 115.22 109.22 3ag3 n HIS 368 Ca -0.04 0.45 -0.21 0.00 0.46 0.00 0.00 57.72 58.38 3ag3 n HIS 368 Cb 0.59 -2.52 -0.01 0.00 -0.12 0.00 0.00 29.99 27.93 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 0.63 -5.92 -4.51 0.26 9.92 -1.26 -4.97 116.55 110.70 3ag3 n ASP 369 Ca 0.02 -0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 54.03 3ag3 n ASP 369 Cb 0.38 -4.94 -0.10 0.00 -0.64 0.00 0.00 41.12 35.82 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 -3.04 1.43 -1.62 -3.53 -4.23 -1.03 -1.16 115.64 102.46 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 -2.80 0.23 0.00 1.34 0.00 0.00 72.50 71.26 3ag3 s THR 370 CO 0.00 0.00 1.18 -1.22 -0.54 0.00 0.00 174.62 174.04 3ag3 n TYR 371 N -0.83 0.00 0.14 3.99 4.01 -0.81 -1.72 117.16 121.93 3ag3 n TYR 371 Ca -0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.68 3ag3 n TYR 371 Cb 0.67 -0.19 0.19 0.00 -0.31 0.00 0.00 39.34 39.70 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 0.04 -0.20 -0.72 5.03 -1.80 0.96 116.97 120.28 3ag3 h TYR 372 Ca 0.00 -0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.16 3ag3 h TYR 372 Cb 0.06 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 38.34 3ag3 h TYR 372 CO 0.00 0.60 -0.42 0.28 -1.32 0.00 0.00 178.16 177.30 3ag3 h VAL 373 N 0.02 1.32 -0.83 1.81 2.07 -1.53 -0.32 116.25 118.80 3ag3 h VAL 373 Ca -0.01 -1.65 -0.03 0.00 0.82 0.00 0.00 66.70 65.84 3ag3 h VAL 373 Cb 1.03 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.62 3ag3 h VAL 373 CO 0.08 0.51 0.41 0.58 0.02 0.00 0.00 177.57 179.17 3ag3 h VAL 374 N 0.33 1.25 -0.59 2.57 2.07 -1.50 -1.68 116.25 118.71 3ag3 h VAL 374 Ca 0.01 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 3ag3 h VAL 374 Cb 1.02 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3ag3 h VAL 374 CO 0.09 0.30 0.08 0.00 0.02 0.00 0.00 177.57 178.06 3ag3 h ALA 375 N 1.27 0.78 -0.15 1.67 0.00 -0.59 -1.50 119.26 120.75 3ag3 h ALA 375 Ca 0.29 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ag3 h ALA 375 Cb 0.10 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 3ag3 h ALA 375 CO -0.04 0.55 -0.55 1.25 0.00 0.00 0.00 179.25 180.46 3ag3 h HIS 376 N 0.88 -1.63 0.00 0.00 6.17 -0.31 -2.14 115.15 118.12 3ag3 h HIS 376 Ca 0.18 0.06 -0.03 0.00 0.71 0.00 0.00 60.37 61.29 3ag3 h HIS 376 Cb 0.44 0.73 -0.00 0.00 2.52 0.00 0.00 27.41 31.10 3ag3 h HIS 376 CO 0.03 -0.55 -0.16 0.27 0.71 0.00 0.00 177.93 178.24 3ag3 h PHE 377 N -0.57 0.00 0.00 5.26 -0.00 -1.30 -2.38 116.94 117.95 3ag3 h PHE 377 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.95 3ag3 h PHE 377 Cb 0.68 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.62 3ag3 h PHE 377 CO -0.60 0.16 -0.25 0.45 -0.00 0.00 0.00 178.31 178.07 3ag3 h HIS 378 N 0.00 0.00 -0.06 6.09 3.86 -1.23 0.36 115.15 124.18 3ag3 h HIS 378 Ca -0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 3ag3 h HIS 378 Cb 1.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.48 3ag3 h HIS 378 CO 0.00 0.25 -0.34 1.88 0.86 0.00 0.00 177.93 180.58 3ag3 h TYR 379 N 0.00 0.45 0.00 2.45 -1.99 -1.19 0.10 116.97 116.80 3ag3 h TYR 379 Ca -0.00 -0.20 -0.07 0.00 2.00 0.00 0.00 58.73 60.45 3ag3 h TYR 379 Cb 0.97 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 39.62 3ag3 h TYR 379 CO 0.00 0.95 -0.36 -0.39 -0.00 0.00 0.00 178.16 178.37 3ag3 h VAL 380 N -0.17 1.14 0.00 -2.88 -1.51 -1.29 -2.22 116.25 109.32 3ag3 h VAL 380 Ca -0.03 -1.27 -0.41 0.00 -1.23 0.00 0.00 66.70 63.76 3ag3 h VAL 380 Cb 1.00 1.70 -0.07 0.00 -2.13 0.00 0.00 31.29 31.79 3ag3 h VAL 380 CO 0.07 0.35 -2.47 0.18 -1.23 0.00 0.00 177.57 174.47 3ag3 n LEU 381 N -3.95 2.61 0.11 4.19 4.77 0.13 -1.96 117.00 122.88 3ag3 n LEU 381 Ca -0.02 0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.12 3ag3 n LEU 381 Cb 0.41 -0.89 0.02 0.00 -2.33 0.00 0.00 43.42 40.64 3ag3 n LEU 381 CO 0.38 0.80 0.09 -1.28 -1.33 0.00 0.00 177.39 176.05 3ag3 h SER 382 N -0.35 0.00 -0.00 -1.43 0.87 -1.13 -1.44 113.55 110.06 3ag3 h SER 382 Ca -0.62 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 3ag3 h SER 382 Cb 1.80 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.76 3ag3 h SER 382 CO -0.20 0.01 -0.12 0.23 -0.53 0.00 0.00 176.83 176.22 3ag3 n MET 383 N -2.64 2.35 0.00 2.24 2.81 -0.94 -4.31 117.12 116.63 3ag3 n MET 383 Ca 0.01 -0.46 0.00 0.00 -1.81 0.00 0.00 57.70 55.43 3ag3 n MET 383 Cb 0.54 -0.95 0.00 0.00 -0.71 0.00 0.00 33.22 32.10 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 0.72 -0.33 0.15 3.03 0.00 -0.85 -4.28 105.19 103.62 3ag3 n GLY 384 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.54 0.40 -0.27 4.61 0.00 -0.68 -1.21 119.26 120.57 3ag3 h ALA 385 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3ag3 h ALA 385 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3ag3 h ALA 385 CO 0.00 -0.17 -0.34 0.28 0.00 0.00 0.00 179.25 179.02 3ag3 h VAL 386 N 0.39 1.29 -0.06 0.00 2.07 -1.48 0.14 116.25 118.59 3ag3 h VAL 386 Ca 0.12 -1.47 -0.18 0.00 0.82 0.00 0.00 66.70 65.99 3ag3 h VAL 386 Cb -0.01 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3ag3 h VAL 386 CO -0.05 0.47 -0.75 -0.26 0.02 0.00 0.00 177.57 176.99 3ag3 h PHE 387 N 0.51 0.47 -0.48 1.57 0.05 -1.65 0.16 116.94 117.57 3ag3 h PHE 387 Ca 0.06 -0.21 -0.12 0.00 3.82 0.00 0.00 57.97 61.51 3ag3 h PHE 387 Cb 0.83 -0.07 -0.02 0.00 2.00 0.00 0.00 35.95 38.69 3ag3 h PHE 387 CO 0.03 0.97 -0.16 0.00 -0.18 0.00 0.00 178.31 178.97 3ag3 h ALA 388 N 0.97 0.80 0.13 2.45 0.00 -1.05 -0.31 119.26 122.26 3ag3 h ALA 388 Ca -0.03 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.52 3ag3 h ALA 388 Cb 1.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3ag3 h ALA 388 CO 0.12 0.66 -0.18 0.82 0.00 0.00 0.00 179.25 180.67 3ag3 h ILE 389 N 0.82 0.59 -0.67 0.00 2.04 -0.77 -0.10 117.51 119.43 3ag3 h ILE 389 Ca 0.12 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 3ag3 h ILE 389 Cb 0.71 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3ag3 h ILE 389 CO 0.05 0.00 0.35 0.24 0.00 0.00 0.00 178.15 178.79 3ag3 h MET 390 N -0.37 0.93 -0.20 2.37 2.86 -0.63 0.20 114.93 120.09 3ag3 h MET 390 Ca 0.02 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 3ag3 h MET 390 Cb 0.37 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3ag3 h MET 390 CO -0.08 0.70 -0.06 0.78 1.06 0.00 0.00 176.91 179.31 3ag3 h GLY 391 N 1.00 0.43 0.28 8.32 0.00 -0.86 -0.35 103.07 111.88 3ag3 h GLY 391 Ca 0.24 -0.37 0.09 0.00 0.00 0.00 0.00 47.33 47.29 3ag3 h GLY 391 CO -0.04 0.34 0.09 -1.33 0.00 0.00 0.00 176.54 175.60 3ag3 h GLY 392 N 0.11 0.64 0.78 4.60 0.00 -0.79 -0.51 103.07 107.90 3ag3 h GLY 392 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 3ag3 h GLY 392 CO 0.02 -0.09 -0.10 -2.75 0.00 0.00 0.00 176.54 173.62 3ag3 h PHE 393 N 0.22 0.44 -0.20 5.60 3.57 -0.33 -0.40 116.94 125.84 3ag3 h PHE 393 Ca 0.27 -0.11 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 3ag3 h PHE 393 Cb 0.38 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3ag3 h PHE 393 CO -0.25 0.70 -0.50 -0.39 -2.23 0.00 0.00 178.31 175.65 3ag3 h VAL 394 N 0.05 1.31 -0.44 1.41 -1.51 -0.98 0.12 116.25 116.21 3ag3 h VAL 394 Ca 0.04 -1.72 0.04 0.00 -1.23 0.00 0.00 66.70 63.83 3ag3 h VAL 394 Cb 0.59 1.70 -0.04 0.00 -2.13 0.00 0.00 31.29 31.41 3ag3 h VAL 394 CO 0.03 0.54 0.21 -0.74 -1.23 0.00 0.00 177.57 176.38 3ag3 h HIS 395 N 0.43 0.39 -0.01 5.19 -0.00 -0.92 -3.24 115.15 116.99 3ag3 h HIS 395 Ca 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3ag3 h HIS 395 Cb 1.02 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 28.32 3ag3 h HIS 395 CO 0.04 0.19 -0.26 0.91 -0.00 0.00 0.00 177.93 178.81 3ag3 n TRP 396 N -4.92 0.00 -0.33 5.26 8.01 -0.17 -4.45 117.44 120.83 3ag3 n TRP 396 Ca 0.03 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.26 3ag3 n TRP 396 Cb 0.12 0.00 0.22 0.00 -2.01 0.00 0.00 31.31 29.64 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 1.75 1.11 0.00 -5.99 3.04 -0.79 0.23 116.94 116.29 3ag3 h PHE 397 Ca 0.00 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 3ag3 h PHE 397 Cb 0.50 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 3ag3 h PHE 397 CO 0.00 0.56 -0.23 -1.35 -2.02 0.00 0.00 178.31 175.27 3ag3 h PRO 398 N 1.07 0.00 -0.11 6.41 0.11 -1.78 0.17 132.00 137.87 3ag3 h PRO 398 Ca 0.42 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.45 3ag3 h PRO 398 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3ag3 h PRO 398 CO -0.17 0.23 -0.25 1.25 -0.21 0.00 0.00 178.00 178.85 3ag3 h LEU 399 N 0.00 0.41 -0.12 2.35 5.85 -1.29 0.24 115.31 122.74 3ag3 h LEU 399 Ca -0.00 -0.58 -0.20 0.00 0.84 0.00 0.00 57.88 57.94 3ag3 h LEU 399 Cb 0.61 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3ag3 h LEU 399 CO 0.03 0.91 -0.95 -0.26 -0.34 0.00 0.00 178.44 177.83 3ag3 h PHE 400 N -0.08 0.04 0.00 1.25 0.04 -0.86 -3.34 116.94 113.98 3ag3 h PHE 400 Ca -0.00 -0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.60 3ag3 h PHE 400 Cb 0.85 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.97 3ag3 h PHE 400 CO 0.11 0.95 -1.91 -1.13 -0.60 0.00 0.00 178.31 175.73 3ag3 n SER 401 N -3.44 1.19 0.00 2.17 3.41 0.55 -4.69 113.62 112.82 3ag3 n SER 401 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3ag3 n SER 401 Cb 0.89 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 66.15 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 1.81 1.02 3.44 5.00 0.00 0.83 -4.47 105.19 112.82 3ag3 n GLY 402 Ca -0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.32 2.35 0.17 1.61 2.02 -1.25 -1.84 117.35 117.09 3ag3 s TYR 403 Ca 0.00 -0.34 -0.05 0.00 -0.37 0.00 0.00 57.07 56.31 3ag3 s TYR 403 Cb 0.00 -1.18 -0.06 0.00 -0.40 0.00 0.00 41.96 40.32 3ag3 s TYR 403 CO 0.00 0.48 0.41 0.95 -1.57 0.00 0.00 175.55 175.82 3ag3 s THR 404 N -1.57 5.13 0.61 -0.71 -4.23 -0.49 -3.80 115.64 110.58 3ag3 s THR 404 Ca 0.20 0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.66 3ag3 s THR 404 Cb -0.08 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.08 3ag3 s THR 404 CO 0.10 -0.01 1.03 -0.76 -0.54 0.00 0.00 174.62 174.43 3ag3 s LEU 405 N -2.78 3.29 -0.25 4.79 1.43 -1.26 -4.68 118.68 119.22 3ag3 s LEU 405 Ca 0.42 1.49 -0.29 0.00 -1.03 0.00 0.00 54.13 54.71 3ag3 s LEU 405 Cb -0.12 -4.48 -0.01 0.00 0.03 0.00 0.00 46.19 41.61 3ag3 s LEU 405 CO 0.25 -0.91 1.31 0.21 0.23 0.00 0.00 176.35 177.43 3ag3 s ASN 406 N -3.89 6.75 0.27 2.29 3.84 -1.26 -4.92 114.94 118.02 3ag3 s ASN 406 Ca 0.56 1.41 0.10 0.00 0.21 0.00 0.00 52.86 55.14 3ag3 s ASN 406 Cb -0.11 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.40 3ag3 s ASN 406 CO 0.50 -0.98 1.61 0.44 -2.79 0.00 0.00 177.10 175.88 3ag3 h ASP 407 N 8.99 0.03 -0.52 -4.21 3.45 -1.99 -1.72 116.42 120.46 3ag3 h ASP 407 Ca -0.27 -0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.10 3ag3 h ASP 407 Cb 1.10 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.84 3ag3 h ASP 407 CO 1.01 0.63 0.02 0.74 -1.57 0.00 0.00 179.24 180.07 3ag3 h THR 408 N 0.02 1.26 -0.21 0.35 2.02 -2.00 -0.61 112.91 113.75 3ag3 h THR 408 Ca -0.01 -1.06 -0.10 0.00 0.77 0.00 0.00 66.41 66.02 3ag3 h THR 408 Cb 1.08 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3ag3 h THR 408 CO 0.08 0.37 -0.28 -0.50 0.37 0.00 0.00 175.52 175.56 3ag3 h TRP 409 N 0.77 0.46 -0.21 3.16 -0.00 -1.91 -1.03 115.95 117.19 3ag3 h TRP 409 Ca 0.15 -0.10 -0.12 0.00 -0.00 0.00 0.00 58.89 58.82 3ag3 h TRP 409 Cb 0.49 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 29.53 3ag3 h TRP 409 CO 0.04 0.66 -0.37 0.00 -0.00 0.00 0.00 178.44 178.76 3ag3 h ALA 410 N 1.34 0.96 -0.57 1.49 0.00 -1.01 -1.18 119.26 120.30 3ag3 h ALA 410 Ca 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3ag3 h ALA 410 Cb 0.68 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3ag3 h ALA 410 CO 0.05 0.61 0.29 0.87 0.00 0.00 0.00 179.25 181.08 3ag3 h LYS 411 N 0.40 0.81 -0.44 0.00 1.57 -0.44 -1.67 116.57 116.80 3ag3 h LYS 411 Ca 0.04 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3ag3 h LYS 411 Cb 0.83 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 3ag3 h LYS 411 CO 0.07 0.65 0.27 0.82 -0.57 0.00 0.00 179.45 180.69 3ag3 h ILE 412 N 0.77 1.08 0.31 1.86 2.04 -0.80 -1.40 117.51 121.37 3ag3 h ILE 412 Ca 0.20 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3ag3 h ILE 412 Cb 0.09 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3ag3 h ILE 412 CO -0.03 0.10 -0.24 -0.74 0.00 0.00 0.00 178.15 177.24 3ag3 h HIS 413 N 0.55 -0.64 -0.76 1.37 2.76 -1.05 -1.06 115.15 116.32 3ag3 h HIS 413 Ca 0.17 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.47 3ag3 h HIS 413 Cb -0.03 0.24 -0.14 0.00 1.55 0.00 0.00 27.41 29.04 3ag3 h HIS 413 CO -0.06 -0.37 -0.30 0.35 -1.30 0.00 0.00 177.93 176.25 3ag3 h PHE 414 N -0.56 -0.80 -0.51 5.26 3.57 -1.19 -0.46 116.94 122.25 3ag3 h PHE 414 Ca -0.02 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3ag3 h PHE 414 Cb 0.49 0.47 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 3ag3 h PHE 414 CO -0.13 -0.38 0.19 0.00 -2.23 0.00 0.00 178.31 175.76 3ag3 h ALA 415 N 1.35 0.67 -0.17 2.41 0.00 -0.55 0.17 119.26 123.14 3ag3 h ALA 415 Ca 0.31 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ag3 h ALA 415 Cb 0.57 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ag3 h ALA 415 CO -0.80 0.30 -0.07 0.82 0.00 0.00 0.00 179.25 179.49 3ag3 h ILE 416 N 0.70 1.31 -0.79 0.00 2.04 -0.94 -2.12 117.51 117.70 3ag3 h ILE 416 Ca 0.17 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 64.97 3ag3 h ILE 416 Cb 0.23 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 3ag3 h ILE 416 CO -0.01 0.33 0.49 -0.03 0.00 0.00 0.00 178.15 178.93 3ag3 h MET 417 N 0.04 0.91 -0.38 2.37 4.05 -0.66 -0.63 114.93 120.63 3ag3 h MET 417 Ca 0.04 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3ag3 h MET 417 Cb 0.54 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 3ag3 h MET 417 CO 0.02 0.60 0.20 0.35 0.23 0.00 0.00 176.91 178.32 3ag3 h PHE 418 N 0.94 0.52 -0.06 1.39 3.57 -0.50 -0.62 116.94 122.18 3ag3 h PHE 418 Ca 0.33 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 3ag3 h PHE 418 Cb 0.08 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 3ag3 h PHE 418 CO -0.04 0.41 0.03 0.28 -2.23 0.00 0.00 178.31 176.77 3ag3 h VAL 419 N 0.48 1.07 0.14 1.41 2.07 -1.10 -2.84 116.25 117.48 3ag3 h VAL 419 Ca 0.13 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.48 3ag3 h VAL 419 Cb 0.07 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3ag3 h VAL 419 CO -0.02 0.06 -0.22 1.23 0.02 0.00 0.00 177.57 178.63 3ag3 h GLY 420 N 0.01 -0.43 1.18 2.17 0.00 -0.60 -0.30 103.07 105.11 3ag3 h GLY 420 Ca 0.02 0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 3ag3 h GLY 420 CO -0.00 -0.20 0.17 -0.39 0.00 0.00 0.00 176.54 176.11 3ag3 h VAL 421 N -0.43 1.25 -0.29 4.60 -1.51 -1.18 0.21 116.25 118.89 3ag3 h VAL 421 Ca 0.02 -0.91 -0.16 0.00 -1.23 0.00 0.00 66.70 64.43 3ag3 h VAL 421 Cb 0.44 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.16 3ag3 h VAL 421 CO -0.10 0.35 -0.44 0.78 -1.23 0.00 0.00 177.57 176.92 3ag3 h ASN 422 N 0.98 0.81 -0.54 4.19 2.35 -1.31 -0.79 115.58 121.26 3ag3 h ASN 422 Ca 0.21 -0.39 -0.07 0.00 -0.55 0.00 0.00 56.30 55.50 3ag3 h ASN 422 Cb 0.33 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3ag3 h ASN 422 CO -0.00 1.13 0.06 -0.03 -1.65 0.00 0.00 177.43 176.94 3ag3 h MET 423 N 0.60 0.95 0.03 0.81 4.05 -0.81 -0.42 114.93 120.14 3ag3 h MET 423 Ca 0.04 -0.25 -0.00 0.00 -0.28 0.00 0.00 59.70 59.21 3ag3 h MET 423 Cb 1.00 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.69 3ag3 h MET 423 CO 0.10 0.90 -0.01 1.15 0.23 0.00 0.00 176.91 179.27 3ag3 h THR 424 N 0.89 1.20 0.00 -0.77 2.02 -0.79 -3.37 112.91 112.10 3ag3 h THR 424 Ca 0.18 -0.74 -0.29 0.00 0.77 0.00 0.00 66.41 66.33 3ag3 h THR 424 Cb 0.44 1.70 -0.05 0.00 -1.74 0.00 0.00 68.15 68.49 3ag3 h THR 424 CO 0.01 0.19 -2.00 0.49 0.37 0.00 0.00 175.52 174.58 3ag3 n PHE 425 N -4.95 0.47 -0.35 3.16 3.01 -0.32 -4.44 117.46 114.04 3ag3 n PHE 425 Ca -0.08 0.17 -0.01 0.00 1.01 0.00 0.00 57.45 58.54 3ag3 n PHE 425 Cb 0.18 -1.04 0.13 0.00 -0.01 0.00 0.00 39.48 38.74 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 1.14 0.00 1.38 3.57 -1.26 -1.38 116.94 120.39 3ag3 h PHE 426 Ca -0.37 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.16 3ag3 h PHE 426 Cb 1.99 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 40.35 3ag3 h PHE 426 CO 0.00 0.66 0.00 -1.35 -2.23 0.00 0.00 178.31 175.39 3ag3 h PRO 427 N 1.19 0.00 0.00 6.41 0.11 -1.78 -2.53 132.00 135.40 3ag3 h PRO 427 Ca 0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.48 3ag3 h PRO 427 Cb -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 3ag3 h PRO 427 CO -0.12 0.00 -0.02 1.96 -0.21 0.00 0.00 178.00 179.61 3ag3 h GLN 428 N 0.00 0.00 -0.48 1.05 4.20 -1.46 -1.48 115.11 116.93 3ag3 h GLN 428 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 3ag3 h GLN 428 Cb 0.37 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 3ag3 h GLN 428 CO 0.00 0.02 0.32 0.45 -0.67 0.00 0.00 178.83 178.95 3ag3 h HIS 429 N 0.00 0.60 -0.49 2.96 3.86 -1.54 -0.40 115.15 120.14 3ag3 h HIS 429 Ca -0.00 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 3ag3 h HIS 429 Cb 0.06 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 3ag3 h HIS 429 CO 0.00 0.37 0.12 0.74 0.86 0.00 0.00 177.93 180.03 3ag3 h PHE 430 N 0.65 0.82 -0.75 2.45 0.04 -1.46 -0.52 116.94 118.16 3ag3 h PHE 430 Ca 0.18 -0.10 0.10 0.00 2.80 0.00 0.00 57.97 60.95 3ag3 h PHE 430 Cb -0.06 -0.23 -0.07 0.00 2.20 0.00 0.00 35.95 37.78 3ag3 h PHE 430 CO -0.04 0.73 0.39 -0.07 -0.60 0.00 0.00 178.31 178.72 3ag3 h LEU 431 N 0.67 0.52 -0.03 1.54 3.38 -1.35 -0.72 115.31 119.32 3ag3 h LEU 431 Ca 0.15 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3ag3 h LEU 431 Cb 0.32 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ag3 h LEU 431 CO 0.00 0.29 -0.02 1.23 0.09 0.00 0.00 178.44 180.03 3ag3 h GLY 432 N 0.65 0.08 1.57 0.83 0.00 -0.67 0.17 103.07 105.70 3ag3 h GLY 432 Ca 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 3ag3 h GLY 432 CO -0.27 0.06 0.24 1.41 0.00 0.00 0.00 176.54 177.98 3ag3 h LEU 433 N -0.33 0.51 -0.63 3.11 3.38 -0.97 -1.14 115.31 119.23 3ag3 h LEU 433 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ag3 h LEU 433 Cb 0.45 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3ag3 h LEU 433 CO 0.01 0.41 0.00 -1.54 0.09 0.00 0.00 178.44 177.40 3ag3 n SER 434 N -4.43 0.96 0.00 -0.43 3.41 -0.29 -4.90 113.62 107.94 3ag3 n SER 434 Ca 0.03 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 3ag3 n SER 434 Cb 0.09 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.02 0.94 3.68 5.00 0.00 -0.43 -5.05 105.19 110.35 3ag3 n GLY 435 Ca 0.17 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.24 4.29 0.64 1.61 0.00 0.53 -4.98 119.30 121.15 3ag3 s MET 436 Ca 0.00 1.86 -0.16 0.00 0.00 0.00 0.00 55.69 57.39 3ag3 s MET 436 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 34.83 31.22 3ag3 s MET 436 CO 0.00 -0.56 1.13 -2.14 0.00 0.00 0.00 175.02 173.45 3ag3 s PRO 437 N 2.50 2.84 0.76 4.11 0.02 -1.26 -1.92 135.00 142.06 3ag3 s PRO 437 Ca 0.61 1.48 -0.10 0.00 0.02 0.00 0.00 61.00 63.02 3ag3 s PRO 437 Cb -0.29 -1.95 0.07 0.00 0.02 0.00 0.00 34.50 32.35 3ag3 s PRO 437 CO 0.24 -1.23 1.11 -0.98 -0.33 0.00 0.00 177.00 175.81 3ag3 s ARG 438 N -3.90 2.09 -1.44 5.54 1.70 -0.31 -4.20 118.95 118.43 3ag3 s ARG 438 Ca 0.69 -0.04 0.00 0.00 -0.47 0.00 0.00 55.73 55.92 3ag3 s ARG 438 Cb -0.22 -2.05 0.00 0.00 -0.57 0.00 0.00 34.95 32.11 3ag3 s ARG 438 CO 0.39 -1.43 0.00 0.54 -1.08 0.00 0.00 175.30 173.72 3ag3 n ARG 439 N -3.14 -1.22 -4.00 3.89 1.74 -1.26 -4.91 116.66 107.75 3ag3 n ARG 439 Ca 0.08 0.84 -0.34 0.00 -0.77 0.00 0.00 57.85 57.66 3ag3 n ARG 439 Cb 0.61 -5.17 -0.06 0.00 -1.02 0.00 0.00 32.46 26.82 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 -2.74 3.44 -1.18 -1.55 4.12 -1.26 -5.01 117.35 113.17 3ag3 s TYR 440 Ca 0.00 0.33 0.25 0.00 0.02 0.00 0.00 57.07 57.68 3ag3 s TYR 440 Cb 0.00 -1.82 0.59 0.00 -1.52 0.00 0.00 41.96 39.21 3ag3 s TYR 440 CO 0.00 0.62 1.47 -1.13 0.02 0.00 0.00 175.55 176.53 3ag3 n SER 441 N 1.35 0.60 -3.60 2.29 3.41 -1.26 -4.95 113.62 111.46 3ag3 n SER 441 Ca -0.14 -0.38 -0.09 0.00 -0.26 0.00 0.00 58.87 58.00 3ag3 n SER 441 Cb 0.53 0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.66 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 -2.88 -0.39 0.03 4.04 3.68 -1.26 -4.62 116.67 115.27 3ag3 s ASP 442 Ca 0.14 -0.22 -0.00 0.00 2.13 0.00 0.00 52.55 54.60 3ag3 s ASP 442 Cb 0.18 0.58 -0.03 0.00 -1.45 0.00 0.00 42.92 42.20 3ag3 s ASP 442 CO 0.65 -1.00 -0.03 -0.72 0.13 0.00 0.00 175.17 174.20 3ag3 s TYR 443 N -3.62 0.37 0.55 -5.34 -0.85 -1.26 -5.06 117.35 102.14 3ag3 s TYR 443 Ca 0.06 -0.74 -0.20 0.00 -0.52 0.00 0.00 57.07 55.67 3ag3 s TYR 443 Cb -0.02 -0.27 -0.06 0.00 0.38 0.00 0.00 41.96 41.98 3ag3 s TYR 443 CO -0.05 -0.26 0.97 -2.30 -1.52 0.00 0.00 175.55 172.39 3ag3 n PRO 444 N 1.02 1.04 0.27 -3.49 -0.02 -1.26 -4.85 135.00 127.71 3ag3 n PRO 444 Ca -0.20 0.39 0.10 0.00 -2.02 0.00 0.00 63.50 61.77 3ag3 n PRO 444 Cb 0.57 -2.14 0.71 0.00 -0.02 0.00 0.00 33.50 32.63 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 0.79 0.00 -0.08 2.55 3.45 -2.03 -1.10 116.42 119.99 3ag3 h ASP 445 Ca -0.48 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.01 3ag3 h ASP 445 Cb 1.36 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.12 3ag3 h ASP 445 CO 0.52 0.03 0.07 0.00 -1.57 0.00 0.00 179.24 178.29 3ag3 h ALA 446 N 1.97 1.87 -0.10 3.45 0.00 -2.05 -1.60 119.26 122.80 3ag3 h ALA 446 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ag3 h ALA 446 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ag3 h ALA 446 CO 0.00 -0.11 0.00 0.66 0.00 0.00 0.00 179.25 179.80 3ag3 n TYR 447 N -4.19 0.14 0.02 0.00 4.01 -0.42 -4.47 117.16 112.25 3ag3 n TYR 447 Ca -0.01 -0.07 -0.12 0.00 -0.16 0.00 0.00 57.90 57.54 3ag3 n TYR 447 Cb 0.18 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.14 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 0.88 1.08 -0.44 -0.72 2.02 -1.45 -2.82 112.91 111.45 3ag3 h THR 448 Ca 0.00 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 66.96 3ag3 h THR 448 Cb 0.20 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3ag3 h THR 448 CO 0.00 0.07 0.28 -0.03 0.37 0.00 0.00 175.52 176.20 3ag3 h MET 449 N -0.04 0.55 -0.33 6.66 1.85 -1.84 -0.32 114.93 121.45 3ag3 h MET 449 Ca 0.01 -0.03 -0.15 0.00 -0.61 0.00 0.00 59.70 58.92 3ag3 h MET 449 Cb 0.09 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 31.99 3ag3 h MET 449 CO -0.00 0.36 -0.40 -1.49 -0.40 0.00 0.00 176.91 174.98 3ag3 h TRP 450 N 0.56 0.97 -0.91 1.39 -0.00 -1.89 -1.93 115.95 114.14 3ag3 h TRP 450 Ca 0.17 -0.29 0.01 0.00 -0.00 0.00 0.00 58.89 58.78 3ag3 h TRP 450 Cb -0.03 -0.20 -0.04 0.00 -0.00 0.00 0.00 29.16 28.88 3ag3 h TRP 450 CO -0.06 1.07 0.59 -0.91 -0.00 0.00 0.00 178.44 179.14 3ag3 h ASN 451 N 0.66 1.06 0.04 -3.49 2.35 -1.21 -0.77 115.58 114.22 3ag3 h ASN 451 Ca 0.05 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3ag3 h ASN 451 Cb 0.96 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.07 3ag3 h ASN 451 CO 0.09 0.77 -0.02 0.74 -1.65 0.00 0.00 177.43 177.36 3ag3 h THR 452 N 1.24 1.09 -0.20 2.81 2.02 -0.79 -1.04 112.91 118.04 3ag3 h THR 452 Ca 0.33 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 67.04 3ag3 h THR 452 Cb -0.13 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3ag3 h THR 452 CO -0.07 0.11 -0.07 0.40 0.37 0.00 0.00 175.52 176.25 3ag3 h ILE 453 N -0.25 1.17 -0.16 3.11 2.04 -1.25 -2.01 117.51 120.16 3ag3 h ILE 453 Ca -0.01 -0.71 -0.18 0.00 1.00 0.00 0.00 64.86 64.96 3ag3 h ILE 453 Cb 0.22 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3ag3 h ILE 453 CO 0.01 0.23 -0.65 -1.28 0.00 0.00 0.00 178.15 176.46 3ag3 h SER 454 N 0.29 0.70 -0.12 1.72 0.87 -0.96 -0.82 113.55 115.23 3ag3 h SER 454 Ca 0.06 -0.41 -0.18 0.00 -1.23 0.00 0.00 61.79 60.03 3ag3 h SER 454 Cb 0.32 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3ag3 h SER 454 CO 0.02 1.16 -0.58 0.28 -0.53 0.00 0.00 176.83 177.18 3ag3 h SER 455 N 0.44 0.81 -0.85 6.23 0.02 -0.95 -1.91 113.55 117.34 3ag3 h SER 455 Ca -0.01 -0.45 -0.02 0.00 -0.84 0.00 0.00 61.79 60.47 3ag3 h SER 455 Cb 1.23 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 3ag3 h SER 455 CO 0.12 1.21 0.47 0.24 -1.14 0.00 0.00 176.83 177.74 3ag3 h MET 456 N 0.55 1.19 -0.87 3.45 2.07 -1.10 -1.90 114.93 118.32 3ag3 h MET 456 Ca 0.00 -0.13 0.11 0.00 -2.07 0.00 0.00 59.70 57.61 3ag3 h MET 456 Cb 1.16 -0.24 -0.06 0.00 -1.87 0.00 0.00 31.60 30.60 3ag3 h MET 456 CO 0.12 0.86 0.56 0.78 1.07 0.00 0.00 176.91 180.30 3ag3 h GLY 457 N 1.21 1.22 1.63 8.32 0.00 -0.65 -2.29 103.07 112.51 3ag3 h GLY 457 Ca 0.30 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 3ag3 h GLY 457 CO -0.05 0.17 -0.13 1.48 0.00 0.00 0.00 176.54 178.01 3ag3 h SER 458 N 0.81 0.43 -0.25 0.19 4.64 -0.57 -1.91 113.55 116.89 3ag3 h SER 458 Ca 0.41 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.55 3ag3 h SER 458 Cb 0.49 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3ag3 h SER 458 CO -0.18 0.60 -0.07 -0.26 -0.87 0.00 0.00 176.83 176.06 3ag3 h PHE 459 N 0.42 0.66 -0.84 4.77 0.05 -1.28 -1.74 116.94 118.98 3ag3 h PHE 459 Ca 0.08 -0.10 0.01 0.00 3.82 0.00 0.00 57.97 61.78 3ag3 h PHE 459 Cb 0.49 -0.18 -0.04 0.00 2.00 0.00 0.00 35.95 38.21 3ag3 h PHE 459 CO 0.01 0.68 0.55 0.82 -0.18 0.00 0.00 178.31 180.19 3ag3 h ILE 460 N 0.58 1.20 0.00 -0.55 2.04 -1.25 -1.72 117.51 117.81 3ag3 h ILE 460 Ca 0.11 -0.38 -0.12 0.00 1.00 0.00 0.00 64.86 65.47 3ag3 h ILE 460 Cb 0.47 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3ag3 h ILE 460 CO 0.02 0.20 -0.55 0.28 0.00 0.00 0.00 178.15 178.11 3ag3 h SER 461 N 1.12 0.00 -0.54 1.72 0.02 -1.40 -1.27 113.55 113.20 3ag3 h SER 461 Ca 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 3ag3 h SER 461 Cb -0.11 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 3ag3 h SER 461 CO -0.07 0.55 0.29 0.25 -1.14 0.00 0.00 176.83 176.71 3ag3 h LEU 462 N 0.00 0.67 -0.80 5.07 5.85 -0.87 -1.20 115.31 124.04 3ag3 h LEU 462 Ca -0.01 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3ag3 h LEU 462 Cb 1.03 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 3ag3 h LEU 462 CO 0.07 0.57 0.53 0.74 -0.34 0.00 0.00 178.44 180.01 3ag3 h THR 463 N 0.72 1.20 -0.66 1.05 2.02 -0.41 -1.31 112.91 115.53 3ag3 h THR 463 Ca 0.19 -0.37 0.06 0.00 0.77 0.00 0.00 66.41 67.06 3ag3 h THR 463 Cb 0.05 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.44 3ag3 h THR 463 CO -0.03 0.20 0.37 0.00 0.37 0.00 0.00 175.52 176.42 3ag3 h ALA 464 N 1.29 0.88 -0.40 6.16 0.00 -0.74 -0.85 119.26 125.60 3ag3 h ALA 464 Ca 0.29 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3ag3 h ALA 464 Cb -0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3ag3 h ALA 464 CO -0.06 0.04 0.19 0.28 0.00 0.00 0.00 179.25 179.70 3ag3 h VAL 465 N 0.68 1.17 -0.84 0.00 2.07 -0.40 -0.17 116.25 118.76 3ag3 h VAL 465 Ca 0.29 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3ag3 h VAL 465 Cb 0.18 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3ag3 h VAL 465 CO -0.18 0.18 0.52 0.24 0.02 0.00 0.00 177.57 178.35 3ag3 h MET 466 N 0.50 1.12 -0.74 1.57 2.86 -1.11 -2.07 114.93 117.07 3ag3 h MET 466 Ca 0.14 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 3ag3 h MET 466 Cb 0.11 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 3ag3 h MET 466 CO -0.02 0.77 0.26 1.25 1.06 0.00 0.00 176.91 180.24 3ag3 h LEU 467 N 1.14 1.04 -1.25 1.22 5.85 -0.77 -2.29 115.31 120.25 3ag3 h LEU 467 Ca 0.30 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3ag3 h LEU 467 Cb -0.08 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.66 3ag3 h LEU 467 CO -0.06 0.95 0.15 -0.03 -0.34 0.00 0.00 178.44 179.11 3ag3 h MET 468 N 1.07 0.67 -0.29 1.25 4.05 -0.37 0.62 114.93 121.93 3ag3 h MET 468 Ca 0.24 -0.10 -0.11 0.00 -0.28 0.00 0.00 59.70 59.45 3ag3 h MET 468 Cb 0.26 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.93 3ag3 h MET 468 CO -0.01 0.58 -0.28 0.28 0.23 0.00 0.00 176.91 177.70 3ag3 h VAL 469 N 0.66 1.28 -0.39 -5.77 2.07 -0.88 -1.70 116.25 111.51 3ag3 h VAL 469 Ca 0.16 -1.37 -0.09 0.00 0.82 0.00 0.00 66.70 66.22 3ag3 h VAL 469 Cb 0.19 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3ag3 h VAL 469 CO -0.01 0.44 -0.11 0.15 0.02 0.00 0.00 177.57 178.06 3ag3 h PHE 470 N 0.52 0.86 -0.85 1.57 3.57 -0.83 -1.45 116.94 120.34 3ag3 h PHE 470 Ca 0.07 -0.19 0.09 0.00 3.53 0.00 0.00 57.97 61.46 3ag3 h PHE 470 Cb 0.75 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.21 3ag3 h PHE 470 CO 0.03 0.91 0.50 0.82 -2.23 0.00 0.00 178.31 178.34 3ag3 h ILE 471 N 0.57 0.95 -0.37 1.41 2.04 -0.40 0.25 117.51 121.96 3ag3 h ILE 471 Ca 0.10 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 3ag3 h ILE 471 Cb 0.64 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3ag3 h ILE 471 CO 0.04 0.16 -0.07 0.40 0.00 0.00 0.00 178.15 178.68 3ag3 h ILE 472 N 0.86 1.27 -0.33 -0.67 2.04 -1.19 -2.25 117.51 117.25 3ag3 h ILE 472 Ca 0.40 -1.13 0.04 0.00 1.00 0.00 0.00 64.86 65.18 3ag3 h ILE 472 Cb 0.32 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 3ag3 h ILE 472 CO -0.23 0.37 0.08 -0.25 0.00 0.00 0.00 178.15 178.13 3ag3 h TRP 473 N 0.51 0.14 -0.20 1.37 7.01 -0.73 -1.71 115.95 122.33 3ag3 h TRP 473 Ca 0.10 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.06 3ag3 h TRP 473 Cb 0.57 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 3ag3 h TRP 473 CO 0.05 0.04 -0.14 1.49 -2.79 0.00 0.00 178.44 177.09 3ag3 h GLU 474 N 0.20 0.33 0.10 2.65 4.22 -0.31 0.60 114.58 122.37 3ag3 h GLU 474 Ca 0.15 -0.09 -0.00 0.00 0.08 0.00 0.00 59.36 59.50 3ag3 h GLU 474 Cb 0.16 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3ag3 h GLU 474 CO -0.19 0.48 -0.05 0.00 -2.18 0.00 0.00 179.01 177.07 3ag3 h ALA 475 N 1.55 -0.13 -0.08 2.92 0.00 -1.02 -0.32 119.26 122.18 3ag3 h ALA 475 Ca 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 3ag3 h ALA 475 Cb 0.44 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ag3 h ALA 475 CO 0.03 -0.37 -0.08 0.74 0.00 0.00 0.00 179.25 179.56 3ag3 h PHE 476 N -0.53 0.12 -0.31 0.00 -1.00 -0.69 -2.01 116.94 112.52 3ag3 h PHE 476 Ca -0.01 -0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.70 3ag3 h PHE 476 Cb 0.44 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 3ag3 h PHE 476 CO 0.06 0.21 -0.06 0.00 -1.61 0.00 0.00 178.31 176.90 3ag3 h ALA 477 N 1.80 0.43 0.13 2.45 0.00 0.43 -3.35 119.26 121.16 3ag3 h ALA 477 Ca 0.03 -0.28 -0.28 0.00 0.00 0.00 0.00 54.91 54.38 3ag3 h ALA 477 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ag3 h ALA 477 CO 0.01 0.24 -1.28 0.77 0.00 0.00 0.00 179.25 178.99 3ag3 h SER 478 N 0.36 0.43 -5.44 0.00 0.02 -1.04 -3.50 113.55 104.39 3ag3 h SER 478 Ca 0.08 -0.47 -0.29 0.00 -0.84 0.00 0.00 61.79 60.27 3ag3 h SER 478 Cb 0.54 -0.14 0.17 0.00 0.14 0.00 0.00 62.40 63.11 3ag3 h SER 478 CO 0.03 1.37 -0.76 0.29 -1.14 0.00 0.00 176.83 176.62 3ag3 n LYS 479 N -3.53 -4.99 -2.66 3.45 5.02 -0.76 -4.96 118.16 109.73 3ag3 n LYS 479 Ca -0.09 0.82 -0.42 0.00 -2.02 0.00 0.00 58.31 56.59 3ag3 n LYS 479 Cb 1.03 -5.70 -0.03 0.00 -0.02 0.00 0.00 35.03 30.31 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 -4.99 3.45 0.16 1.97 0.52 -1.26 -5.03 118.95 113.77 3ag3 s ARG 480 Ca 0.14 0.07 -0.28 0.00 -0.52 0.00 0.00 55.73 55.15 3ag3 s ARG 480 Cb -0.02 -4.03 -0.08 0.00 0.52 0.00 0.00 34.95 31.34 3ag3 s ARG 480 CO 0.70 -1.64 0.87 -1.21 0.02 0.00 0.00 175.30 174.04 3ag3 s GLU 481 N 4.67 4.69 0.40 3.54 2.02 -1.26 -1.40 118.70 131.35 3ag3 s GLU 481 Ca 0.39 1.32 -0.27 0.00 0.02 0.00 0.00 54.97 56.43 3ag3 s GLU 481 Cb -0.09 -3.31 -0.09 0.00 0.10 0.00 0.00 34.13 30.74 3ag3 s GLU 481 CO 0.23 0.44 1.39 0.08 0.02 0.00 0.00 175.26 177.42 3ag3 s VAL 482 N -0.77 2.33 -0.07 2.63 1.01 -0.77 -4.93 120.40 119.84 3ag3 s VAL 482 Ca 0.40 0.31 -0.03 0.00 0.00 0.00 0.00 61.98 62.66 3ag3 s VAL 482 Cb -0.24 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 3ag3 s VAL 482 CO 0.28 0.06 -0.09 0.18 0.00 0.00 0.00 175.10 175.53 3ag3 n LEU 483 N 0.20 0.50 -4.07 3.92 4.77 -1.26 -4.97 117.00 116.10 3ag3 n LEU 483 Ca 0.03 0.08 -0.14 0.00 -0.03 0.00 0.00 56.01 55.95 3ag3 n LEU 483 Cb 0.42 -0.20 -0.12 0.00 -2.33 0.00 0.00 43.42 41.19 3ag3 n LEU 483 CO 0.59 0.15 -0.41 -0.89 -1.33 0.00 0.00 177.39 175.50 3ag3 s THR 484 N -2.12 0.62 -0.02 -5.08 2.01 -1.26 -5.11 115.64 104.67 3ag3 s THR 484 Ca -0.10 -1.06 -0.01 0.00 0.31 0.00 0.00 61.69 60.83 3ag3 s THR 484 Cb 0.04 -0.66 0.02 0.00 0.01 0.00 0.00 72.50 71.90 3ag3 s THR 484 CO 0.12 -0.32 0.05 -0.69 -0.69 0.00 0.00 174.62 173.09 3ag3 s VAL 485 N -1.28 -0.02 0.70 3.82 1.01 -1.26 -5.16 120.40 118.21 3ag3 s VAL 485 Ca -0.08 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 3ag3 s VAL 485 Cb -0.10 -0.10 0.04 0.00 0.00 0.00 0.00 36.38 36.23 3ag3 s VAL 485 CO 0.01 0.03 1.04 -1.81 0.00 0.00 0.00 175.10 174.37 3ag3 s ASP 486 N 0.47 5.05 -1.48 3.32 1.01 -1.26 -4.34 116.67 119.44 3ag3 s ASP 486 Ca -0.04 0.71 -0.01 0.00 0.71 0.00 0.00 52.55 53.91 3ag3 s ASP 486 Cb -0.05 -1.43 0.01 0.00 1.01 0.00 0.00 42.92 42.45 3ag3 s ASP 486 CO -0.02 -1.49 0.13 0.18 0.21 0.00 0.00 175.17 174.19 3ag3 n LEU 487 N -2.94 -1.78 0.32 1.23 4.77 -1.26 -4.88 117.00 112.46 3ag3 n LEU 487 Ca 0.07 -0.02 0.21 0.00 -0.03 0.00 0.00 56.01 56.24 3ag3 n LEU 487 Cb 0.59 -2.63 1.02 0.00 -2.33 0.00 0.00 43.42 40.07 3ag3 n LEU 487 CO 0.54 -0.09 1.11 0.71 -1.33 0.00 0.00 177.39 178.34 3ag3 h THR 488 N -0.29 0.01 0.00 -5.08 1.35 -1.84 -2.11 112.91 104.95 3ag3 h THR 488 Ca -0.43 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3ag3 h THR 488 Cb 1.31 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3ag3 h THR 488 CO 0.50 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 176.48 3ag3 h THR 489 N 0.00 0.00 0.00 6.82 1.35 -1.96 -2.46 112.91 116.66 3ag3 h THR 489 Ca -0.00 -0.25 -0.01 0.00 -0.55 0.00 0.00 66.41 65.60 3ag3 h THR 489 Cb 0.20 1.01 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 3ag3 h THR 489 CO 0.00 0.00 -0.27 0.35 -0.25 0.00 0.00 175.52 175.35 3ag3 n THR 490 N -2.37 1.09 -3.12 6.82 -2.24 -0.82 -4.83 114.28 108.80 3ag3 n THR 490 Ca 0.02 -1.38 -0.20 0.00 -2.27 0.00 0.00 64.05 60.22 3ag3 n THR 490 Cb 0.23 0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 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 -0.78 -0.94 0.09 3.42 3.02 -0.93 -5.01 115.26 114.14 3ag3 n ASN 491 Ca 0.09 -2.74 0.19 0.00 -0.03 0.00 0.00 54.58 52.09 3ag3 n ASN 491 Cb 0.69 0.08 0.74 0.00 -0.61 0.00 0.00 39.78 40.68 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 4.53 0.00 -1.04 3.41 5.85 -1.88 -1.37 115.31 124.81 3ag3 h LEU 492 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ag3 h LEU 492 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3ag3 h LEU 492 CO 0.37 0.00 0.00 1.05 -0.34 0.00 0.00 178.44 179.52 3ag3 h GLU 493 N 0.00 0.00 -0.00 1.25 9.09 -1.92 -1.90 114.58 121.09 3ag3 h GLU 493 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 3ag3 h GLU 493 Cb 0.83 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.93 3ag3 h GLU 493 CO -0.00 0.00 -0.64 0.91 0.05 0.00 0.00 179.01 179.33 3ag3 n TRP 494 N -2.44 0.00 0.71 2.06 7.02 -0.51 -4.43 117.44 119.84 3ag3 n TRP 494 Ca 0.01 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.61 3ag3 n TRP 494 Cb 0.21 -0.17 0.48 0.00 -2.42 0.00 0.00 31.31 29.41 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 -1.47 0.30 -1.04 -0.99 7.94 -0.72 -2.35 117.00 118.67 3ag3 n LEU 495 Ca 0.05 0.54 0.06 0.00 -1.11 0.00 0.00 56.01 55.56 3ag3 n LEU 495 Cb 0.34 -0.47 0.22 0.00 0.53 0.00 0.00 43.42 44.04 3ag3 n LEU 495 CO 0.37 -0.18 0.66 0.59 -1.11 0.00 0.00 177.39 177.72 3ag3 n ASN 496 N -1.79 3.01 0.00 1.96 3.02 -1.26 -5.07 115.26 115.13 3ag3 n ASN 496 Ca 0.05 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.39 3ag3 n ASN 496 Cb 0.31 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 0.93 -2.84 2.73 7.41 0.00 -0.99 -4.35 105.19 108.08 3ag3 n GLY 497 Ca 0.16 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.20 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 1.86 3.66 0.81 0.00 0.04 -1.25 -4.25 135.00 135.87 3ag3 s PRO 499 Ca -0.01 0.86 -0.11 0.00 0.04 0.00 0.00 61.00 61.78 3ag3 s PRO 499 Cb -0.17 -2.09 0.08 0.00 0.04 0.00 0.00 34.50 32.36 3ag3 s PRO 499 CO -0.08 -0.51 1.09 -1.25 0.04 0.00 0.00 177.00 176.29 3ag3 s PRO 500 N -4.71 1.95 0.69 0.56 0.04 -1.08 -4.98 135.00 127.47 3ag3 s PRO 500 Ca 0.57 1.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.50 3ag3 s PRO 500 Cb -0.11 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.57 3ag3 s PRO 500 CO 0.45 -1.82 1.22 -2.14 0.04 0.00 0.00 177.00 174.74 3ag3 s PRO 501 N -4.92 2.39 0.28 0.56 0.02 -1.26 -4.90 135.00 127.16 3ag3 s PRO 501 Ca 0.62 1.80 -0.08 0.00 0.02 0.00 0.00 61.00 63.35 3ag3 s PRO 501 Cb -0.17 -1.86 0.45 0.00 0.02 0.00 0.00 34.50 32.94 3ag3 s PRO 501 CO 0.56 -1.66 1.55 0.98 -0.33 0.00 0.00 177.00 178.11 3ag3 n TYR 502 N -2.38 0.35 -3.66 6.54 4.19 -1.26 -3.97 117.16 116.97 3ag3 n TYR 502 Ca 0.14 1.22 -0.37 0.00 3.31 0.00 0.00 57.90 62.19 3ag3 n TYR 502 Cb 0.50 -1.07 -0.12 0.00 0.49 0.00 0.00 39.34 39.14 3ag3 n TYR 502 CO 0.00 0.00 0.00 -1.01 0.91 0.00 0.00 176.86 176.76 3ag3 s HIS 503 N -6.25 3.16 0.21 2.98 3.76 -1.26 -4.92 115.29 112.97 3ag3 s HIS 503 Ca -0.15 -0.14 0.10 0.00 -0.15 0.00 0.00 55.06 54.72 3ag3 s HIS 503 Cb 0.27 -2.33 -0.04 0.00 1.11 0.00 0.00 32.58 31.59 3ag3 s HIS 503 CO 0.78 -0.26 -0.15 0.95 -0.85 0.00 0.00 174.74 175.21 3ag3 s THR 504 N 1.69 2.85 -1.64 1.30 -4.23 -1.25 -4.68 115.64 109.68 3ag3 s THR 504 Ca 0.07 -1.91 -0.03 0.00 -1.18 0.00 0.00 61.69 58.64 3ag3 s THR 504 Cb -0.16 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.27 3ag3 s THR 504 CO 0.08 -0.18 0.38 0.49 -0.54 0.00 0.00 174.62 174.85 3ag3 n PHE 505 N -0.07 -1.62 -0.29 3.99 3.72 -1.26 -4.38 117.46 117.55 3ag3 n PHE 505 Ca -0.10 0.33 0.05 0.00 -0.05 0.00 0.00 57.45 57.67 3ag3 n PHE 505 Cb 0.57 -4.28 0.26 0.00 -0.94 0.00 0.00 39.48 35.08 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 -0.87 0.96 -5.05 -1.08 5.08 -1.94 -3.32 114.58 108.37 3ag3 h GLU 506 Ca -0.52 -0.06 -0.63 0.00 -1.00 0.00 0.00 59.36 57.16 3ag3 h GLU 506 Cb 1.37 -0.22 -0.15 0.00 0.50 0.00 0.00 28.75 30.24 3ag3 h GLU 506 CO 0.57 0.64 -0.41 -2.00 -1.00 0.00 0.00 179.01 176.81 3ag3 s GLU 507 N -5.88 4.01 0.88 2.33 2.12 -1.26 -5.10 118.70 115.81 3ag3 s GLU 507 Ca -0.11 -0.17 -0.12 0.00 0.36 0.00 0.00 54.97 54.93 3ag3 s GLU 507 Cb 0.20 -3.62 0.12 0.00 0.26 0.00 0.00 34.13 31.09 3ag3 s GLU 507 CO 0.80 -0.14 1.09 -1.25 -0.54 0.00 0.00 175.26 175.22 3ag3 s PRO 508 N 1.65 1.36 0.64 4.30 0.04 -1.25 -5.00 135.00 136.75 3ag3 s PRO 508 Ca 0.10 0.74 -0.16 0.00 0.04 0.00 0.00 61.00 61.72 3ag3 s PRO 508 Cb -0.15 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 3ag3 s PRO 508 CO 0.09 -2.15 1.12 0.95 0.04 0.00 0.00 177.00 177.05 3ag3 s THR 509 N -3.00 3.19 -0.21 1.26 -4.23 -1.26 -5.02 115.64 106.37 3ag3 s THR 509 Ca 0.63 0.58 -0.08 0.00 -1.18 0.00 0.00 61.69 61.64 3ag3 s THR 509 Cb -0.17 -3.12 -0.04 0.00 1.34 0.00 0.00 72.50 70.51 3ag3 s THR 509 CO 0.56 -0.32 0.09 -0.47 -0.54 0.00 0.00 174.62 173.95 3ag3 s TYR 510 N -2.24 3.24 -0.07 3.99 6.14 -1.26 -5.03 117.35 122.13 3ag3 s TYR 510 Ca 0.68 0.04 -0.02 0.00 0.64 0.00 0.00 57.07 58.41 3ag3 s TYR 510 Cb -0.21 -2.16 0.03 0.00 0.42 0.00 0.00 41.96 40.04 3ag3 s TYR 510 CO 0.39 0.05 0.04 0.08 0.64 0.00 0.00 175.55 176.75 3ag3 s VAL 511 N 0.77 0.11 0.59 3.14 1.01 -1.26 -5.14 120.40 119.62 3ag3 s VAL 511 Ca 0.05 0.23 -0.13 0.00 0.00 0.00 0.00 61.98 62.13 3ag3 s VAL 511 Cb -0.13 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.83 3ag3 s VAL 511 CO 0.02 0.17 1.02 0.20 0.00 0.00 0.00 175.10 176.51 3ag3 s ASN 512 N 2.08 6.28 -0.15 3.32 0.02 -1.26 -4.50 114.94 120.72 3ag3 s ASN 512 Ca 0.05 1.50 -0.12 0.00 -1.02 0.00 0.00 52.86 53.27 3ag3 s ASN 512 Cb -0.13 -2.49 -0.04 0.00 0.02 0.00 0.00 41.25 38.62 3ag3 s ASN 512 CO -0.04 -0.83 -0.23 0.18 0.02 0.00 0.00 177.10 176.19 3ag3 n LEU 513 N -2.35 1.85 0.00 0.60 4.77 -1.26 -4.94 117.00 115.67 3ag3 n LEU 513 Ca 0.06 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 3ag3 n LEU 513 Cb 0.54 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3ag3 n LEU 513 CO 0.53 -0.40 0.00 0.29 -1.33 0.00 0.00 177.39 176.48