#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 h ILE 3 N 0.00 0.88 -0.77 -2.13 2.04 -2.01 0.48 117.51 116.00 3ag1 h ILE 3 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3ag1 h ILE 3 Cb 0.00 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 3ag1 h ILE 3 CO 0.00 0.03 0.49 0.78 0.00 0.00 0.00 178.15 179.46 3ag1 h ASN 4 N 0.19 0.90 0.12 1.72 4.21 -1.95 -0.11 115.58 120.66 3ag1 h ASN 4 Ca 0.14 -0.03 -0.25 0.00 1.21 0.00 0.00 56.30 57.36 3ag1 h ASN 4 Cb 0.13 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.11 3ag1 h ASN 4 CO -0.17 0.67 -1.23 -0.09 -1.29 0.00 0.00 177.43 175.31 3ag1 h ARG 5 N 1.05 0.26 0.00 0.81 2.43 -1.83 -3.19 114.38 113.91 3ag1 h ARG 5 Ca 0.28 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3ag1 h ARG 5 Cb -0.09 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3ag1 h ARG 5 CO -0.06 1.21 -0.93 0.91 -1.51 0.00 0.00 179.97 179.60 3ag1 n TRP 6 N -3.99 0.00 -0.01 2.20 7.02 0.13 -3.78 117.44 119.02 3ag1 n TRP 6 Ca -0.22 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 3ag1 n TRP 6 Cb 0.88 -0.02 -0.03 0.00 -2.42 0.00 0.00 31.31 29.72 3ag1 n TRP 6 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3ag1 n LEU 7 N -1.47 0.00 -1.22 -0.99 4.32 -0.09 -4.63 117.00 112.91 3ag1 n LEU 7 Ca 0.03 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 56.00 3ag1 n LEU 7 Cb 0.30 0.04 0.22 0.00 -1.62 0.00 0.00 43.42 42.36 3ag1 n LEU 7 CO 0.38 0.04 0.77 0.49 -1.22 0.00 0.00 177.39 177.85 3ag1 n PHE 8 N -1.85 1.29 -1.81 -1.77 3.72 -1.00 -5.03 117.46 111.01 3ag1 n PHE 8 Ca -0.03 -1.40 -0.39 0.00 -0.05 0.00 0.00 57.45 55.57 3ag1 n PHE 8 Cb 0.33 -0.49 0.02 0.00 -0.94 0.00 0.00 39.48 38.40 3ag1 n PHE 8 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ag1 s SER 9 N -2.19 5.70 -0.20 4.37 0.15 -1.25 -4.88 113.70 115.41 3ag1 s SER 9 Ca 0.46 2.85 0.16 0.00 0.70 0.00 0.00 55.95 60.12 3ag1 s SER 9 Cb 0.40 -2.65 0.46 0.00 -1.71 0.00 0.00 66.02 62.52 3ag1 s SER 9 CO 0.04 -1.29 1.17 0.35 1.20 0.00 0.00 173.24 174.71 3ag1 n THR 10 N -0.45 1.57 -4.63 6.45 -2.24 -1.26 -4.60 114.28 109.12 3ag1 n THR 10 Ca 0.07 -2.97 -0.26 0.00 -2.27 0.00 0.00 64.05 58.61 3ag1 n THR 10 Cb 0.43 0.21 -0.17 0.00 -2.10 0.00 0.00 70.33 68.70 3ag1 n THR 10 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ag1 s ASN 11 N -3.26 2.10 0.39 3.42 3.84 -1.26 -4.82 114.94 115.35 3ag1 s ASN 11 Ca 0.38 -0.36 0.17 0.00 0.21 0.00 0.00 52.86 53.26 3ag1 s ASN 11 Cb 0.37 -0.96 0.80 0.00 -0.55 0.00 0.00 41.25 40.91 3ag1 s ASN 11 CO -0.05 0.04 1.81 1.12 -2.79 0.00 0.00 177.10 177.24 3ag1 h HIS 12 N 7.06 0.00 -0.04 0.43 2.07 -1.92 -0.96 115.15 121.79 3ag1 h HIS 12 Ca -0.29 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.21 3ag1 h HIS 12 Cb 1.19 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.17 3ag1 h HIS 12 CO 0.48 0.35 -0.06 0.87 -3.07 0.00 0.00 177.93 176.50 3ag1 h LYS 13 N 0.00 0.12 -0.63 5.12 1.57 -1.90 0.14 116.57 120.98 3ag1 h LYS 13 Ca -0.00 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3ag1 h LYS 13 Cb 0.73 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 3ag1 h LYS 13 CO 0.05 0.62 0.23 -0.44 -0.57 0.00 0.00 179.45 179.33 3ag1 h ASP 14 N -0.36 0.89 -0.67 0.86 3.45 -1.87 0.29 116.42 119.01 3ag1 h ASP 14 Ca 0.00 -0.19 -0.00 0.00 0.43 0.00 0.00 57.03 57.27 3ag1 h ASP 14 Cb 0.60 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 39.11 3ag1 h ASP 14 CO 0.01 0.84 0.40 0.40 -1.57 0.00 0.00 179.24 179.33 3ag1 h ILE 15 N 0.90 1.19 -0.50 0.35 2.04 -1.23 0.11 117.51 120.36 3ag1 h ILE 15 Ca 0.21 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.70 3ag1 h ILE 15 Cb 0.24 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 3ag1 h ILE 15 CO -0.01 0.20 0.22 1.23 0.00 0.00 0.00 178.15 179.79 3ag1 h GLY 16 N 0.91 0.69 0.98 5.37 0.00 0.82 -1.33 103.07 110.52 3ag1 h GLY 16 Ca 0.24 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 3ag1 h GLY 16 CO -0.04 0.06 0.25 -0.84 0.00 0.00 0.00 176.54 175.96 3ag1 h THR 17 N 0.43 1.14 -0.90 4.70 2.02 0.22 -1.74 112.91 118.77 3ag1 h THR 17 Ca 0.23 -0.32 0.08 0.00 0.77 0.00 0.00 66.41 67.18 3ag1 h THR 17 Cb 0.20 0.59 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 3ag1 h THR 17 CO -0.20 0.14 0.58 -0.07 0.37 0.00 0.00 175.52 176.34 3ag1 h LEU 18 N 0.55 0.86 -0.65 2.58 3.38 -0.15 -1.35 115.31 120.53 3ag1 h LEU 18 Ca 0.15 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 3ag1 h LEU 18 Cb 0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3ag1 h LEU 18 CO -0.03 0.53 0.18 1.88 0.09 0.00 0.00 178.44 181.09 3ag1 h TYR 19 N 0.96 1.07 -0.33 1.13 0.05 -0.53 0.48 116.97 119.81 3ag1 h TYR 19 Ca 0.40 -0.12 -0.05 0.00 0.05 0.00 0.00 58.73 59.01 3ag1 h TYR 19 Cb 0.30 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 3ag1 h TYR 19 CO -0.00 0.88 -0.01 -0.07 -1.05 0.00 0.00 178.16 177.91 3ag1 h LEU 20 N 0.95 0.57 0.09 3.88 3.38 -1.02 -0.10 115.31 123.07 3ag1 h LEU 20 Ca 0.21 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3ag1 h LEU 20 Cb 0.33 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3ag1 h LEU 20 CO -0.00 0.75 -0.16 -0.07 0.09 0.00 0.00 178.44 179.05 3ag1 h LEU 21 N 0.38 -0.44 -0.61 1.67 3.38 -1.15 -1.55 115.31 117.00 3ag1 h LEU 21 Ca 0.09 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.24 3ag1 h LEU 21 Cb 0.46 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.28 3ag1 h LEU 21 CO 0.02 -0.23 -0.02 0.15 0.09 0.00 0.00 178.44 178.45 3ag1 h PHE 22 N -0.31 -0.08 -0.25 1.13 3.57 -0.79 -2.47 116.94 117.73 3ag1 h PHE 22 Ca 0.02 0.05 -0.14 0.00 3.53 0.00 0.00 57.97 61.43 3ag1 h PHE 22 Cb 0.33 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3ag1 h PHE 22 CO -0.17 -0.18 -0.42 0.78 -2.23 0.00 0.00 178.31 176.09 3ag1 h GLY 23 N 0.10 0.67 0.99 2.40 0.00 -0.88 -0.06 103.07 106.29 3ag1 h GLY 23 Ca 0.31 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 3ag1 h GLY 23 CO -0.53 0.62 0.25 0.00 0.00 0.00 0.00 176.54 176.87 3ag1 h ALA 24 N 1.03 0.51 -0.05 3.60 0.00 -1.07 0.39 119.26 123.67 3ag1 h ALA 24 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ag1 h ALA 24 Cb 0.94 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3ag1 h ALA 24 CO 0.08 -0.01 0.02 2.35 0.00 0.00 0.00 179.25 181.69 3ag1 h TRP 25 N 0.53 0.08 -0.64 0.00 7.01 -1.24 -2.37 115.95 119.32 3ag1 h TRP 25 Ca 0.14 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.22 3ag1 h TRP 25 Cb -0.02 -0.02 -0.07 0.00 -2.10 0.00 0.00 29.16 26.95 3ag1 h TRP 25 CO -0.04 0.23 0.28 0.00 -2.79 0.00 0.00 178.44 176.13 3ag1 h ALA 26 N 0.84 0.85 -0.92 2.65 0.00 -0.83 -0.79 119.26 121.06 3ag1 h ALA 26 Ca 0.02 0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.25 3ag1 h ALA 26 Cb 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.83 3ag1 h ALA 26 CO -0.00 -0.12 0.26 0.78 0.00 0.00 0.00 179.25 180.17 3ag1 h GLY 27 N 0.49 1.49 0.96 0.00 0.00 0.07 0.60 103.07 106.67 3ag1 h GLY 27 Ca 0.31 -0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.50 3ag1 h GLY 27 CO -0.28 -0.43 -0.24 -0.33 0.00 0.00 0.00 176.54 175.26 3ag1 h MET 28 N 0.18 0.69 -0.75 4.80 2.07 -0.64 -1.03 114.93 120.25 3ag1 h MET 28 Ca 0.60 -0.34 0.10 0.00 -2.07 0.00 0.00 59.70 57.99 3ag1 h MET 28 Cb 1.27 0.00 -0.07 0.00 -1.87 0.00 0.00 31.60 30.93 3ag1 h MET 28 CO -0.70 0.95 0.38 0.28 1.07 0.00 0.00 176.91 178.90 3ag1 h VAL 29 N 0.44 0.85 0.06 -2.22 2.07 -0.85 -0.99 116.25 115.61 3ag1 h VAL 29 Ca 0.05 -0.22 -0.24 0.00 0.82 0.00 0.00 66.70 67.11 3ag1 h VAL 29 Cb 0.80 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3ag1 h VAL 29 CO 0.06 0.12 -1.07 1.23 0.02 0.00 0.00 177.57 177.93 3ag1 h GLY 30 N 0.64 0.31 0.89 2.17 0.00 -0.60 -2.12 103.07 104.35 3ag1 h GLY 30 Ca 0.37 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3ag1 h GLY 30 CO -0.27 0.58 0.08 -0.84 0.00 0.00 0.00 176.54 176.08 3ag1 h THR 31 N 0.12 1.16 -0.40 4.70 2.02 -1.05 -0.66 112.91 118.81 3ag1 h THR 31 Ca -0.09 -0.50 0.06 0.00 0.77 0.00 0.00 66.41 66.65 3ag1 h THR 31 Cb 1.76 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 69.25 3ag1 h THR 31 CO 0.17 0.16 0.08 0.00 0.37 0.00 0.00 175.52 176.30 3ag1 h ALA 32 N 0.91 0.43 -0.71 6.16 0.00 -1.02 -0.76 119.26 124.27 3ag1 h ALA 32 Ca 0.06 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ag1 h ALA 32 Cb 0.18 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3ag1 h ALA 32 CO -0.00 -0.32 0.33 -0.07 0.00 0.00 0.00 179.25 179.18 3ag1 h LEU 33 N 0.21 0.93 -1.22 0.00 3.38 -1.27 -1.19 115.31 116.14 3ag1 h LEU 33 Ca 0.19 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3ag1 h LEU 33 Cb 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ag1 h LEU 33 CO -0.25 0.80 -0.18 0.77 0.09 0.00 0.00 178.44 179.67 3ag1 h SER 34 N 1.01 0.31 0.48 -0.43 4.64 0.01 -1.62 113.55 117.95 3ag1 h SER 34 Ca 0.24 -0.08 -0.21 0.00 -0.47 0.00 0.00 61.79 61.27 3ag1 h SER 34 Cb 0.13 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3ag1 h SER 34 CO -0.03 0.51 -0.91 -0.07 -0.87 0.00 0.00 176.83 175.47 3ag1 h LEU 35 N 0.30 0.37 -0.98 5.97 3.38 -0.74 -2.54 115.31 121.07 3ag1 h LEU 35 Ca 0.05 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.74 3ag1 h LEU 35 Cb 0.49 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3ag1 h LEU 35 CO 0.03 1.10 0.65 -0.07 0.09 0.00 0.00 178.44 180.24 3ag1 h LEU 36 N 0.16 1.12 -0.57 1.67 3.38 -1.01 -0.74 115.31 119.32 3ag1 h LEU 36 Ca -0.06 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3ag1 h LEU 36 Cb 1.54 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 3ag1 h LEU 36 CO 0.15 0.81 0.36 0.40 0.09 0.00 0.00 178.44 180.24 3ag1 h ILE 37 N 1.32 1.11 0.00 1.22 2.04 -1.04 -2.29 117.51 119.87 3ag1 h ILE 37 Ca 0.36 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 3ag1 h ILE 37 Cb -0.14 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3ag1 h ILE 37 CO -0.08 0.13 -0.37 0.03 0.00 0.00 0.00 178.15 177.87 3ag1 h ARG 38 N 0.73 0.00 -0.18 2.37 2.47 -1.26 -2.81 114.38 115.70 3ag1 h ARG 38 Ca 0.22 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.86 3ag1 h ARG 38 Cb -0.04 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.28 3ag1 h ARG 38 CO -0.07 0.18 -0.18 0.00 0.56 0.00 0.00 179.97 180.46 3ag1 h ALA 39 N 1.80 0.26 -0.62 0.04 0.00 -0.92 -0.04 119.26 119.78 3ag1 h ALA 39 Ca -0.01 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 54.62 3ag1 h ALA 39 Cb 1.16 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3ag1 h ALA 39 CO 0.02 0.17 0.41 1.49 0.00 0.00 0.00 179.25 181.35 3ag1 h GLU 40 N 0.09 0.59 -0.01 0.00 4.57 -1.36 -2.10 114.58 116.36 3ag1 h GLU 40 Ca 0.03 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3ag1 h GLU 40 Cb 0.72 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3ag1 h GLU 40 CO 0.04 0.39 -0.38 1.28 -1.18 0.00 0.00 179.01 179.16 3ag1 n LEU 41 N -4.48 1.24 0.25 1.64 4.77 -1.07 -4.51 117.00 114.84 3ag1 n LEU 41 Ca 0.09 -0.38 0.12 0.00 -0.03 0.00 0.00 56.01 55.81 3ag1 n LEU 41 Cb 0.24 -0.10 0.63 0.00 -2.33 0.00 0.00 43.42 41.87 3ag1 n LEU 41 CO 0.34 0.24 0.91 1.23 -1.33 0.00 0.00 177.39 178.78 3ag1 h GLY 42 N 4.92 0.00 -3.48 -0.72 0.00 -0.27 -3.41 103.07 100.11 3ag1 h GLY 42 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3ag1 h GLY 42 CO 0.00 0.00 -0.47 -0.86 0.00 0.00 0.00 176.54 175.21 3ag1 s GLN 43 N -3.90 0.71 0.70 4.80 -2.07 -1.26 -4.38 119.66 114.26 3ag1 s GLN 43 Ca -0.01 -0.92 -0.16 0.00 -1.82 0.00 0.00 55.36 52.45 3ag1 s GLN 43 Cb 0.11 0.28 0.02 0.00 -1.09 0.00 0.00 33.01 32.34 3ag1 s GLN 43 CO 0.59 -0.20 1.21 -2.14 -1.32 0.00 0.00 175.29 173.44 3ag1 s PRO 44 N -3.41 2.32 0.00 9.60 0.02 -1.26 -4.83 135.00 137.45 3ag1 s PRO 44 Ca 0.02 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.82 3ag1 s PRO 44 Cb 0.03 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.70 3ag1 s PRO 44 CO -0.08 -1.70 0.00 0.41 -0.33 0.00 0.00 177.00 175.29 3ag1 n GLY 45 N 0.43 -2.28 3.85 0.52 0.00 -1.26 -5.01 105.19 101.43 3ag1 n GLY 45 Ca 0.14 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.65 3ag1 n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ag1 s THR 46 N -0.48 5.40 -0.19 2.61 -1.32 -1.26 -4.69 115.64 115.70 3ag1 s THR 46 Ca 0.00 0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.83 3ag1 s THR 46 Cb 0.00 -3.48 -0.12 0.00 -1.51 0.00 0.00 72.50 67.39 3ag1 s THR 46 CO 0.00 0.58 -0.18 -0.11 -2.21 0.00 0.00 174.62 172.70 3ag1 n LEU 47 N 2.22 2.85 0.13 9.08 7.94 -1.26 -4.64 117.00 133.32 3ag1 n LEU 47 Ca -0.18 -0.07 0.12 0.00 -1.11 0.00 0.00 56.01 54.77 3ag1 n LEU 47 Cb 0.54 -0.66 0.12 0.00 0.53 0.00 0.00 43.42 43.95 3ag1 n LEU 47 CO 0.33 0.79 0.40 -0.07 -1.11 0.00 0.00 177.39 177.73 3ag1 h LEU 48 N -0.06 0.00 0.00 -1.96 3.38 -1.94 -3.48 115.31 111.25 3ag1 h LEU 48 Ca -0.43 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3ag1 h LEU 48 Cb 1.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.39 3ag1 h LEU 48 CO -0.09 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.07 3ag1 n GLY 49 N 1.19 1.71 3.04 0.83 0.00 -1.26 -4.88 105.19 105.82 3ag1 n GLY 49 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3ag1 n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag1 s ASP 50 N -0.71 4.47 0.32 1.61 -1.08 -1.26 -4.96 116.67 115.07 3ag1 s ASP 50 Ca 0.00 -1.59 0.26 0.00 -0.52 0.00 0.00 52.55 50.70 3ag1 s ASP 50 Cb 0.00 -1.52 0.74 0.00 -1.46 0.00 0.00 42.92 40.67 3ag1 s ASP 50 CO 0.00 -0.25 1.74 0.44 0.52 0.00 0.00 175.17 177.62 3ag1 h ASP 51 N 7.75 0.00 -0.42 -0.34 3.45 -2.00 -1.77 116.42 123.09 3ag1 h ASP 51 Ca -0.15 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.24 3ag1 h ASP 51 Cb 1.04 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.79 3ag1 h ASP 51 CO 0.47 0.00 0.02 -0.61 -1.57 0.00 0.00 179.24 177.55 3ag1 h GLN 52 N 0.00 0.81 -0.63 3.56 5.75 -1.96 -1.81 115.11 120.83 3ag1 h GLN 52 Ca 0.00 -0.21 -0.08 0.00 -0.15 0.00 0.00 58.65 58.21 3ag1 h GLN 52 Cb 0.75 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.18 3ag1 h GLN 52 CO 0.00 0.80 0.09 0.82 -2.65 0.00 0.00 178.83 177.89 3ag1 h ILE 53 N 0.76 1.26 -0.33 2.39 2.04 -1.63 -2.31 117.51 119.68 3ag1 h ILE 53 Ca 0.15 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3ag1 h ILE 53 Cb 0.44 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3ag1 h ILE 53 CO 0.02 0.38 0.22 0.22 0.00 0.00 0.00 178.15 178.98 3ag1 h TYR 54 N 0.97 0.42 -0.38 1.37 5.03 -1.31 -0.71 116.97 122.36 3ag1 h TYR 54 Ca 0.19 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.50 3ag1 h TYR 54 Cb 0.43 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.55 3ag1 h TYR 54 CO 0.03 0.27 0.19 -0.91 -1.32 0.00 0.00 178.16 176.42 3ag1 h ASN 55 N 0.44 0.46 -0.45 -2.11 2.35 -1.23 0.15 115.58 115.20 3ag1 h ASN 55 Ca 0.12 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 3ag1 h ASN 55 Cb -0.04 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3ag1 h ASN 55 CO -0.03 0.39 0.05 0.58 -1.65 0.00 0.00 177.43 176.77 3ag1 h VAL 56 N 0.53 1.25 -0.43 2.81 2.07 -1.09 -2.12 116.25 119.27 3ag1 h VAL 56 Ca 0.14 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 3ag1 h VAL 56 Cb 0.04 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3ag1 h VAL 56 CO -0.02 0.33 0.11 0.58 0.02 0.00 0.00 177.57 178.59 3ag1 h VAL 57 N 0.61 1.23 -0.22 2.57 2.07 0.50 -1.34 116.25 121.67 3ag1 h VAL 57 Ca 0.13 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3ag1 h VAL 57 Cb 0.42 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3ag1 h VAL 57 CO 0.01 0.28 -0.19 0.58 0.02 0.00 0.00 177.57 178.27 3ag1 h VAL 58 N 0.56 1.23 0.04 2.57 2.07 -0.72 -0.43 116.25 121.57 3ag1 h VAL 58 Ca 0.14 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 3ag1 h VAL 58 Cb 0.30 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3ag1 h VAL 58 CO 0.00 0.34 -0.02 0.74 0.02 0.00 0.00 177.57 178.65 3ag1 h THR 59 N 0.35 1.36 -0.75 2.57 2.02 -1.12 -2.90 112.91 114.44 3ag1 h THR 59 Ca 0.06 -1.43 -0.04 0.00 0.77 0.00 0.00 66.41 65.78 3ag1 h THR 59 Cb 0.54 2.29 -0.03 0.00 -1.74 0.00 0.00 68.15 69.21 3ag1 h THR 59 CO 0.04 0.35 0.32 0.00 0.37 0.00 0.00 175.52 176.60 3ag1 h ALA 60 N 0.20 0.97 -0.64 6.16 0.00 -1.18 -2.51 119.26 122.27 3ag1 h ALA 60 Ca -0.01 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.84 3ag1 h ALA 60 Cb 0.62 -0.29 -0.12 0.00 0.00 0.00 0.00 17.79 17.99 3ag1 h ALA 60 CO 0.01 0.58 -0.31 1.25 0.00 0.00 0.00 179.25 180.78 3ag1 h HIS 61 N 1.07 -0.83 -0.13 0.00 6.17 -1.03 -1.28 115.15 119.12 3ag1 h HIS 61 Ca 0.25 0.07 -0.01 0.00 0.71 0.00 0.00 60.37 61.40 3ag1 h HIS 61 Cb 0.18 0.46 -0.01 0.00 2.52 0.00 0.00 27.41 30.57 3ag1 h HIS 61 CO 0.02 -0.37 0.06 0.00 0.71 0.00 0.00 177.93 178.34 3ag1 h ALA 62 N 1.17 0.16 -0.46 5.26 0.00 -1.27 -2.02 119.26 122.10 3ag1 h ALA 62 Ca 0.26 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3ag1 h ALA 62 Cb 0.55 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3ag1 h ALA 62 CO -0.71 -0.27 0.11 0.74 0.00 0.00 0.00 179.25 179.12 3ag1 h PHE 63 N 0.07 0.78 -0.59 0.00 0.04 -0.98 -1.83 116.94 114.43 3ag1 h PHE 63 Ca 0.04 -0.09 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 3ag1 h PHE 63 Cb 0.14 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 3ag1 h PHE 63 CO -0.02 0.71 0.36 0.28 -0.60 0.00 0.00 178.31 179.04 3ag1 h VAL 64 N 0.62 1.17 -0.30 -0.55 2.07 -1.26 -0.35 116.25 117.67 3ag1 h VAL 64 Ca 0.15 -0.39 -0.17 0.00 0.82 0.00 0.00 66.70 67.11 3ag1 h VAL 64 Cb 0.32 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3ag1 h VAL 64 CO 0.00 0.18 -0.47 0.24 0.02 0.00 0.00 177.57 177.54 3ag1 h MET 65 N 0.80 0.84 0.09 1.57 2.86 -1.02 -0.23 114.93 119.85 3ag1 h MET 65 Ca 0.21 -0.51 -0.00 0.00 -2.06 0.00 0.00 59.70 57.34 3ag1 h MET 65 Cb -0.02 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3ag1 h MET 65 CO -0.04 1.14 -0.04 0.82 1.06 0.00 0.00 176.91 179.85 3ag1 h ILE 66 N 0.62 0.00 0.00 -1.22 2.04 -1.28 -0.97 117.51 116.70 3ag1 h ILE 66 Ca 0.03 -0.26 -0.12 0.00 1.00 0.00 0.00 64.86 65.51 3ag1 h ILE 66 Cb 1.07 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3ag1 h ILE 66 CO 0.11 0.00 -0.58 -0.26 0.00 0.00 0.00 178.15 177.42 3ag1 h PHE 67 N -0.38 0.00 0.00 1.37 0.04 -1.22 -2.75 116.94 114.01 3ag1 h PHE 67 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3ag1 h PHE 67 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 3ag1 h PHE 67 CO 0.04 0.58 -1.35 1.19 -0.60 0.00 0.00 178.31 178.16 3ag1 n PHE 68 N -3.37 0.00 0.00 -0.55 3.72 -1.00 -4.34 117.46 111.92 3ag1 n PHE 68 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3ag1 n PHE 68 Cb 0.71 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3ag1 n PHE 68 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 3ag1 n MET 69 N -1.79 0.00 -0.06 -1.08 1.56 -0.13 -4.25 117.12 111.38 3ag1 n MET 69 Ca -0.01 0.00 -0.11 0.00 -0.27 0.00 0.00 57.70 57.30 3ag1 n MET 69 Cb 0.26 -0.26 -0.05 0.00 2.15 0.00 0.00 33.22 35.32 3ag1 n MET 69 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3ag1 h VAL 70 N 0.00 1.22 -0.05 1.12 2.07 -1.23 -2.50 116.25 116.88 3ag1 h VAL 70 Ca 0.00 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3ag1 h VAL 70 Cb 0.00 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3ag1 h VAL 70 CO 0.00 0.22 -0.00 0.24 0.02 0.00 0.00 177.57 178.05 3ag1 h MET 71 N 0.13 0.09 -0.91 1.57 2.07 -1.74 -1.71 114.93 114.43 3ag1 h MET 71 Ca 0.06 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 3ag1 h MET 71 Cb 0.30 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.98 3ag1 h MET 71 CO 0.00 0.39 0.58 -1.35 1.07 0.00 0.00 176.91 177.61 3ag1 h PRO 72 N -0.22 1.21 0.07 -0.22 0.11 -1.75 -1.73 132.00 129.47 3ag1 h PRO 72 Ca 0.01 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3ag1 h PRO 72 Cb 0.35 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.20 3ag1 h PRO 72 CO 0.00 0.82 -0.03 0.82 -0.21 0.00 0.00 178.00 179.40 3ag1 h ILE 73 N 1.24 1.04 0.07 4.15 2.04 -1.43 0.48 117.51 125.11 3ag1 h ILE 73 Ca 0.33 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.71 3ag1 h ILE 73 Cb -0.11 1.28 0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3ag1 h ILE 73 CO -0.07 0.09 -0.48 0.24 0.00 0.00 0.00 178.15 177.93 3ag1 h MET 74 N -0.26 0.20 0.00 2.37 2.86 -1.28 0.56 114.93 119.38 3ag1 h MET 74 Ca -0.01 -0.31 -0.08 0.00 -2.06 0.00 0.00 59.70 57.24 3ag1 h MET 74 Cb 0.23 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3ag1 h MET 74 CO 0.02 1.13 -0.47 0.82 1.06 0.00 0.00 176.91 179.46 3ag1 h ILE 75 N -0.58 1.08 -0.15 -1.22 2.04 -1.46 -2.54 117.51 114.68 3ag1 h ILE 75 Ca -0.08 -1.98 -0.22 0.00 1.00 0.00 0.00 64.86 63.59 3ag1 h ILE 75 Cb 1.35 2.21 0.01 0.00 -0.74 0.00 0.00 36.82 39.65 3ag1 h ILE 75 CO 0.09 0.37 -0.76 1.23 0.00 0.00 0.00 178.15 179.08 3ag1 h GLY 76 N -1.00 0.82 0.00 5.37 0.00 -1.32 -2.53 103.07 104.41 3ag1 h GLY 76 Ca -0.12 -1.14 0.00 0.00 0.00 0.00 0.00 47.33 46.07 3ag1 h GLY 76 CO -0.07 1.02 0.00 0.61 0.00 0.00 0.00 176.54 178.10 3ag1 n GLY 77 N 0.65 0.36 0.35 4.60 0.00 0.16 -3.25 105.19 108.06 3ag1 n GLY 77 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 3ag1 n GLY 77 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3ag1 h PHE 78 N 0.00 0.98 0.30 1.61 -1.00 -0.96 -1.91 116.94 115.96 3ag1 h PHE 78 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3ag1 h PHE 78 Cb 0.00 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.24 3ag1 h PHE 78 CO 0.01 0.66 -0.14 0.78 -1.61 0.00 0.00 178.31 178.00 3ag1 h GLY 79 N 1.06 -0.42 1.11 -1.45 0.00 -1.00 -0.25 103.07 102.12 3ag1 h GLY 79 Ca 0.27 0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 3ag1 h GLY 79 CO -0.05 -0.15 0.35 3.43 0.00 0.00 0.00 176.54 180.12 3ag1 h ASN 80 N -0.55 1.04 0.02 0.19 2.35 -1.52 -0.69 115.58 116.41 3ag1 h ASN 80 Ca -0.04 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 3ag1 h ASN 80 Cb 0.41 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3ag1 h ASN 80 CO 0.07 0.90 -0.01 -0.50 -1.65 0.00 0.00 177.43 176.24 3ag1 h TRP 81 N 1.12 -0.02 0.05 1.19 4.06 -1.29 -3.39 115.95 117.67 3ag1 h TRP 81 Ca 0.27 -0.00 -0.35 0.00 2.06 0.00 0.00 58.89 60.87 3ag1 h TRP 81 Cb 0.15 0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.28 3ag1 h TRP 81 CO 0.02 0.19 -2.03 1.28 -3.56 0.00 0.00 178.44 174.34 3ag1 n LEU 82 N -5.00 1.82 0.06 -4.49 4.77 -0.11 -4.19 117.00 109.85 3ag1 n LEU 82 Ca -0.08 0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 55.99 3ag1 n LEU 82 Cb 0.13 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.68 3ag1 n LEU 82 CO 0.33 0.68 0.78 0.58 -1.33 0.00 0.00 177.39 178.43 3ag1 h VAL 83 N 0.03 0.68 -0.70 4.08 2.07 -1.29 0.58 116.25 121.70 3ag1 h VAL 83 Ca -0.42 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.12 3ag1 h VAL 83 Cb 2.03 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 3ag1 h VAL 83 CO 0.05 0.00 0.46 -0.65 0.02 0.00 0.00 177.57 177.46 3ag1 h PRO 84 N -0.23 0.87 0.00 1.57 0.11 -1.79 -2.59 132.00 129.94 3ag1 h PRO 84 Ca 0.04 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.99 3ag1 h PRO 84 Cb 0.28 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 3ag1 h PRO 84 CO -0.12 0.57 -0.53 -0.07 -0.21 0.00 0.00 178.00 177.65 3ag1 h LEU 85 N 0.90 0.00 -0.07 2.35 3.38 -1.51 0.30 115.31 120.65 3ag1 h LEU 85 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3ag1 h LEU 85 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3ag1 h LEU 85 CO -0.07 0.53 0.00 0.24 0.09 0.00 0.00 178.44 179.23 3ag1 h MET 86 N 0.00 0.00 0.00 1.13 2.86 -0.54 -3.32 114.93 115.06 3ag1 h MET 86 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3ag1 h MET 86 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3ag1 h MET 86 CO 0.07 0.00 0.00 0.44 1.06 0.00 0.00 176.91 178.48 3ag1 n ILE 87 N -2.43 0.59 -3.04 -1.22 -5.35 -1.06 -4.77 119.36 102.08 3ag1 n ILE 87 Ca 0.05 -0.77 -0.16 0.00 -0.27 0.00 0.00 62.75 61.60 3ag1 n ILE 87 Cb 0.43 0.73 0.04 0.00 -1.74 0.00 0.00 39.64 39.10 3ag1 n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ag1 n GLY 88 N -0.29 -0.13 3.89 3.28 0.00 -0.50 -4.00 105.19 107.45 3ag1 n GLY 88 Ca 0.00 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3ag1 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag1 s ALA 89 N -3.11 3.87 -0.25 4.61 0.00 -0.03 -4.61 121.76 122.24 3ag1 s ALA 89 Ca 0.32 -0.62 0.26 0.00 0.00 0.00 0.00 51.96 51.91 3ag1 s ALA 89 Cb -0.14 -2.03 0.67 0.00 0.00 0.00 0.00 23.12 21.61 3ag1 s ALA 89 CO 0.39 0.69 1.73 -1.00 0.00 0.00 0.00 175.76 177.57 3ag1 h PRO 90 N 3.58 0.00 0.00 0.00 0.13 -1.79 -3.42 132.00 130.50 3ag1 h PRO 90 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3ag1 h PRO 90 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3ag1 h PRO 90 CO 0.69 0.02 0.00 -3.47 -0.23 0.00 0.00 178.00 175.02 3ag1 n ASP 91 N -3.11 0.00 -4.82 1.44 -0.08 -1.26 -4.65 116.55 104.07 3ag1 n ASP 91 Ca 0.03 -0.75 -0.30 0.00 -1.51 0.00 0.00 54.79 52.25 3ag1 n ASP 91 Cb 0.46 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.99 3ag1 n ASP 91 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3ag1 s MET 92 N -1.25 2.58 0.32 -0.67 -1.94 -1.26 -4.87 119.30 112.21 3ag1 s MET 92 Ca 0.00 0.75 0.02 0.00 -1.71 0.00 0.00 55.69 54.75 3ag1 s MET 92 Cb 0.00 -1.97 0.55 0.00 2.01 0.00 0.00 34.83 35.42 3ag1 s MET 92 CO 0.00 -1.30 1.88 0.00 -0.01 0.00 0.00 175.02 175.59 3ag1 h ALA 93 N -0.86 1.35 -2.51 3.03 0.00 -1.93 -3.35 119.26 115.00 3ag1 h ALA 93 Ca -0.45 -0.18 -0.60 0.00 0.00 0.00 0.00 54.91 53.68 3ag1 h ALA 93 Cb 1.24 -0.18 -0.41 0.00 0.00 0.00 0.00 17.79 18.44 3ag1 h ALA 93 CO 0.59 0.46 -0.76 1.19 0.00 0.00 0.00 179.25 180.73 3ag1 n PHE 94 N -4.30 1.82 0.22 0.00 3.72 -1.26 -4.98 117.46 112.67 3ag1 n PHE 94 Ca 0.03 -3.92 0.09 0.00 -0.05 0.00 0.00 57.45 53.59 3ag1 n PHE 94 Cb 0.21 -0.36 0.46 0.00 -0.94 0.00 0.00 39.48 38.85 3ag1 n PHE 94 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3ag1 h PRO 95 N 4.89 0.00 0.01 -1.08 0.11 -1.90 -0.57 132.00 133.46 3ag1 h PRO 95 Ca 0.18 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 3ag1 h PRO 95 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3ag1 h PRO 95 CO 0.63 0.27 -0.14 -0.09 -0.21 0.00 0.00 178.00 178.45 3ag1 h ARG 96 N 0.00 0.07 -0.90 1.05 2.43 -1.87 -3.12 114.38 112.04 3ag1 h ARG 96 Ca -0.00 -0.10 0.10 0.00 -0.81 0.00 0.00 59.98 59.17 3ag1 h ARG 96 Cb 0.71 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.23 3ag1 h ARG 96 CO 0.03 0.94 0.58 1.98 -1.51 0.00 0.00 179.97 181.99 3ag1 h MET 97 N -0.75 0.84 -0.66 0.20 4.05 -1.91 -1.90 114.93 114.79 3ag1 h MET 97 Ca -0.02 -0.05 0.14 0.00 -0.28 0.00 0.00 59.70 59.49 3ag1 h MET 97 Cb 1.00 -0.19 -0.10 0.00 -0.80 0.00 0.00 31.60 31.51 3ag1 h MET 97 CO 0.03 0.55 0.09 -0.97 0.23 0.00 0.00 176.91 176.84 3ag1 h ASN 98 N 0.86 -0.12 -0.16 1.39 -1.24 -1.17 -0.39 115.58 114.75 3ag1 h ASN 98 Ca 0.42 0.14 0.04 0.00 0.71 0.00 0.00 56.30 57.62 3ag1 h ASN 98 Cb 0.45 0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.72 3ag1 h ASN 98 CO -0.19 -0.07 0.12 -1.13 -1.29 0.00 0.00 177.43 174.88 3ag1 h ASN 99 N 0.20 0.03 0.40 1.15 -1.24 -1.28 -1.73 115.58 113.12 3ag1 h ASN 99 Ca 0.36 -0.00 -0.19 0.00 0.71 0.00 0.00 56.30 57.18 3ag1 h ASN 99 Cb 0.59 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 3ag1 h ASN 99 CO -0.50 0.02 -0.81 -0.03 -1.29 0.00 0.00 177.43 174.82 3ag1 h MET 100 N 0.04 0.31 -0.68 6.67 4.05 -1.04 -1.37 114.93 122.90 3ag1 h MET 100 Ca 0.08 -0.29 0.06 0.00 -0.28 0.00 0.00 59.70 59.26 3ag1 h MET 100 Cb 0.26 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.07 3ag1 h MET 100 CO -0.00 0.97 0.38 0.77 0.23 0.00 0.00 176.91 179.26 3ag1 h SER 101 N 0.19 0.57 0.17 1.39 0.02 -0.72 -0.63 113.55 114.55 3ag1 h SER 101 Ca -0.04 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3ag1 h SER 101 Cb 1.41 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.87 3ag1 h SER 101 CO 0.13 0.37 -0.08 0.15 -1.14 0.00 0.00 176.83 176.26 3ag1 h PHE 102 N 0.71 -0.22 0.00 3.45 3.57 -1.25 -3.31 116.94 119.89 3ag1 h PHE 102 Ca 0.31 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 3ag1 h PHE 102 Cb 0.19 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 3ag1 h PHE 102 CO -0.07 -0.10 -0.02 -1.49 -2.23 0.00 0.00 178.31 174.40 3ag1 h TRP 103 N -0.28 0.00 0.00 0.41 4.06 -0.61 -0.55 115.95 118.99 3ag1 h TRP 103 Ca -0.02 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.89 3ag1 h TRP 103 Cb 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.37 3ag1 h TRP 103 CO -0.05 0.02 -0.16 -0.07 -3.56 0.00 0.00 178.44 174.62 3ag1 h LEU 104 N 0.00 0.00 -0.10 -4.49 3.38 -1.22 -3.35 115.31 109.53 3ag1 h LEU 104 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3ag1 h LEU 104 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ag1 h LEU 104 CO 0.00 0.16 -0.40 -0.07 0.09 0.00 0.00 178.44 178.22 3ag1 h LEU 105 N 0.00 0.52 -0.35 1.67 3.38 -1.22 -1.80 115.31 117.51 3ag1 h LEU 105 Ca -0.00 -0.63 0.03 0.00 0.09 0.00 0.00 57.88 57.36 3ag1 h LEU 105 Cb 0.36 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3ag1 h LEU 105 CO 0.02 1.07 0.17 -0.65 0.09 0.00 0.00 178.44 179.13 3ag1 h PRO 106 N 0.00 0.34 -0.89 1.13 0.11 -1.73 0.41 132.00 131.38 3ag1 h PRO 106 Ca -0.02 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.11 3ag1 h PRO 106 Cb 1.04 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.02 3ag1 h PRO 106 CO 0.08 0.22 0.57 -1.35 -0.21 0.00 0.00 178.00 177.31 3ag1 h PRO 107 N 0.35 1.05 -0.46 1.05 0.11 -1.72 0.47 132.00 132.85 3ag1 h PRO 107 Ca 0.15 -0.06 0.07 0.00 0.11 0.00 0.00 66.00 66.27 3ag1 h PRO 107 Cb 0.06 -0.24 -0.06 0.00 0.11 0.00 0.00 31.00 30.87 3ag1 h PRO 107 CO -0.11 0.70 0.10 1.03 -0.21 0.00 0.00 178.00 179.51 3ag1 h SER 108 N 1.09 0.02 0.00 -2.05 0.87 -0.69 -0.71 113.55 112.08 3ag1 h SER 108 Ca 0.36 0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.89 3ag1 h SER 108 Cb 0.05 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3ag1 h SER 108 CO -0.13 0.04 -0.33 0.15 -0.53 0.00 0.00 176.83 176.03 3ag1 h PHE 109 N 0.24 0.53 -0.46 2.24 -0.00 0.92 -2.53 116.94 117.89 3ag1 h PHE 109 Ca 0.23 -0.13 0.01 0.00 -0.00 0.00 0.00 57.97 58.07 3ag1 h PHE 109 Cb 0.29 -0.12 -0.02 0.00 -0.00 0.00 0.00 35.95 36.09 3ag1 h PHE 109 CO -0.21 0.74 0.30 1.25 -0.00 0.00 0.00 178.31 180.39 3ag1 h LEU 110 N 0.40 0.51 -1.07 0.59 5.85 0.87 -1.04 115.31 121.41 3ag1 h LEU 110 Ca 0.05 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3ag1 h LEU 110 Cb 0.77 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3ag1 h LEU 110 CO 0.06 0.37 0.37 -0.07 -0.34 0.00 0.00 178.44 178.83 3ag1 h LEU 111 N 0.61 0.92 -0.16 2.25 3.38 -0.84 -0.10 115.31 121.36 3ag1 h LEU 111 Ca 0.17 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ag1 h LEU 111 Cb -0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3ag1 h LEU 111 CO -0.04 0.76 0.05 0.25 0.09 0.00 0.00 178.44 179.54 3ag1 h LEU 112 N 1.02 0.24 -0.91 1.67 5.85 -1.09 -1.24 115.31 120.84 3ag1 h LEU 112 Ca 0.25 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3ag1 h LEU 112 Cb 0.07 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3ag1 h LEU 112 CO -0.04 0.39 0.52 -0.07 -0.34 0.00 0.00 178.44 178.90 3ag1 h LEU 113 N 0.08 1.12 -1.09 2.25 3.38 -0.80 -2.18 115.31 118.08 3ag1 h LEU 113 Ca 0.05 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3ag1 h LEU 113 Cb 0.23 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3ag1 h LEU 113 CO -0.00 0.88 0.62 0.00 0.09 0.00 0.00 178.44 180.03 3ag1 h ALA 114 N 1.29 1.40 -0.75 1.53 0.00 -0.95 -1.79 119.26 119.99 3ag1 h ALA 114 Ca 0.32 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.35 3ag1 h ALA 114 Cb -0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.40 3ag1 h ALA 114 CO -0.06 0.50 0.51 0.66 0.00 0.00 0.00 179.25 180.86 3ag1 h SER 115 N 1.18 0.32 0.61 0.00 4.64 -0.55 -2.04 113.55 117.72 3ag1 h SER 115 Ca 0.38 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3ag1 h SER 115 Cb 0.02 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3ag1 h SER 115 CO -0.12 0.16 -0.74 -1.54 -0.87 0.00 0.00 176.83 173.72 3ag1 n SER 116 N -4.46 0.63 0.13 4.97 3.41 -0.70 -3.72 113.62 113.88 3ag1 n SER 116 Ca 0.15 -0.10 -0.23 0.00 -0.26 0.00 0.00 58.87 58.42 3ag1 n SER 116 Cb 0.59 0.41 -0.15 0.00 -0.26 0.00 0.00 64.21 64.79 3ag1 n SER 116 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3ag1 h MET 117 N 0.00 0.48 -6.64 4.33 2.86 -1.11 -3.39 114.93 111.45 3ag1 h MET 117 Ca 0.00 -0.81 -0.47 0.00 -2.06 0.00 0.00 59.70 56.36 3ag1 h MET 117 Cb 0.68 0.30 0.02 0.00 0.06 0.00 0.00 31.60 32.66 3ag1 h MET 117 CO 0.00 1.38 -0.12 0.14 1.06 0.00 0.00 176.91 179.37 3ag1 s VAL 118 N -2.61 4.53 0.00 -2.22 -7.23 -0.82 -4.87 120.40 107.18 3ag1 s VAL 118 Ca -0.09 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 3ag1 s VAL 118 Cb 0.05 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.32 3ag1 s VAL 118 CO 0.92 -0.47 0.00 -0.62 -0.31 0.00 0.00 175.10 174.62 3ag1 n GLU 119 N -1.97 0.00 -0.55 4.82 -0.58 -1.26 -1.91 120.64 119.20 3ag1 n GLU 119 Ca -0.01 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.81 3ag1 n GLU 119 Cb 0.57 0.00 0.29 0.00 -0.57 0.00 0.00 31.44 31.73 3ag1 n GLU 119 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ag1 n ALA 120 N 6.21 3.16 -0.49 0.62 0.00 -1.26 -5.08 120.51 123.67 3ag1 n ALA 120 Ca 0.00 -2.08 0.07 0.00 0.00 0.00 0.00 53.44 51.43 3ag1 n ALA 120 Cb 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 3ag1 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ag1 n GLY 121 N -0.04 -1.56 3.39 0.00 0.00 -0.80 -4.75 105.19 101.43 3ag1 n GLY 121 Ca 0.22 -1.41 -0.44 0.00 0.00 0.00 0.00 46.02 44.40 3ag1 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag1 s ALA 122 N -1.53 3.54 -0.76 4.61 0.00 -1.26 -4.80 121.76 121.56 3ag1 s ALA 122 Ca 0.00 -2.07 0.02 0.00 0.00 0.00 0.00 51.96 49.91 3ag1 s ALA 122 Cb 0.00 -3.10 0.34 0.00 0.00 0.00 0.00 23.12 20.36 3ag1 s ALA 122 CO 0.00 -1.75 1.39 0.41 0.00 0.00 0.00 175.76 175.81 3ag1 n GLY 123 N 5.20 5.85 0.00 0.00 0.00 -1.26 -4.20 105.19 110.78 3ag1 n GLY 123 Ca -0.12 -2.68 0.04 0.00 0.00 0.00 0.00 46.02 43.26 3ag1 n GLY 123 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ag1 n THR 124 N -0.22 0.00 -0.25 2.61 -2.24 -1.26 -4.79 114.28 108.13 3ag1 n THR 124 Ca 0.40 -0.25 0.03 0.00 -2.27 0.00 0.00 64.05 61.96 3ag1 n THR 124 Cb 0.35 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.23 3ag1 n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ag1 n GLY 125 N 1.61 -2.65 0.06 3.38 0.00 -1.26 -4.09 105.19 102.25 3ag1 n GLY 125 Ca 0.00 -1.39 0.11 0.00 0.00 0.00 0.00 46.02 44.74 3ag1 n GLY 125 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3ag1 n TRP 126 N -2.46 0.46 0.21 1.61 4.27 -1.26 -1.71 117.44 118.55 3ag1 n TRP 126 Ca -0.02 0.16 0.09 0.00 -3.89 0.00 0.00 57.50 53.85 3ag1 n TRP 126 Cb 0.12 -0.76 0.29 0.00 -1.36 0.00 0.00 31.31 29.60 3ag1 n TRP 126 CO 0.00 0.00 0.00 1.79 -2.29 0.00 0.00 177.69 177.19 3ag1 h THR 127 N 0.00 0.41 -5.22 -1.67 1.35 -1.98 -3.48 112.91 102.32 3ag1 h THR 127 Ca 0.00 -1.31 -0.41 0.00 -0.55 0.00 0.00 66.41 64.14 3ag1 h THR 127 Cb 0.42 1.98 0.05 0.00 -1.73 0.00 0.00 68.15 68.87 3ag1 h THR 127 CO 0.00 0.21 -0.64 0.52 -0.25 0.00 0.00 175.52 175.35 3ag1 n VAL 128 N -3.23 -2.13 -2.10 6.82 0.31 -0.69 -4.88 118.33 112.43 3ag1 n VAL 128 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 3ag1 n VAL 128 Cb 0.52 -3.30 -0.03 0.00 -0.91 0.00 0.00 33.84 30.12 3ag1 n VAL 128 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ag1 s TYR 129 N -3.20 3.14 0.66 3.52 4.12 -1.26 -4.70 117.35 119.63 3ag1 s TYR 129 Ca 0.44 0.83 -0.11 0.00 0.02 0.00 0.00 57.07 58.25 3ag1 s TYR 129 Cb -0.21 -3.76 -0.01 0.00 -1.52 0.00 0.00 41.96 36.46 3ag1 s TYR 129 CO 0.55 -2.73 1.05 -1.25 0.02 0.00 0.00 175.55 173.19 3ag1 s PRO 130 N 1.25 3.21 0.15 -1.71 0.04 -1.26 -1.97 135.00 134.72 3ag1 s PRO 130 Ca 0.66 0.87 0.23 0.00 0.04 0.00 0.00 61.00 62.80 3ag1 s PRO 130 Cb -0.38 -2.03 0.90 0.00 0.04 0.00 0.00 34.50 33.02 3ag1 s PRO 130 CO 0.30 -0.88 1.70 -2.30 0.04 0.00 0.00 177.00 175.87 3ag1 n PRO 131 N -2.97 0.14 -0.33 0.56 -0.02 -1.26 -4.83 135.00 126.28 3ag1 n PRO 131 Ca 0.07 0.27 0.09 0.00 -2.02 0.00 0.00 63.50 61.91 3ag1 n PRO 131 Cb 0.54 -1.71 0.25 0.00 -0.02 0.00 0.00 33.50 32.56 3ag1 n PRO 131 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ag1 h LEU 132 N 0.00 0.72 -0.39 2.45 5.85 -1.93 0.37 115.31 122.38 3ag1 h LEU 132 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ag1 h LEU 132 Cb 0.44 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3ag1 h LEU 132 CO 0.00 0.32 -0.01 0.00 -0.34 0.00 0.00 178.44 178.40 3ag1 n ALA 133 N -2.37 2.65 -1.22 1.25 0.00 -0.83 -3.55 120.51 116.44 3ag1 n ALA 133 Ca 0.19 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 3ag1 n ALA 133 Cb 0.45 -1.36 0.07 0.00 0.00 0.00 0.00 19.45 18.61 3ag1 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ag1 n GLY 134 N 1.10 -1.62 0.04 0.00 0.00 0.13 -4.74 105.19 100.11 3ag1 n GLY 134 Ca 0.21 -1.62 0.13 0.00 0.00 0.00 0.00 46.02 44.74 3ag1 n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ag1 n ASN 135 N -3.37 0.47 -0.06 1.61 0.23 -1.26 -1.38 115.26 111.50 3ag1 n ASN 135 Ca 0.05 0.32 -0.02 0.00 -0.53 0.00 0.00 54.58 54.40 3ag1 n ASN 135 Cb 0.19 -0.33 -0.01 0.00 -2.08 0.00 0.00 39.78 37.55 3ag1 n ASN 135 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3ag1 h LEU 136 N 0.00 0.00 -0.85 -4.53 5.85 -1.93 -2.95 115.31 110.90 3ag1 h LEU 136 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ag1 h LEU 136 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3ag1 h LEU 136 CO 0.00 0.59 0.00 0.00 -0.34 0.00 0.00 178.44 178.69 3ag1 h ALA 137 N -1.04 1.00 -1.55 1.25 0.00 -1.75 -3.27 119.26 113.89 3ag1 h ALA 137 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 3ag1 h ALA 137 Cb 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 17.68 3ag1 h ALA 137 CO 0.00 0.00 -1.00 0.72 0.00 0.00 0.00 179.25 178.97 3ag1 n HIS 138 N -2.61 -0.77 -1.93 0.00 8.25 -0.48 -4.92 115.22 112.77 3ag1 n HIS 138 Ca 0.02 -3.30 -0.38 0.00 -0.26 0.00 0.00 57.72 53.80 3ag1 n HIS 138 Cb 0.30 0.06 0.02 0.00 1.12 0.00 0.00 29.99 31.49 3ag1 n HIS 138 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ag1 s ALA 139 N -1.30 2.98 0.00 -1.41 0.00 -1.12 -4.46 121.76 116.46 3ag1 s ALA 139 Ca 0.35 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.57 3ag1 s ALA 139 Cb 0.26 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.86 3ag1 s ALA 139 CO -0.11 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 174.95 3ag1 n GLY 140 N 0.63 -3.50 0.04 0.00 0.00 -1.26 -4.74 105.19 96.36 3ag1 n GLY 140 Ca 0.08 -2.06 0.14 0.00 0.00 0.00 0.00 46.02 44.18 3ag1 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag1 n ALA 141 N 0.60 2.37 -0.07 4.61 0.00 -1.26 -4.25 120.51 122.50 3ag1 n ALA 141 Ca 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 3ag1 n ALA 141 Cb 0.00 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 17.99 3ag1 n ALA 141 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3ag1 h SER 142 N 0.00 0.08 -0.28 0.00 0.02 -1.85 -1.56 113.55 109.95 3ag1 h SER 142 Ca 0.00 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 3ag1 h SER 142 Cb 0.59 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 3ag1 h SER 142 CO 0.00 0.08 -0.18 0.58 -1.14 0.00 0.00 176.83 176.17 3ag1 h VAL 143 N 0.20 1.26 -0.58 2.27 2.07 -1.86 -1.70 116.25 117.91 3ag1 h VAL 143 Ca 0.12 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 3ag1 h VAL 143 Cb 0.10 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3ag1 h VAL 143 CO -0.13 0.42 0.20 0.44 0.02 0.00 0.00 177.57 178.51 3ag1 h ASP 144 N 0.65 0.78 0.18 0.57 3.45 -1.62 -0.58 116.42 119.85 3ag1 h ASP 144 Ca 0.10 -0.12 -0.11 0.00 0.43 0.00 0.00 57.03 57.34 3ag1 h ASP 144 Cb 0.66 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 3ag1 h ASP 144 CO 0.05 0.73 -0.39 -0.07 -1.57 0.00 0.00 179.24 177.99 3ag1 h LEU 145 N 0.83 0.30 -0.07 1.55 3.38 -0.90 -1.58 115.31 118.82 3ag1 h LEU 145 Ca 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3ag1 h LEU 145 Cb 0.21 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ag1 h LEU 145 CO -0.01 0.66 -0.00 0.74 0.09 0.00 0.00 178.44 179.92 3ag1 h THR 146 N 0.24 1.26 -0.24 0.22 2.02 -0.47 -1.68 112.91 114.27 3ag1 h THR 146 Ca 0.02 -0.81 0.05 0.00 0.77 0.00 0.00 66.41 66.44 3ag1 h THR 146 Cb 0.80 1.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.83 3ag1 h THR 146 CO 0.06 0.22 -0.06 0.40 0.37 0.00 0.00 175.52 176.52 3ag1 h ILE 147 N -0.17 0.76 -0.21 3.11 2.04 -1.05 -1.56 117.51 120.43 3ag1 h ILE 147 Ca 0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 3ag1 h ILE 147 Cb 0.35 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3ag1 h ILE 147 CO 0.00 0.00 0.02 -0.26 0.00 0.00 0.00 178.15 177.91 3ag1 h PHE 148 N -0.00 0.30 -0.81 1.37 0.04 -1.25 0.11 116.94 116.70 3ag1 h PHE 148 Ca 0.11 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 3ag1 h PHE 148 Cb 0.17 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.19 3ag1 h PHE 148 CO -0.24 0.30 0.41 1.03 -0.60 0.00 0.00 178.31 179.21 3ag1 h SER 149 N 0.30 1.03 0.36 2.17 0.87 -0.53 -1.51 113.55 116.24 3ag1 h SER 149 Ca 0.07 -0.12 -0.23 0.00 -1.23 0.00 0.00 61.79 60.28 3ag1 h SER 149 Cb 0.17 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3ag1 h SER 149 CO 0.00 0.86 -0.99 -0.07 -0.53 0.00 0.00 176.83 176.10 3ag1 h LEU 150 N 1.13 0.53 -0.49 2.23 3.38 -0.29 -0.93 115.31 120.88 3ag1 h LEU 150 Ca 0.28 -0.45 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3ag1 h LEU 150 Cb 0.08 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3ag1 h LEU 150 CO -0.04 1.25 0.13 0.45 0.09 0.00 0.00 178.44 180.32 3ag1 h HIS 151 N 0.22 0.21 -0.37 1.13 3.86 -0.55 -0.34 115.15 119.31 3ag1 h HIS 151 Ca -0.09 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.03 3ag1 h HIS 151 Cb 1.63 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 30.07 3ag1 h HIS 151 CO 0.06 0.04 -0.25 -0.07 0.86 0.00 0.00 177.93 178.57 3ag1 h LEU 152 N 0.28 0.85 -1.00 2.43 3.38 -1.04 -1.39 115.31 118.81 3ag1 h LEU 152 Ca 0.24 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3ag1 h LEU 152 Cb 0.29 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3ag1 h LEU 152 CO -0.29 1.10 0.41 0.00 0.09 0.00 0.00 178.44 179.76 3ag1 h ALA 153 N 0.78 1.23 -0.71 1.53 0.00 -1.04 -1.41 119.26 119.64 3ag1 h ALA 153 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ag1 h ALA 153 Cb 0.81 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3ag1 h ALA 153 CO 0.07 0.61 0.42 0.78 0.00 0.00 0.00 179.25 181.13 3ag1 h GLY 154 N 1.15 1.03 1.03 0.00 0.00 -0.85 -1.77 103.07 103.66 3ag1 h GLY 154 Ca 0.28 -0.43 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 3ag1 h GLY 154 CO -0.04 0.42 -0.29 -2.08 0.00 0.00 0.00 176.54 174.54 3ag1 h VAL 155 N 0.96 1.29 -0.69 4.60 2.07 -0.95 -1.16 116.25 122.37 3ag1 h VAL 155 Ca 0.25 -1.45 0.11 0.00 0.82 0.00 0.00 66.70 66.43 3ag1 h VAL 155 Cb -0.02 1.45 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 3ag1 h VAL 155 CO -0.05 0.48 0.29 -1.28 0.02 0.00 0.00 177.57 177.03 3ag1 h SER 156 N 0.59 0.30 0.41 0.57 0.87 -0.99 -1.17 113.55 114.12 3ag1 h SER 156 Ca 0.06 0.09 -0.24 0.00 -1.23 0.00 0.00 61.79 60.47 3ag1 h SER 156 Cb 0.87 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 3ag1 h SER 156 CO 0.08 0.15 -1.02 0.28 -0.53 0.00 0.00 176.83 175.79 3ag1 h SER 157 N 0.47 0.51 -0.42 6.23 0.02 -1.10 -1.68 113.55 117.57 3ag1 h SER 157 Ca 0.36 -0.44 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 3ag1 h SER 157 Cb 0.47 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3ag1 h SER 157 CO -0.34 1.26 -0.03 0.40 -1.14 0.00 0.00 176.83 176.98 3ag1 h ILE 158 N 0.19 1.27 0.00 3.27 2.04 -0.90 0.84 117.51 124.22 3ag1 h ILE 158 Ca -0.09 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.61 3ag1 h ILE 158 Cb 1.68 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 3ag1 h ILE 158 CO 0.17 0.37 -0.39 -0.07 0.00 0.00 0.00 178.15 178.23 3ag1 h LEU 159 N 0.59 0.00 -0.49 1.44 3.38 -1.22 -2.57 115.31 116.44 3ag1 h LEU 159 Ca 0.12 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 3ag1 h LEU 159 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3ag1 h LEU 159 CO 0.03 0.39 -0.62 1.23 0.09 0.00 0.00 178.44 179.56 3ag1 h GLY 160 N 1.74 0.52 1.23 0.83 0.00 -0.79 -2.47 103.07 104.14 3ag1 h GLY 160 Ca -0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 47.33 46.53 3ag1 h GLY 160 CO 0.05 0.58 -0.38 0.00 0.00 0.00 0.00 176.54 176.79 3ag1 h ALA 161 N 0.98 0.66 -0.47 3.60 0.00 -0.50 -0.44 119.26 123.10 3ag1 h ALA 161 Ca -0.01 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 3ag1 h ALA 161 Cb 1.17 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3ag1 h ALA 161 CO 0.11 0.67 0.10 0.82 0.00 0.00 0.00 179.25 180.95 3ag1 h ILE 162 N 0.69 1.24 0.22 0.00 2.04 -1.40 0.89 117.51 121.19 3ag1 h ILE 162 Ca 0.06 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 3ag1 h ILE 162 Cb 0.95 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3ag1 h ILE 162 CO 0.09 0.31 -0.13 -1.13 0.00 0.00 0.00 178.15 177.28 3ag1 h ASN 163 N 0.63 -0.33 -0.65 1.72 -0.73 -1.23 -1.60 115.58 113.40 3ag1 h ASN 163 Ca 0.14 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.33 3ag1 h ASN 163 Cb 0.35 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 39.01 3ag1 h ASN 163 CO 0.00 -0.22 0.40 -0.26 -0.37 0.00 0.00 177.43 176.98 3ag1 h PHE 164 N -0.34 0.84 -0.32 0.67 -1.00 -0.84 0.30 116.94 116.25 3ag1 h PHE 164 Ca -0.02 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.68 3ag1 h PHE 164 Cb 0.28 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 3ag1 h PHE 164 CO -0.09 0.57 -0.12 0.82 -1.61 0.00 0.00 178.31 177.88 3ag1 h ILE 165 N 0.88 1.29 -0.50 -0.55 2.04 -0.76 -1.53 117.51 118.38 3ag1 h ILE 165 Ca 0.23 -1.21 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 3ag1 h ILE 165 Cb -0.04 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3ag1 h ILE 165 CO -0.04 0.39 0.26 0.74 0.00 0.00 0.00 178.15 179.50 3ag1 h THR 166 N 0.42 1.18 0.06 -0.27 2.02 -1.19 -1.52 112.91 113.61 3ag1 h THR 166 Ca 0.08 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 3ag1 h THR 166 Cb 0.64 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3ag1 h THR 166 CO 0.04 0.20 -0.03 0.74 0.37 0.00 0.00 175.52 176.84 3ag1 h THR 167 N 0.66 0.95 -0.66 3.16 2.02 -0.80 0.10 112.91 118.34 3ag1 h THR 167 Ca 0.17 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.28 3ag1 h THR 167 Cb 0.08 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 3ag1 h THR 167 CO -0.03 0.01 0.25 0.40 0.37 0.00 0.00 175.52 176.52 3ag1 h ILE 168 N -0.09 1.23 0.12 3.11 2.04 -1.17 0.11 117.51 122.86 3ag1 h ILE 168 Ca -0.01 -0.76 -0.27 0.00 1.00 0.00 0.00 64.86 64.82 3ag1 h ILE 168 Cb 0.07 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3ag1 h ILE 168 CO 0.01 0.30 -1.21 0.40 0.00 0.00 0.00 178.15 177.65 3ag1 h ILE 169 N 0.96 1.50 0.00 -0.67 1.08 -1.29 -3.40 117.51 115.70 3ag1 h ILE 169 Ca 0.22 -3.03 -0.11 0.00 -0.39 0.00 0.00 64.86 61.55 3ag1 h ILE 169 Cb 0.21 2.91 -0.02 0.00 -3.07 0.00 0.00 36.82 36.85 3ag1 h ILE 169 CO -0.02 0.89 -2.01 -3.20 -0.69 0.00 0.00 178.15 173.12 3ag1 n ASN 170 N -3.54 0.53 -0.70 1.72 5.15 0.02 -4.69 115.26 113.75 3ag1 n ASN 170 Ca -0.08 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 53.94 3ag1 n ASN 170 Cb 1.01 1.59 0.20 0.00 -0.53 0.00 0.00 39.78 42.04 3ag1 n ASN 170 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3ag1 n MET 171 N -2.34 1.68 -2.08 1.20 0.00 0.37 -5.01 117.12 110.95 3ag1 n MET 171 Ca -0.12 -3.15 -0.31 0.00 0.00 0.00 0.00 57.70 54.12 3ag1 n MET 171 Cb 0.70 -1.67 0.00 0.00 0.00 0.00 0.00 33.22 32.25 3ag1 n MET 171 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3ag1 s LYS 172 N -3.17 3.65 0.31 0.03 1.02 -1.26 -4.43 119.74 115.88 3ag1 s LYS 172 Ca 0.39 0.70 -0.29 0.00 0.02 0.00 0.00 55.97 56.79 3ag1 s LYS 172 Cb 0.37 -2.14 -0.13 0.00 -0.52 0.00 0.00 37.83 35.41 3ag1 s LYS 172 CO -0.03 -0.46 1.25 -2.30 -0.92 0.00 0.00 175.35 172.89 3ag1 n PRO 173 N -2.47 1.93 -0.09 -1.68 -0.02 -1.26 -4.86 135.00 126.56 3ag1 n PRO 173 Ca 0.05 0.68 0.25 0.00 -2.02 0.00 0.00 63.50 62.46 3ag1 n PRO 173 Cb 0.54 -2.23 0.71 0.00 -0.02 0.00 0.00 33.50 32.51 3ag1 n PRO 173 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ag1 h PRO 174 N 2.75 0.00 0.00 0.52 0.11 -1.95 -0.19 132.00 133.24 3ag1 h PRO 174 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ag1 h PRO 174 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3ag1 h PRO 174 CO 0.65 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.40 3ag1 n ALA 175 N -2.64 2.35 -2.71 -0.75 0.00 -1.26 -4.87 120.51 110.63 3ag1 n ALA 175 Ca 0.14 -0.06 -0.38 0.00 0.00 0.00 0.00 53.44 53.14 3ag1 n ALA 175 Cb 0.80 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 3ag1 n ALA 175 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3ag1 s MET 176 N -3.07 4.31 0.58 0.00 0.00 -0.09 -4.94 119.30 116.09 3ag1 s MET 176 Ca 0.11 0.46 -0.02 0.00 0.00 0.00 0.00 55.69 56.24 3ag1 s MET 176 Cb 0.14 -3.47 0.03 0.00 0.00 0.00 0.00 34.83 31.54 3ag1 s MET 176 CO 0.59 0.07 0.84 -1.54 0.00 0.00 0.00 175.02 174.98 3ag1 s SER 177 N 0.77 5.27 0.58 1.11 1.04 -1.26 -4.78 113.70 116.42 3ag1 s SER 177 Ca 0.26 0.23 0.28 0.00 0.48 0.00 0.00 55.95 57.20 3ag1 s SER 177 Cb -0.15 -1.12 1.53 0.00 0.10 0.00 0.00 66.02 66.38 3ag1 s SER 177 CO 0.10 -1.19 2.00 -0.61 0.98 0.00 0.00 173.24 174.52 3ag1 h GLN 178 N -0.09 0.00 -0.50 4.02 5.75 -1.97 0.16 115.11 122.49 3ag1 h GLN 178 Ca -0.44 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 3ag1 h GLN 178 Cb 1.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 3ag1 h GLN 178 CO 0.56 0.00 0.00 0.66 -2.65 0.00 0.00 178.83 177.40 3ag1 n TYR 179 N -3.88 0.58 -1.17 3.99 4.01 -1.26 -2.88 117.16 116.55 3ag1 n TYR 179 Ca 0.06 -0.24 0.09 0.00 -0.16 0.00 0.00 57.90 57.65 3ag1 n TYR 179 Cb 0.52 -0.10 0.14 0.00 -0.31 0.00 0.00 39.34 39.58 3ag1 n TYR 179 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3ag1 n GLN 180 N 0.35 1.24 -3.97 -0.72 6.02 0.04 -5.05 117.38 115.29 3ag1 n GLN 180 Ca 0.11 -2.57 -0.29 0.00 -0.01 0.00 0.00 57.00 54.23 3ag1 n GLN 180 Cb 0.40 -1.46 -0.04 0.00 1.02 0.00 0.00 30.24 30.16 3ag1 n GLN 180 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ag1 s THR 181 N -2.76 5.11 0.74 5.09 -4.23 -1.14 -4.91 115.64 113.53 3ag1 s THR 181 Ca 0.31 -0.59 -0.14 0.00 -1.18 0.00 0.00 61.69 60.09 3ag1 s THR 181 Cb 0.28 -3.52 0.04 0.00 1.34 0.00 0.00 72.50 70.64 3ag1 s THR 181 CO 0.02 0.07 1.16 -2.84 -0.54 0.00 0.00 174.62 172.49 3ag1 s PRO 182 N -2.68 2.18 0.49 3.99 0.02 -1.26 -4.85 135.00 132.89 3ag1 s PRO 182 Ca 0.33 1.57 0.17 0.00 0.02 0.00 0.00 61.00 63.09 3ag1 s PRO 182 Cb -0.12 -1.86 1.19 0.00 0.02 0.00 0.00 34.50 33.73 3ag1 s PRO 182 CO 0.26 -1.76 2.06 -0.07 -0.33 0.00 0.00 177.00 177.16 3ag1 h LEU 183 N -0.50 0.15 -0.55 -5.54 3.38 -1.98 -1.81 115.31 108.45 3ag1 h LEU 183 Ca -0.46 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 3ag1 h LEU 183 Cb 1.27 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3ag1 h LEU 183 CO 0.50 0.10 0.16 0.15 0.09 0.00 0.00 178.44 179.44 3ag1 h PHE 184 N 0.17 0.90 -0.28 1.13 3.57 -1.92 0.01 116.94 120.53 3ag1 h PHE 184 Ca 0.15 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.59 3ag1 h PHE 184 Cb 0.39 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3ag1 h PHE 184 CO -0.00 0.77 0.08 0.28 -2.23 0.00 0.00 178.31 177.21 3ag1 h VAL 185 N 0.78 0.91 -0.66 1.41 2.07 -1.70 -1.70 116.25 117.36 3ag1 h VAL 185 Ca 0.18 -0.07 0.13 0.00 0.82 0.00 0.00 66.70 67.75 3ag1 h VAL 185 Cb 0.30 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 30.67 3ag1 h VAL 185 CO -0.00 0.04 0.18 -0.50 0.02 0.00 0.00 177.57 177.30 3ag1 h TRP 186 N 0.20 0.29 -0.35 1.57 4.06 -1.27 0.10 115.95 120.56 3ag1 h TRP 186 Ca 0.12 0.04 -0.10 0.00 2.06 0.00 0.00 58.89 61.01 3ag1 h TRP 186 Cb 0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 3ag1 h TRP 186 CO -0.14 -0.01 -0.21 0.66 -3.56 0.00 0.00 178.44 175.18 3ag1 h SER 187 N 0.31 0.67 -0.04 -3.49 4.64 -0.41 -1.43 113.55 113.80 3ag1 h SER 187 Ca 0.35 -0.23 -0.24 0.00 -0.47 0.00 0.00 61.79 61.21 3ag1 h SER 187 Cb 0.54 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3ag1 h SER 187 CO -0.41 0.88 -0.87 0.58 -0.87 0.00 0.00 176.83 176.13 3ag1 h VAL 188 N 0.59 1.29 -0.64 0.95 2.07 -0.89 -1.14 116.25 118.49 3ag1 h VAL 188 Ca 0.09 -2.10 -0.06 0.00 0.82 0.00 0.00 66.70 65.45 3ag1 h VAL 188 Cb 0.68 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 3ag1 h VAL 188 CO 0.05 0.66 0.18 -0.03 0.02 0.00 0.00 177.57 178.45 3ag1 h MET 189 N 0.46 1.00 -0.41 1.57 -1.53 -0.35 -1.21 114.93 114.47 3ag1 h MET 189 Ca -0.08 -0.23 -0.03 0.00 -3.44 0.00 0.00 59.70 55.93 3ag1 h MET 189 Cb 1.50 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 32.40 3ag1 h MET 189 CO 0.17 0.89 0.14 0.82 0.14 0.00 0.00 176.91 179.08 3ag1 h ILE 190 N 0.93 1.21 -0.73 1.77 2.04 -1.20 -1.07 117.51 120.45 3ag1 h ILE 190 Ca 0.20 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.44 3ag1 h ILE 190 Cb 0.32 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 3ag1 h ILE 190 CO -0.00 0.24 0.44 0.74 0.00 0.00 0.00 178.15 179.57 3ag1 h THR 191 N 0.51 1.04 -0.72 -0.27 2.02 -1.05 -1.12 112.91 113.32 3ag1 h THR 191 Ca 0.13 -0.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 3ag1 h THR 191 Cb 0.24 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 3ag1 h THR 191 CO -0.01 0.15 0.29 0.00 0.37 0.00 0.00 175.52 176.32 3ag1 h ALA 192 N 1.35 1.16 -0.27 6.16 0.00 -0.63 -0.44 119.26 126.58 3ag1 h ALA 192 Ca 0.31 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ag1 h ALA 192 Cb 0.12 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ag1 h ALA 192 CO -0.15 0.61 0.15 0.28 0.00 0.00 0.00 179.25 180.13 3ag1 h VAL 193 N 1.04 1.01 -0.72 0.00 2.07 -0.36 -0.44 116.25 118.85 3ag1 h VAL 193 Ca 0.24 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 3ag1 h VAL 193 Cb 0.19 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3ag1 h VAL 193 CO -0.02 0.06 0.39 -0.07 0.02 0.00 0.00 177.57 177.94 3ag1 h LEU 194 N 0.31 0.90 -0.31 2.57 3.38 -0.26 -2.27 115.31 119.63 3ag1 h LEU 194 Ca 0.11 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3ag1 h LEU 194 Cb 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3ag1 h LEU 194 CO -0.06 0.74 0.19 -0.07 0.09 0.00 0.00 178.44 179.33 3ag1 h LEU 195 N 0.99 0.30 -1.22 1.67 3.38 -0.90 -1.33 115.31 118.20 3ag1 h LEU 195 Ca 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 3ag1 h LEU 195 Cb 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3ag1 h LEU 195 CO -0.04 0.22 0.11 0.25 0.09 0.00 0.00 178.44 179.07 3ag1 h LEU 196 N 0.38 0.60 0.01 1.67 5.85 -0.53 -1.67 115.31 121.62 3ag1 h LEU 196 Ca 0.12 -0.09 -0.29 0.00 0.84 0.00 0.00 57.88 58.46 3ag1 h LEU 196 Cb -0.01 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 3ag1 h LEU 196 CO -0.05 0.59 -1.68 -0.07 -0.34 0.00 0.00 178.44 176.89 3ag1 h LEU 197 N 0.63 0.05 0.05 2.25 3.38 -1.34 -3.40 115.31 116.92 3ag1 h LEU 197 Ca 0.15 -0.10 -0.34 0.00 0.09 0.00 0.00 57.88 57.68 3ag1 h LEU 197 Cb 0.23 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3ag1 h LEU 197 CO -0.00 1.09 -2.02 -1.54 0.09 0.00 0.00 178.44 176.05 3ag1 n SER 198 N -3.11 1.40 0.02 -0.43 3.41 -0.51 -4.34 113.62 110.06 3ag1 n SER 198 Ca -0.17 0.20 -0.03 0.00 -0.26 0.00 0.00 58.87 58.61 3ag1 n SER 198 Cb 1.04 -0.28 0.20 0.00 -0.26 0.00 0.00 64.21 64.92 3ag1 n SER 198 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ag1 h LEU 199 N 0.03 0.46 -1.79 1.04 3.38 -1.51 -2.19 115.31 114.73 3ag1 h LEU 199 Ca -0.42 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.36 3ag1 h LEU 199 Cb 2.04 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.66 3ag1 h LEU 199 CO 0.05 0.73 -0.15 -0.65 0.09 0.00 0.00 178.44 178.50 3ag1 h PRO 200 N 0.41 0.00 -0.04 1.13 0.11 -1.77 -0.51 132.00 131.32 3ag1 h PRO 200 Ca 0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3ag1 h PRO 200 Cb 0.68 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 3ag1 h PRO 200 CO 0.05 0.15 -0.05 0.28 -0.21 0.00 0.00 178.00 178.22 3ag1 h VAL 201 N 0.00 1.40 -0.60 3.15 2.07 -1.60 -0.90 116.25 119.77 3ag1 h VAL 201 Ca -0.00 -1.27 0.07 0.00 0.82 0.00 0.00 66.70 66.31 3ag1 h VAL 201 Cb 0.36 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 32.24 3ag1 h VAL 201 CO 0.02 0.34 0.29 0.25 0.02 0.00 0.00 177.57 178.49 3ag1 h LEU 202 N -0.38 0.38 -0.34 2.57 5.85 -1.29 0.20 115.31 122.30 3ag1 h LEU 202 Ca 0.00 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.81 3ag1 h LEU 202 Cb 0.58 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 3ag1 h LEU 202 CO 0.01 0.24 0.11 0.00 -0.34 0.00 0.00 178.44 178.47 3ag1 h ALA 203 N 1.35 0.39 -0.11 1.25 0.00 -0.92 -0.49 119.26 120.73 3ag1 h ALA 203 Ca 0.28 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.27 3ag1 h ALA 203 Cb 0.25 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3ag1 h ALA 203 CO -0.22 -0.28 -0.18 0.00 0.00 0.00 0.00 179.25 178.57 3ag1 h ALA 204 N 1.22 -0.14 -0.46 0.00 0.00 -0.68 -2.05 119.26 117.15 3ag1 h ALA 204 Ca 0.15 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3ag1 h ALA 204 Cb 0.13 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3ag1 h ALA 204 CO -0.16 -0.64 0.25 0.78 0.00 0.00 0.00 179.25 179.48 3ag1 h GLY 205 N -0.24 0.65 2.00 0.00 0.00 -0.29 -1.97 103.07 103.21 3ag1 h GLY 205 Ca 0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3ag1 h GLY 205 CO -0.25 0.14 -0.26 0.16 0.00 0.00 0.00 176.54 176.34 3ag1 h ILE 206 N 0.50 0.44 -0.74 2.60 3.07 -1.12 -1.13 117.51 121.13 3ag1 h ILE 206 Ca 0.19 -1.61 -0.04 0.00 1.55 0.00 0.00 64.86 64.96 3ag1 h ILE 206 Cb 0.06 2.20 -0.03 0.00 -0.27 0.00 0.00 36.82 38.78 3ag1 h ILE 206 CO -0.11 0.25 0.31 0.74 -1.05 0.00 0.00 178.15 178.29 3ag1 h THR 207 N 0.00 1.25 -0.31 0.16 2.02 -1.02 0.18 112.91 115.20 3ag1 h THR 207 Ca -0.00 -0.77 -0.13 0.00 0.77 0.00 0.00 66.41 66.28 3ag1 h THR 207 Cb 1.18 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3ag1 h THR 207 CO 0.03 0.31 -0.33 0.24 0.37 0.00 0.00 175.52 176.14 3ag1 h MET 208 N 1.06 0.67 -0.76 6.66 2.86 -0.91 -0.91 114.93 123.60 3ag1 h MET 208 Ca 0.25 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3ag1 h MET 208 Cb 0.19 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 3ag1 h MET 208 CO -0.02 0.91 0.46 1.25 1.06 0.00 0.00 176.91 180.57 3ag1 h LEU 209 N 0.56 0.91 -0.77 1.22 5.85 -0.83 -0.65 115.31 121.61 3ag1 h LEU 209 Ca 0.06 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3ag1 h LEU 209 Cb 0.84 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 3ag1 h LEU 209 CO 0.07 0.70 0.40 0.25 -0.34 0.00 0.00 178.44 179.52 3ag1 h LEU 210 N 1.04 0.98 -0.29 2.25 5.85 0.12 -0.92 115.31 124.34 3ag1 h LEU 210 Ca 0.27 -0.11 -0.20 0.00 0.84 0.00 0.00 57.88 58.68 3ag1 h LEU 210 Cb -0.04 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 3ag1 h LEU 210 CO -0.05 0.81 -0.86 0.71 -0.34 0.00 0.00 178.44 178.71 3ag1 h THR 211 N 1.07 1.45 -0.94 1.05 1.35 -1.03 -1.99 112.91 113.86 3ag1 h THR 211 Ca 0.27 -2.47 0.11 0.00 -0.55 0.00 0.00 66.41 63.77 3ag1 h THR 211 Cb 0.07 2.38 -0.07 0.00 -1.73 0.00 0.00 68.15 68.79 3ag1 h THR 211 CO -0.04 0.73 0.60 0.44 -0.25 0.00 0.00 175.52 177.00 3ag1 h ASP 212 N 0.17 0.84 1.17 5.36 3.45 -0.75 0.10 116.42 126.76 3ag1 h ASP 212 Ca -0.05 0.03 -0.12 0.00 0.43 0.00 0.00 57.03 57.32 3ag1 h ASP 212 Cb 1.48 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 40.09 3ag1 h ASP 212 CO 0.14 0.47 -0.59 0.03 -1.57 0.00 0.00 179.24 177.72 3ag1 h ARG 213 N 0.92 0.00 0.00 3.56 3.08 -0.78 -3.38 114.38 117.78 3ag1 h ARG 213 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.50 3ag1 h ARG 213 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3ag1 h ARG 213 CO -0.21 0.59 -0.02 0.09 -1.07 0.00 0.00 179.97 179.34 3ag1 n ASN 214 N -3.36 0.09 -0.08 7.04 3.02 -0.78 -4.79 115.26 116.39 3ag1 n ASN 214 Ca 0.01 -0.04 0.03 0.00 -0.03 0.00 0.00 54.58 54.55 3ag1 n ASN 214 Cb 0.72 0.09 0.04 0.00 -0.61 0.00 0.00 39.78 40.02 3ag1 n ASN 214 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ag1 n LEU 215 N -0.10 1.44 -1.78 3.41 4.77 0.31 -5.01 117.00 120.04 3ag1 n LEU 215 Ca 0.00 -1.76 -0.15 0.00 -0.03 0.00 0.00 56.01 54.07 3ag1 n LEU 215 Cb 0.00 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3ag1 n LEU 215 CO 0.00 0.42 -0.17 0.59 -1.33 0.00 0.00 177.39 176.90 3ag1 n ASN 216 N -0.58 -4.58 -4.89 -1.43 3.02 -0.94 -4.95 115.26 100.91 3ag1 n ASN 216 Ca 0.04 -0.04 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 3ag1 n ASN 216 Cb 0.46 -3.69 0.02 0.00 -0.61 0.00 0.00 39.78 35.96 3ag1 n ASN 216 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ag1 s THR 217 N -2.78 4.12 -0.39 3.41 -4.23 -1.13 -5.01 115.64 109.64 3ag1 s THR 217 Ca 0.03 0.46 0.12 0.00 -1.18 0.00 0.00 61.69 61.12 3ag1 s THR 217 Cb -0.01 -3.65 0.40 0.00 1.34 0.00 0.00 72.50 70.58 3ag1 s THR 217 CO 0.03 -0.79 0.90 0.35 -0.54 0.00 0.00 174.62 174.57 3ag1 n THR 218 N -2.73 1.06 -0.26 3.99 -2.24 -1.26 -4.26 114.28 108.58 3ag1 n THR 218 Ca 0.05 -4.15 -0.01 0.00 -2.27 0.00 0.00 64.05 57.67 3ag1 n THR 218 Cb 0.56 -0.18 0.19 0.00 -2.10 0.00 0.00 70.33 68.80 3ag1 n THR 218 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3ag1 h PHE 219 N 2.94 1.05 -0.16 4.78 -1.00 -1.95 -3.10 116.94 119.49 3ag1 h PHE 219 Ca 0.05 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.84 3ag1 h PHE 219 Cb 0.99 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.20 3ag1 h PHE 219 CO 0.57 0.69 0.00 1.19 -1.61 0.00 0.00 178.31 179.15 3ag1 n PHE 220 N -4.39 0.22 -3.96 -0.55 3.72 -1.26 -1.77 117.46 109.46 3ag1 n PHE 220 Ca 0.09 -0.34 -0.34 0.00 -0.05 0.00 0.00 57.45 56.81 3ag1 n PHE 220 Cb 0.05 -0.02 -0.14 0.00 -0.94 0.00 0.00 39.48 38.43 3ag1 n PHE 220 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ag1 s ASP 221 N -0.88 4.75 0.59 4.37 -1.08 -1.21 -2.23 116.67 120.97 3ag1 s ASP 221 Ca 0.14 -1.33 0.32 0.00 -0.52 0.00 0.00 52.55 51.16 3ag1 s ASP 221 Cb 0.08 -1.66 1.86 0.00 -1.46 0.00 0.00 42.92 41.74 3ag1 s ASP 221 CO 0.10 -0.24 2.24 -0.65 0.52 0.00 0.00 175.17 177.14 3ag1 h PRO 222 N 7.92 0.00 -0.81 4.34 0.11 -1.86 -1.72 132.00 139.99 3ag1 h PRO 222 Ca -0.20 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.10 3ag1 h PRO 222 Cb 1.05 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 3ag1 h PRO 222 CO 0.51 0.02 0.55 0.00 -0.21 0.00 0.00 178.00 178.87 3ag1 h ALA 223 N 1.98 2.31 -0.49 -0.75 0.00 -1.94 0.39 119.26 120.75 3ag1 h ALA 223 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ag1 h ALA 223 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ag1 h ALA 223 CO 0.00 -0.54 0.00 0.41 0.00 0.00 0.00 179.25 179.12 3ag1 n GLY 224 N -1.56 3.29 2.36 0.00 0.00 -0.72 -4.91 105.19 103.64 3ag1 n GLY 224 Ca 0.16 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3ag1 n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag1 n GLY 225 N 0.33 0.42 0.87 -0.02 0.00 0.13 -4.97 105.19 101.94 3ag1 n GLY 225 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 3ag1 n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag1 n GLY 226 N -2.00 -1.71 3.07 -0.02 0.00 -0.75 -4.90 105.19 98.88 3ag1 n GLY 226 Ca 0.00 -1.60 -0.00 0.00 0.00 0.00 0.00 46.02 44.42 3ag1 n GLY 226 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag1 s ASP 227 N -2.16 -0.88 0.53 1.61 3.68 -0.73 -3.25 116.67 115.47 3ag1 s ASP 227 Ca 0.17 0.47 0.23 0.00 2.13 0.00 0.00 52.55 55.56 3ag1 s ASP 227 Cb -0.01 1.79 1.38 0.00 -1.45 0.00 0.00 42.92 44.63 3ag1 s ASP 227 CO 0.12 -0.29 2.03 -0.65 0.13 0.00 0.00 175.17 176.52 3ag1 h PRO 228 N 8.06 0.00 -0.19 4.34 0.11 -1.73 -1.77 132.00 140.81 3ag1 h PRO 228 Ca -0.17 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.90 3ag1 h PRO 228 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3ag1 h PRO 228 CO 0.24 0.00 -0.09 0.82 -0.21 0.00 0.00 178.00 178.77 3ag1 h ILE 229 N 0.00 1.17 -0.72 4.15 1.08 -1.91 -2.78 117.51 118.50 3ag1 h ILE 229 Ca 0.20 -0.74 0.11 0.00 -0.39 0.00 0.00 64.86 64.03 3ag1 h ILE 229 Cb 0.80 1.12 -0.08 0.00 -3.07 0.00 0.00 36.82 35.59 3ag1 h ILE 229 CO -0.00 0.24 0.34 0.25 -0.69 0.00 0.00 178.15 178.28 3ag1 h LEU 230 N 0.29 0.41 -0.55 1.44 5.85 -1.68 -0.18 115.31 120.88 3ag1 h LEU 230 Ca 0.06 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.93 3ag1 h LEU 230 Cb 0.34 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 3ag1 h LEU 230 CO 0.02 0.22 0.21 0.22 -0.34 0.00 0.00 178.44 178.76 3ag1 h TYR 231 N 0.55 0.36 -0.67 1.25 5.03 -1.61 -2.25 116.97 119.63 3ag1 h TYR 231 Ca 0.37 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.67 3ag1 h TYR 231 Cb 0.45 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.62 3ag1 h TYR 231 CO -0.12 0.11 0.30 1.96 -1.32 0.00 0.00 178.16 179.08 3ag1 h GLN 232 N 0.39 0.99 -0.00 1.82 4.20 -1.05 0.15 115.11 121.60 3ag1 h GLN 232 Ca 0.27 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.84 3ag1 h GLN 232 Cb 0.31 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3ag1 h GLN 232 CO -0.27 0.80 -0.11 0.45 -0.67 0.00 0.00 178.83 179.03 3ag1 h HIS 233 N 0.94 -0.27 -0.70 2.96 3.86 -1.13 0.30 115.15 121.11 3ag1 h HIS 233 Ca 0.23 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.38 3ag1 h HIS 233 Cb 0.16 0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 3ag1 h HIS 233 CO 0.01 -0.16 0.16 -0.07 0.86 0.00 0.00 177.93 178.72 3ag1 h LEU 234 N -0.18 1.08 0.08 2.43 3.38 -1.14 -0.71 115.31 120.23 3ag1 h LEU 234 Ca 0.04 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3ag1 h LEU 234 Cb 0.23 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3ag1 h LEU 234 CO -0.11 1.04 -0.04 0.15 0.09 0.00 0.00 178.44 179.57 3ag1 h PHE 235 N 1.06 -0.10 0.00 1.13 3.57 -0.52 -3.11 116.94 118.97 3ag1 h PHE 235 Ca 0.22 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3ag1 h PHE 235 Cb 0.39 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3ag1 h PHE 235 CO 0.03 0.13 0.00 -1.49 -2.23 0.00 0.00 178.31 174.75 3ag1 h TRP 236 N -0.31 0.00 -0.38 0.41 4.06 -0.32 0.18 115.95 119.59 3ag1 h TRP 236 Ca -0.01 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.87 3ag1 h TRP 236 Cb 0.27 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.41 3ag1 h TRP 236 CO -0.01 0.00 -0.04 0.35 -3.56 0.00 0.00 178.44 175.19 3ag1 h PHE 237 N 0.00 0.65 0.00 0.49 3.04 -1.10 0.23 116.94 120.25 3ag1 h PHE 237 Ca 0.00 -0.08 -0.08 0.00 3.98 0.00 0.00 57.97 61.79 3ag1 h PHE 237 Cb 0.73 -0.18 0.01 0.00 2.56 0.00 0.00 35.95 39.07 3ag1 h PHE 237 CO 0.00 0.65 -0.30 0.35 -2.02 0.00 0.00 178.31 176.99 3ag1 h PHE 238 N 0.58 0.29 -0.43 0.41 3.57 -1.42 -3.39 116.94 116.55 3ag1 h PHE 238 Ca 0.12 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 3ag1 h PHE 238 Cb 0.42 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3ag1 h PHE 238 CO 0.02 0.97 -0.01 0.78 -2.23 0.00 0.00 178.31 177.85 3ag1 h GLY 239 N -0.47 0.75 0.73 2.40 0.00 -0.13 -0.95 103.07 105.39 3ag1 h GLY 239 Ca -0.04 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 3ag1 h GLY 239 CO 0.06 0.45 -0.15 0.84 0.00 0.00 0.00 176.54 177.73 3ag1 h HIS 240 N 0.66 -0.40 -1.08 5.60 -0.00 -1.18 -2.87 115.15 115.88 3ag1 h HIS 240 Ca 0.13 -0.01 0.31 0.00 -0.00 0.00 0.00 60.37 60.80 3ag1 h HIS 240 Cb 0.42 0.13 -0.12 0.00 -0.00 0.00 0.00 27.41 27.84 3ag1 h HIS 240 CO 0.02 -0.09 0.67 -1.35 -0.00 0.00 0.00 177.93 177.18 3ag1 h PRO 241 N -0.71 0.34 -0.88 5.26 0.11 -1.55 0.13 132.00 134.69 3ag1 h PRO 241 Ca -0.04 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.10 3ag1 h PRO 241 Cb 0.49 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 31.46 3ag1 h PRO 241 CO 0.07 0.22 0.55 1.49 -0.21 0.00 0.00 178.00 180.13 3ag1 h GLU 242 N 0.35 0.98 -0.16 1.05 4.57 -1.02 0.34 114.58 120.69 3ag1 h GLU 242 Ca 0.68 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.69 3ag1 h GLU 242 Cb 1.71 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 30.07 3ag1 h GLU 242 CO -0.41 0.65 -0.37 -0.39 -1.18 0.00 0.00 179.01 177.31 3ag1 h VAL 243 N 1.01 1.30 -0.03 0.32 -1.51 -0.52 -0.62 116.25 116.20 3ag1 h VAL 243 Ca 0.38 -1.46 -0.13 0.00 -1.23 0.00 0.00 66.70 64.26 3ag1 h VAL 243 Cb 0.15 1.58 -0.02 0.00 -2.13 0.00 0.00 31.29 30.87 3ag1 h VAL 243 CO -0.16 0.44 -0.58 1.88 -1.23 0.00 0.00 177.57 177.92 3ag1 h TYR 244 N 0.29 0.11 -0.91 5.19 0.05 -1.13 -2.74 116.97 117.83 3ag1 h TYR 244 Ca 0.03 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3ag1 h TYR 244 Cb 0.79 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.46 3ag1 h TYR 244 CO 0.02 0.65 0.52 0.82 -1.05 0.00 0.00 178.16 179.12 3ag1 h ILE 245 N 0.07 1.26 0.00 -2.88 2.04 0.32 -1.27 117.51 117.04 3ag1 h ILE 245 Ca -0.01 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 3ag1 h ILE 245 Cb 1.05 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3ag1 h ILE 245 CO 0.08 0.28 -0.16 -0.07 0.00 0.00 0.00 178.15 178.28 3ag1 h LEU 246 N 1.26 0.00 0.00 1.44 3.38 -0.84 -3.34 115.31 117.21 3ag1 h LEU 246 Ca 0.32 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.22 3ag1 h LEU 246 Cb -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3ag1 h LEU 246 CO -0.06 0.16 -1.67 0.00 0.09 0.00 0.00 178.44 176.96 3ag1 n ILE 247 N -3.43 0.27 0.04 1.22 0.13 -0.92 -4.63 119.36 112.04 3ag1 n ILE 247 Ca -0.01 -0.37 -0.11 0.00 -1.10 0.00 0.00 62.75 61.17 3ag1 n ILE 247 Cb 0.34 -0.09 -0.04 0.00 -0.84 0.00 0.00 39.64 39.01 3ag1 n ILE 247 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 3ag1 h LEU 248 N 0.00 -0.73 -1.80 9.51 3.38 -1.37 0.18 115.31 124.48 3ag1 h LEU 248 Ca -0.11 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ag1 h LEU 248 Cb 0.98 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3ag1 h LEU 248 CO 0.01 -0.31 0.12 -0.65 0.09 0.00 0.00 178.44 177.70 3ag1 h PRO 249 N -0.36 0.26 -0.60 1.13 0.11 -1.79 -0.55 132.00 130.20 3ag1 h PRO 249 Ca 0.07 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 3ag1 h PRO 249 Cb 0.46 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.49 3ag1 h PRO 249 CO -0.24 0.18 0.26 0.78 -0.21 0.00 0.00 178.00 178.76 3ag1 h GLY 250 N 0.28 0.95 0.54 -0.55 0.00 -1.45 -0.42 103.07 102.43 3ag1 h GLY 250 Ca 0.07 -0.50 0.09 0.00 0.00 0.00 0.00 47.33 46.99 3ag1 h GLY 250 CO -0.01 0.48 0.47 0.74 0.00 0.00 0.00 176.54 178.21 3ag1 h PHE 251 N 0.83 0.86 -0.12 5.60 0.05 0.83 -1.74 116.94 123.24 3ag1 h PHE 251 Ca 0.20 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 62.01 3ag1 h PHE 251 Cb 0.17 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 37.86 3ag1 h PHE 251 CO 0.01 0.36 0.04 0.78 -0.18 0.00 0.00 178.31 179.31 3ag1 h GLY 252 N 0.80 0.20 1.11 -1.45 0.00 -0.23 -2.28 103.07 101.22 3ag1 h GLY 252 Ca 0.39 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 3ag1 h GLY 252 CO -0.24 0.11 0.35 -0.33 0.00 0.00 0.00 176.54 176.42 3ag1 h MET 253 N 0.02 1.14 -0.31 4.80 2.86 -0.88 -2.73 114.93 119.82 3ag1 h MET 253 Ca 0.04 -0.18 0.03 0.00 -2.06 0.00 0.00 59.70 57.52 3ag1 h MET 253 Cb 0.20 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3ag1 h MET 253 CO -0.00 0.90 0.14 0.82 1.06 0.00 0.00 176.91 179.83 3ag1 h ILE 254 N 1.13 0.96 -0.63 -1.22 1.08 -1.14 -0.37 117.51 117.31 3ag1 h ILE 254 Ca 0.27 -0.10 0.07 0.00 -0.39 0.00 0.00 64.86 64.71 3ag1 h ILE 254 Cb 0.16 0.64 -0.06 0.00 -3.07 0.00 0.00 36.82 34.49 3ag1 h ILE 254 CO -0.03 0.05 0.31 0.28 -0.69 0.00 0.00 178.15 178.08 3ag1 h SER 255 N 0.29 0.43 -0.66 1.72 0.02 -1.27 0.11 113.55 114.19 3ag1 h SER 255 Ca 0.13 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 3ag1 h SER 255 Cb 0.07 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3ag1 h SER 255 CO -0.11 0.27 0.13 0.45 -1.14 0.00 0.00 176.83 176.43 3ag1 h HIS 256 N 0.57 1.13 -0.06 3.45 3.86 -1.10 -2.81 115.15 120.20 3ag1 h HIS 256 Ca 0.29 -0.15 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 3ag1 h HIS 256 Cb 0.24 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.40 3ag1 h HIS 256 CO -0.11 0.94 -0.11 0.82 0.86 0.00 0.00 177.93 180.34 3ag1 h ILE 257 N 0.99 1.42 -0.80 2.45 2.04 -0.81 -1.91 117.51 120.88 3ag1 h ILE 257 Ca 0.20 -1.42 0.05 0.00 1.00 0.00 0.00 64.86 64.69 3ag1 h ILE 257 Cb 0.40 2.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.65 3ag1 h ILE 257 CO 0.01 0.39 0.49 0.58 0.00 0.00 0.00 178.15 179.63 3ag1 h VAL 258 N -0.32 1.05 -0.43 1.67 2.07 -0.88 -2.03 116.25 117.37 3ag1 h VAL 258 Ca 0.00 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 3ag1 h VAL 258 Cb 0.69 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3ag1 h VAL 258 CO 0.03 0.17 0.12 0.74 0.02 0.00 0.00 177.57 178.64 3ag1 h THR 259 N 0.92 1.23 0.13 2.57 2.02 -1.44 -2.68 112.91 115.65 3ag1 h THR 259 Ca 0.34 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 3ag1 h THR 259 Cb 0.13 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3ag1 h THR 259 CO -0.16 0.27 -0.06 0.22 0.37 0.00 0.00 175.52 176.16 3ag1 h TYR 260 N 0.55 -0.16 0.00 3.16 3.20 -1.03 -1.40 116.97 121.30 3ag1 h TYR 260 Ca 0.14 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3ag1 h TYR 260 Cb 0.29 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.61 3ag1 h TYR 260 CO 0.01 0.22 0.00 0.66 -1.64 0.00 0.00 178.16 177.42 3ag1 n TYR 261 N -4.98 0.00 1.12 -3.82 4.01 -0.79 -1.80 117.16 110.89 3ag1 n TYR 261 Ca -0.09 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.77 3ag1 n TYR 261 Cb 0.23 -0.35 0.17 0.00 -0.31 0.00 0.00 39.34 39.09 3ag1 n TYR 261 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3ag1 n SER 262 N -1.35 1.61 -0.93 7.72 7.64 -1.01 -0.94 113.62 126.37 3ag1 n SER 262 Ca 0.07 -1.26 -0.10 0.00 1.01 0.00 0.00 58.87 58.59 3ag1 n SER 262 Cb 0.16 0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 3ag1 n SER 262 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ag1 n GLY 263 N 1.38 0.69 3.91 0.23 0.00 -0.75 -1.52 105.19 109.13 3ag1 n GLY 263 Ca 0.11 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 3ag1 n GLY 263 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ag1 s LYS 264 N -3.50 3.59 0.12 1.61 3.01 -0.54 -4.85 119.74 119.17 3ag1 s LYS 264 Ca 0.00 -0.09 0.24 0.00 -1.01 0.00 0.00 55.97 55.12 3ag1 s LYS 264 Cb 0.00 -2.67 0.37 0.00 -1.01 0.00 0.00 37.83 34.52 3ag1 s LYS 264 CO 0.00 0.23 1.34 0.36 0.51 0.00 0.00 175.35 177.79 3ag1 n LYS 265 N -1.01 0.28 -3.54 1.68 2.85 -1.26 -4.60 118.16 112.55 3ag1 n LYS 265 Ca -0.02 0.09 -0.11 0.00 -1.05 0.00 0.00 58.31 57.21 3ag1 n LYS 265 Cb 0.54 -1.68 -0.02 0.00 -0.65 0.00 0.00 35.03 33.22 3ag1 n LYS 265 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3ag1 s GLU 266 N -3.16 1.35 0.78 -1.58 -1.05 -1.26 -4.90 118.70 108.88 3ag1 s GLU 266 Ca 0.07 -0.61 -0.11 0.00 -0.15 0.00 0.00 54.97 54.17 3ag1 s GLU 266 Cb 0.14 0.58 0.06 0.00 -0.44 0.00 0.00 34.13 34.46 3ag1 s GLU 266 CO 0.71 -0.59 1.09 -1.25 0.95 0.00 0.00 175.26 176.18 3ag1 s PRO 267 N -3.79 2.21 0.28 -4.83 0.04 -1.26 -4.97 135.00 122.67 3ag1 s PRO 267 Ca 0.04 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 3ag1 s PRO 267 Cb -0.02 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.54 3ag1 s PRO 267 CO -0.09 -1.68 1.14 0.12 0.04 0.00 0.00 177.00 176.53 3ag1 s PHE 268 N -2.88 3.48 -1.13 0.56 5.36 -1.26 -4.12 117.98 118.00 3ag1 s PHE 268 Ca 0.62 1.63 -0.22 0.00 -0.96 0.00 0.00 56.93 58.00 3ag1 s PHE 268 Cb -0.17 -3.36 -0.00 0.00 -0.34 0.00 0.00 43.02 39.14 3ag1 s PHE 268 CO 0.56 -0.81 0.78 0.41 -1.46 0.00 0.00 175.22 174.70 3ag1 n GLY 269 N 1.22 -1.00 0.37 13.12 0.00 -1.26 -4.79 105.19 112.86 3ag1 n GLY 269 Ca -0.00 0.45 -0.06 0.00 0.00 0.00 0.00 46.02 46.41 3ag1 n GLY 269 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ag1 h TYR 270 N -1.88 -1.13 -0.01 1.61 3.20 -1.99 -1.05 116.97 115.72 3ag1 h TYR 270 Ca -0.66 0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.21 3ag1 h TYR 270 Cb 1.36 0.59 -0.01 0.00 1.54 0.00 0.00 36.73 40.21 3ag1 h TYR 270 CO 0.33 -0.40 -0.42 0.52 -1.64 0.00 0.00 178.16 176.55 3ag1 h MET 271 N -0.15 0.01 -0.36 1.82 2.86 -1.97 -1.37 114.93 115.77 3ag1 h MET 271 Ca 0.23 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.74 3ag1 h MET 271 Cb 0.56 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3ag1 h MET 271 CO -0.75 0.43 -0.26 0.78 1.06 0.00 0.00 176.91 178.18 3ag1 h GLY 272 N 1.28 0.81 1.00 8.32 0.00 -1.63 -1.08 103.07 111.76 3ag1 h GLY 272 Ca -0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 3ag1 h GLY 272 CO 0.06 0.65 0.34 -0.33 0.00 0.00 0.00 176.54 177.26 3ag1 h MET 273 N 0.64 0.89 -0.20 4.80 2.07 -0.65 -0.03 114.93 122.45 3ag1 h MET 273 Ca 0.08 -0.11 -0.04 0.00 -2.07 0.00 0.00 59.70 57.57 3ag1 h MET 273 Cb 0.77 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.32 3ag1 h MET 273 CO 0.06 0.68 -0.03 0.28 1.07 0.00 0.00 176.91 178.97 3ag1 h VAL 274 N 0.87 1.28 -0.59 -2.22 2.07 -1.08 -2.33 116.25 114.25 3ag1 h VAL 274 Ca 0.22 -0.97 0.09 0.00 0.82 0.00 0.00 66.70 66.87 3ag1 h VAL 274 Cb 0.05 1.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 3ag1 h VAL 274 CO -0.03 0.29 0.20 -0.25 0.02 0.00 0.00 177.57 177.80 3ag1 h TRP 275 N 0.10 0.34 -0.58 1.57 7.01 -1.16 -1.42 115.95 121.81 3ag1 h TRP 275 Ca 0.05 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.03 3ag1 h TRP 275 Cb 0.46 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 3ag1 h TRP 275 CO 0.05 0.07 0.17 0.00 -2.79 0.00 0.00 178.44 175.94 3ag1 h ALA 276 N 1.41 0.76 -0.22 2.65 0.00 -0.86 -0.01 119.26 122.99 3ag1 h ALA 276 Ca 0.30 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 3ag1 h ALA 276 Cb 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ag1 h ALA 276 CO -0.31 0.43 -0.60 0.52 0.00 0.00 0.00 179.25 179.29 3ag1 h MET 277 N 0.82 0.74 -0.93 0.00 2.86 -0.85 -0.55 114.93 117.02 3ag1 h MET 277 Ca 0.18 -0.50 0.02 0.00 -2.06 0.00 0.00 59.70 57.34 3ag1 h MET 277 Cb 0.30 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 3ag1 h MET 277 CO -0.00 1.13 0.62 0.52 1.06 0.00 0.00 176.91 180.23 3ag1 h MET 278 N 0.56 1.21 -0.35 1.72 2.07 -1.01 -1.46 114.93 117.67 3ag1 h MET 278 Ca -0.00 -0.07 -0.10 0.00 -2.07 0.00 0.00 59.70 57.45 3ag1 h MET 278 Cb 1.19 -0.27 -0.01 0.00 -1.87 0.00 0.00 31.60 30.64 3ag1 h MET 278 CO 0.12 0.80 -0.18 0.77 1.07 0.00 0.00 176.91 179.49 3ag1 h SER 279 N 1.25 0.77 -0.70 1.22 0.02 -0.74 0.83 113.55 116.20 3ag1 h SER 279 Ca 0.35 -0.41 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 3ag1 h SER 279 Cb -0.11 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.18 3ag1 h SER 279 CO -0.08 1.01 0.23 0.40 -1.14 0.00 0.00 176.83 177.25 3ag1 h ILE 280 N 0.53 1.25 -0.29 3.27 2.04 -0.99 -1.06 117.51 122.26 3ag1 h ILE 280 Ca 0.08 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 3ag1 h ILE 280 Cb 0.73 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3ag1 h ILE 280 CO 0.05 0.34 0.13 1.23 0.00 0.00 0.00 178.15 179.91 3ag1 h GLY 281 N 1.10 0.46 0.79 5.37 0.00 -0.96 -0.18 103.07 109.64 3ag1 h GLY 281 Ca 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3ag1 h GLY 281 CO -0.01 0.22 -0.01 -2.75 0.00 0.00 0.00 176.54 173.99 3ag1 h PHE 282 N 0.33 0.34 -0.08 5.60 3.57 -0.64 -3.15 116.94 122.92 3ag1 h PHE 282 Ca 0.10 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 3ag1 h PHE 282 Cb 0.14 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3ag1 h PHE 282 CO -0.02 0.55 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.28 3ag1 h LEU 283 N 0.04 0.13 -0.36 0.59 3.38 -1.16 -2.66 115.31 115.27 3ag1 h LEU 283 Ca 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ag1 h LEU 283 Cb 0.42 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3ag1 h LEU 283 CO 0.01 0.40 0.05 0.61 0.09 0.00 0.00 178.44 179.60 3ag1 n GLY 284 N -0.65 -0.56 0.18 0.83 0.00 -0.09 -1.54 105.19 103.37 3ag1 n GLY 284 Ca -0.01 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.17 3ag1 n GLY 284 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ag1 n PHE 285 N -1.67 0.00 -1.33 1.61 3.72 -1.00 -3.45 117.46 115.34 3ag1 n PHE 285 Ca -0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 3ag1 n PHE 285 Cb 0.06 -0.08 0.14 0.00 -0.94 0.00 0.00 39.48 38.66 3ag1 n PHE 285 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3ag1 n ILE 286 N -0.93 1.76 -0.18 4.37 -5.35 -0.59 -4.69 119.36 113.76 3ag1 n ILE 286 Ca 0.07 -2.31 0.00 0.00 -0.27 0.00 0.00 62.75 60.25 3ag1 n ILE 286 Cb 0.37 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 3ag1 n ILE 286 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3ag1 n VAL 287 N -1.18 0.31 0.20 7.28 0.24 -1.25 -4.91 118.33 119.03 3ag1 n VAL 287 Ca 0.15 -0.57 0.13 0.00 -2.04 0.00 0.00 64.34 62.01 3ag1 n VAL 287 Cb 0.67 0.95 0.72 0.00 -1.47 0.00 0.00 33.84 34.72 3ag1 n VAL 287 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 3ag1 h TRP 288 N 0.00 0.00 0.00 6.34 0.09 -1.84 -2.40 115.95 118.13 3ag1 h TRP 288 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3ag1 h TRP 288 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.52 3ag1 h TRP 288 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3ag1 n ALA 289 N -2.50 2.46 0.39 0.11 0.00 -1.26 -2.16 120.51 117.56 3ag1 n ALA 289 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.33 3ag1 n ALA 289 Cb 0.23 -1.43 0.22 0.00 0.00 0.00 0.00 19.45 18.47 3ag1 n ALA 289 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3ag1 n HIS 290 N -1.06 0.00 1.20 0.00 1.44 -0.91 -1.27 115.22 114.62 3ag1 n HIS 290 Ca 0.19 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.97 3ag1 n HIS 290 Cb 0.11 -0.34 0.25 0.00 0.12 0.00 0.00 29.99 30.14 3ag1 n HIS 290 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3ag1 n HIS 291 N -1.34 0.29 -2.11 -1.40 8.25 -0.92 -4.37 115.22 113.63 3ag1 n HIS 291 Ca 0.04 -0.15 0.01 0.00 -0.26 0.00 0.00 57.72 57.36 3ag1 n HIS 291 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3ag1 n HIS 291 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3ag1 n MET 292 N 0.25 0.00 0.18 -0.41 2.00 -0.40 -4.89 117.12 113.85 3ag1 n MET 292 Ca 0.12 -1.12 0.14 0.00 0.00 0.00 0.00 57.70 56.84 3ag1 n MET 292 Cb 0.26 -0.32 0.57 0.00 0.00 0.00 0.00 33.22 33.74 3ag1 n MET 292 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 175.97 176.71 3ag1 h PHE 293 N 0.21 0.00 -0.42 2.03 0.04 -1.76 -2.45 116.94 114.59 3ag1 h PHE 293 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3ag1 h PHE 293 Cb 1.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.62 3ag1 h PHE 293 CO 0.07 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 178.03 3ag1 n THR 294 N -2.51 0.82 0.84 -1.55 -2.24 -1.26 -4.56 114.28 103.82 3ag1 n THR 294 Ca 0.01 -0.91 0.13 0.00 -2.27 0.00 0.00 64.05 61.01 3ag1 n THR 294 Cb 0.24 0.65 0.40 0.00 -2.10 0.00 0.00 70.33 69.52 3ag1 n THR 294 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3ag1 n VAL 295 N 0.95 0.19 0.00 2.28 0.24 -0.92 -4.95 118.33 116.13 3ag1 n VAL 295 Ca 0.15 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 3ag1 n VAL 295 Cb 0.49 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 3ag1 n VAL 295 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ag1 n GLY 296 N 1.43 1.39 3.83 7.63 0.00 -1.26 -5.10 105.19 113.10 3ag1 n GLY 296 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3ag1 n GLY 296 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ag1 s MET 297 N -0.35 3.45 0.42 1.61 1.00 -1.26 -5.01 119.30 119.15 3ag1 s MET 297 Ca 0.00 0.96 -0.22 0.00 0.00 0.00 0.00 55.69 56.43 3ag1 s MET 297 Cb 0.00 -2.06 -0.13 0.00 0.00 0.00 0.00 34.83 32.64 3ag1 s MET 297 CO 0.00 -0.69 0.48 -0.25 0.00 0.00 0.00 175.02 174.56 3ag1 n ASP 298 N -2.40 -1.18 -0.25 3.03 8.00 -1.26 -4.83 116.55 117.66 3ag1 n ASP 298 Ca 0.07 0.90 -0.07 0.00 0.71 0.00 0.00 54.79 56.40 3ag1 n ASP 298 Cb 0.54 -1.08 0.05 0.00 -0.02 0.00 0.00 41.12 40.60 3ag1 n ASP 298 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3ag1 h VAL 299 N 0.73 1.26 -0.67 2.53 3.04 -1.99 -2.05 116.25 119.10 3ag1 h VAL 299 Ca -0.40 -0.89 -0.03 0.00 -1.01 0.00 0.00 66.70 64.37 3ag1 h VAL 299 Cb 1.41 0.51 -0.03 0.00 -2.01 0.00 0.00 31.29 31.16 3ag1 h VAL 299 CO 0.51 0.35 0.29 0.44 -1.01 0.00 0.00 177.57 178.15 3ag1 h ASP 300 N 1.03 0.88 -0.29 3.17 3.32 -1.99 0.52 116.42 123.06 3ag1 h ASP 300 Ca 0.23 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3ag1 h ASP 300 Cb 0.31 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3ag1 h ASP 300 CO -0.01 0.77 0.15 0.74 -1.72 0.00 0.00 179.24 179.17 3ag1 h THR 301 N 0.96 1.14 -0.93 0.35 2.02 -1.83 -1.53 112.91 113.08 3ag1 h THR 301 Ca 0.23 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3ag1 h THR 301 Cb 0.14 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 3ag1 h THR 301 CO -0.02 0.14 0.55 0.03 0.37 0.00 0.00 175.52 176.58 3ag1 h ARG 302 N 0.34 1.28 -0.87 6.66 3.08 -0.92 -0.13 114.38 123.82 3ag1 h ARG 302 Ca 0.10 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3ag1 h ARG 302 Cb 0.09 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 29.84 3ag1 h ARG 302 CO -0.01 0.91 0.49 0.00 -1.07 0.00 0.00 179.97 180.28 3ag1 h ALA 303 N 1.30 1.12 -0.20 0.04 0.00 -0.64 -1.95 119.26 118.94 3ag1 h ALA 303 Ca 0.33 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3ag1 h ALA 303 Cb -0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3ag1 h ALA 303 CO -0.06 0.62 -0.06 -0.92 0.00 0.00 0.00 179.25 178.83 3ag1 h TYR 304 N 1.22 0.45 -0.05 0.00 3.20 -0.55 -2.45 116.97 118.80 3ag1 h TYR 304 Ca 0.31 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 3ag1 h TYR 304 Cb 0.02 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3ag1 h TYR 304 CO 0.01 0.66 -0.48 0.74 -1.64 0.00 0.00 178.16 177.45 3ag1 h PHE 305 N 0.12 0.14 -0.12 -3.82 0.04 -0.96 -0.64 116.94 111.69 3ag1 h PHE 305 Ca 0.05 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3ag1 h PHE 305 Cb 0.52 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 3ag1 h PHE 305 CO 0.05 0.57 0.07 1.15 -0.60 0.00 0.00 178.31 179.56 3ag1 h THR 306 N 0.10 1.01 -0.34 -1.55 2.02 -1.31 -2.36 112.91 110.48 3ag1 h THR 306 Ca 0.00 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 3ag1 h THR 306 Cb 0.88 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3ag1 h THR 306 CO 0.07 0.03 -0.09 0.28 0.37 0.00 0.00 175.52 176.17 3ag1 h SER 307 N 0.15 0.67 -0.74 4.18 0.02 -1.12 -2.26 113.55 114.46 3ag1 h SER 307 Ca 0.05 -0.37 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 3ag1 h SER 307 Cb -0.00 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 3ag1 h SER 307 CO -0.02 0.89 0.34 0.00 -1.14 0.00 0.00 176.83 176.90 3ag1 h ALA 308 N 0.81 1.18 -0.56 3.77 0.00 -1.16 -2.85 119.26 120.44 3ag1 h ALA 308 Ca 0.08 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3ag1 h ALA 308 Cb 0.60 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ag1 h ALA 308 CO 0.04 0.61 0.03 1.15 0.00 0.00 0.00 179.25 181.08 3ag1 h THR 309 N 1.08 1.26 -0.79 0.00 2.02 -1.14 -2.73 112.91 112.60 3ag1 h THR 309 Ca 0.26 -1.07 0.07 0.00 0.77 0.00 0.00 66.41 66.44 3ag1 h THR 309 Cb 0.14 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 3ag1 h THR 309 CO -0.03 0.38 0.52 0.24 0.37 0.00 0.00 175.52 177.01 3ag1 h MET 310 N 0.85 0.82 -0.54 6.66 2.86 -1.18 -2.72 114.93 121.69 3ag1 h MET 310 Ca 0.16 -0.05 0.12 0.00 -2.06 0.00 0.00 59.70 57.87 3ag1 h MET 310 Cb 0.50 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 3ag1 h MET 310 CO 0.02 0.54 0.37 0.82 1.06 0.00 0.00 176.91 179.73 3ag1 h ILE 311 N 0.85 0.83 0.00 -1.22 2.04 -1.38 -1.16 117.51 117.47 3ag1 h ILE 311 Ca 0.34 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 66.13 3ag1 h ILE 311 Cb 0.26 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3ag1 h ILE 311 CO -0.12 0.04 -0.01 0.40 0.00 0.00 0.00 178.15 178.46 3ag1 h ILE 312 N 0.21 0.15 -0.29 -0.67 2.04 -1.59 -0.69 117.51 116.67 3ag1 h ILE 312 Ca 0.26 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 3ag1 h ILE 312 Cb 0.72 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3ag1 h ILE 312 CO -0.05 0.01 0.16 0.00 0.00 0.00 0.00 178.15 178.27 3ag1 h ALA 313 N 1.99 1.74 0.61 1.87 0.00 -1.39 -3.07 119.26 121.02 3ag1 h ALA 313 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3ag1 h ALA 313 Cb 0.05 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ag1 h ALA 313 CO 0.00 0.23 -0.29 0.82 0.00 0.00 0.00 179.25 180.00 3ag1 h ILE 314 N 0.40 0.31 0.00 0.00 2.04 -1.31 0.20 117.51 119.16 3ag1 h ILE 314 Ca 0.11 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 3ag1 h ILE 314 Cb 0.01 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3ag1 h ILE 314 CO -0.02 0.03 -0.24 1.55 0.00 0.00 0.00 178.15 179.47 3ag1 h PRO 315 N -1.00 0.00 -0.43 2.37 0.13 -1.72 -2.37 132.00 128.97 3ag1 h PRO 315 Ca -0.08 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.02 3ag1 h PRO 315 Cb 0.68 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 3ag1 h PRO 315 CO 0.14 0.24 0.17 1.15 -0.23 0.00 0.00 178.00 179.46 3ag1 h THR 316 N 0.00 1.21 -0.61 1.56 2.02 -1.52 -2.84 112.91 112.72 3ag1 h THR 316 Ca -0.00 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.53 3ag1 h THR 316 Cb 0.43 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3ag1 h THR 316 CO 0.03 0.24 0.36 1.23 0.37 0.00 0.00 175.52 177.75 3ag1 h GLY 317 N 0.56 0.89 1.26 2.16 0.00 -0.15 -1.17 103.07 106.61 3ag1 h GLY 317 Ca 0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3ag1 h GLY 317 CO -0.01 0.35 0.43 -2.08 0.00 0.00 0.00 176.54 175.23 3ag1 h VAL 318 N 0.85 1.21 -0.07 4.60 2.07 -1.21 0.15 116.25 123.84 3ag1 h VAL 318 Ca 0.22 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 3ag1 h VAL 318 Cb -0.02 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 3ag1 h VAL 318 CO -0.04 0.22 -0.07 0.11 0.02 0.00 0.00 177.57 177.81 3ag1 h LYS 319 N 1.00 0.17 -0.31 1.57 1.57 -1.04 -1.27 116.57 118.26 3ag1 h LYS 319 Ca 0.26 -0.09 0.06 0.00 -1.87 0.00 0.00 60.65 59.02 3ag1 h LYS 319 Cb -0.03 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.22 3ag1 h LYS 319 CO -0.05 0.60 -0.09 0.28 -0.57 0.00 0.00 179.45 179.62 3ag1 h VAL 320 N -0.26 0.66 -0.08 0.50 2.07 -1.08 0.38 116.25 118.44 3ag1 h VAL 320 Ca 0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.54 3ag1 h VAL 320 Cb 0.57 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3ag1 h VAL 320 CO 0.02 0.00 0.06 -0.26 0.02 0.00 0.00 177.57 177.40 3ag1 h PHE 321 N -0.03 0.08 0.05 1.57 0.05 -0.97 -2.30 116.94 115.39 3ag1 h PHE 321 Ca 0.15 0.00 -0.23 0.00 3.82 0.00 0.00 57.97 61.71 3ag1 h PHE 321 Cb 0.25 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.16 3ag1 h PHE 321 CO -0.31 0.05 -1.05 0.77 -0.18 0.00 0.00 178.31 177.59 3ag1 h SER 322 N 0.09 0.21 -0.61 2.17 0.02 -0.22 0.05 113.55 115.25 3ag1 h SER 322 Ca 0.03 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3ag1 h SER 322 Cb 0.03 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 3ag1 h SER 322 CO -0.01 1.12 0.40 -0.50 -1.14 0.00 0.00 176.83 176.70 3ag1 h TRP 323 N 0.05 0.77 -0.50 3.45 6.55 -0.46 -1.83 115.95 123.99 3ag1 h TRP 323 Ca -0.06 0.01 -0.02 0.00 0.95 0.00 0.00 58.89 59.77 3ag1 h TRP 323 Cb 1.77 -0.26 -0.02 0.00 -0.86 0.00 0.00 29.16 29.79 3ag1 h TRP 323 CO 0.03 0.50 0.24 -0.07 -1.05 0.00 0.00 178.44 178.08 3ag1 h LEU 324 N 0.83 0.65 -2.16 -4.49 3.38 -1.20 -2.34 115.31 109.98 3ag1 h LEU 324 Ca 0.22 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ag1 h LEU 324 Cb -0.08 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3ag1 h LEU 324 CO -0.05 0.60 -0.06 0.00 0.09 0.00 0.00 178.44 179.03 3ag1 h ALA 325 N 1.08 1.52 0.09 1.53 0.00 -0.90 -1.94 119.26 120.64 3ag1 h ALA 325 Ca 0.17 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 3ag1 h ALA 325 Cb 0.13 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.93 3ag1 h ALA 325 CO -0.02 0.07 -1.08 1.15 0.00 0.00 0.00 179.25 179.37 3ag1 h THR 326 N 0.00 1.33 -0.61 0.00 2.02 -0.85 -3.18 112.91 111.62 3ag1 h THR 326 Ca -0.00 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.79 3ag1 h THR 326 Cb 0.14 2.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.23 3ag1 h THR 326 CO 0.01 0.72 0.38 -0.07 0.37 0.00 0.00 175.52 176.92 3ag1 h LEU 327 N 0.15 0.71 -9.27 2.58 3.38 -0.92 -3.42 115.31 108.53 3ag1 h LEU 327 Ca -0.16 -0.03 -0.64 0.00 0.09 0.00 0.00 57.88 57.14 3ag1 h LEU 327 Cb 1.77 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 42.37 3ag1 h LEU 327 CO 0.21 0.54 1.02 1.57 0.09 0.00 0.00 178.44 181.87 3ag1 n HIS 328 N -4.42 2.25 -0.82 1.13 -0.00 -0.78 -0.53 115.22 112.05 3ag1 n HIS 328 Ca 0.06 0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.38 3ag1 n HIS 328 Cb 0.06 -2.61 0.00 0.00 -0.12 0.00 0.00 29.99 27.32 3ag1 n HIS 328 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3ag1 n GLY 329 N 4.24 0.84 3.77 1.57 0.00 -1.26 -5.01 105.19 109.33 3ag1 n GLY 329 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3ag1 n GLY 329 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ag1 s GLY 330 N -1.86 2.90 -1.10 -0.02 0.00 0.31 -4.95 107.32 102.60 3ag1 s GLY 330 Ca 0.00 1.22 -0.21 0.00 0.00 0.00 0.00 44.72 45.72 3ag1 s GLY 330 CO 0.00 1.78 1.52 0.21 0.00 0.00 0.00 173.10 176.61 3ag1 s ASN 331 N -0.83 6.61 -0.10 1.64 2.47 -0.58 -5.01 114.94 119.14 3ag1 s ASN 331 Ca 0.59 -1.76 -0.30 0.00 0.42 0.00 0.00 52.86 51.81 3ag1 s ASN 331 Cb -0.37 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 36.83 3ag1 s ASN 331 CO 0.47 -1.39 1.24 -0.63 -3.72 0.00 0.00 177.10 173.07 3ag1 s ILE 332 N 4.67 4.24 -0.31 -5.21 -1.09 -1.26 -4.00 121.20 118.24 3ag1 s ILE 332 Ca 0.48 1.54 -0.10 0.00 -2.23 0.00 0.00 60.65 60.34 3ag1 s ILE 332 Cb 0.01 -3.99 -0.01 0.00 -1.58 0.00 0.00 42.46 36.88 3ag1 s ILE 332 CO -0.05 -0.06 0.16 -0.75 -1.23 0.00 0.00 174.94 173.01 3ag1 s LYS 333 N 2.78 3.44 -1.18 2.79 2.47 -0.11 -4.99 119.74 124.94 3ag1 s LYS 333 Ca 0.56 -0.65 -0.08 0.00 -1.56 0.00 0.00 55.97 54.24 3ag1 s LYS 333 Cb -0.24 -3.58 -0.05 0.00 -1.46 0.00 0.00 37.83 32.50 3ag1 s LYS 333 CO 0.19 -0.38 2.92 0.91 0.16 0.00 0.00 175.35 179.15 3ag1 n TRP 334 N 5.00 1.99 -1.48 4.03 7.02 -1.26 -4.79 117.44 127.95 3ag1 n TRP 334 Ca -0.14 -2.66 -0.29 0.00 -1.02 0.00 0.00 57.50 53.38 3ag1 n TRP 334 Cb 0.50 -2.09 0.12 0.00 -2.42 0.00 0.00 31.31 27.42 3ag1 n TRP 334 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3ag1 s SER 335 N 1.54 3.92 0.23 -0.99 1.04 -1.26 -4.88 113.70 113.30 3ag1 s SER 335 Ca 0.65 1.21 -0.07 0.00 0.48 0.00 0.00 55.95 58.22 3ag1 s SER 335 Cb 0.22 -1.88 0.28 0.00 0.10 0.00 0.00 66.02 64.74 3ag1 s SER 335 CO -0.07 -2.32 1.85 -0.65 0.98 0.00 0.00 173.24 173.03 3ag1 h PRO 336 N -1.33 0.91 -0.75 4.02 0.11 -1.92 -2.17 132.00 130.87 3ag1 h PRO 336 Ca -0.49 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.62 3ag1 h PRO 336 Cb 1.29 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 3ag1 h PRO 336 CO 0.59 0.61 0.49 0.00 -0.21 0.00 0.00 178.00 179.48 3ag1 h ALA 337 N 1.37 1.65 -0.57 -0.75 0.00 -1.91 -1.28 119.26 117.77 3ag1 h ALA 337 Ca 0.34 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 3ag1 h ALA 337 Cb 0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3ag1 h ALA 337 CO -0.15 0.24 -0.02 1.98 0.00 0.00 0.00 179.25 181.30 3ag1 h MET 338 N 0.82 1.02 -0.42 0.00 -1.53 -1.76 -0.59 114.93 112.47 3ag1 h MET 338 Ca 0.32 -0.34 -0.00 0.00 -3.44 0.00 0.00 59.70 56.24 3ag1 h MET 338 Cb 0.20 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.15 3ag1 h MET 338 CO -0.10 1.02 0.26 0.52 0.14 0.00 0.00 176.91 178.75 3ag1 h MET 339 N 0.91 0.56 -0.72 0.39 2.86 -0.64 -0.91 114.93 117.38 3ag1 h MET 339 Ca 0.16 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3ag1 h MET 339 Cb 0.57 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 3ag1 h MET 339 CO 0.03 0.40 0.43 -1.49 1.06 0.00 0.00 176.91 177.35 3ag1 h TRP 340 N 0.56 0.96 -0.48 -0.22 4.06 -0.98 -1.09 115.95 118.76 3ag1 h TRP 340 Ca 0.15 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.08 3ag1 h TRP 340 Cb -0.02 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 27.80 3ag1 h TRP 340 CO -0.04 0.65 0.23 0.00 -3.56 0.00 0.00 178.44 175.72 3ag1 h ALA 341 N 1.22 0.62 -0.45 1.49 0.00 -0.86 0.50 119.26 121.79 3ag1 h ALA 341 Ca 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ag1 h ALA 341 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3ag1 h ALA 341 CO -0.05 0.18 0.19 -0.07 0.00 0.00 0.00 179.25 179.50 3ag1 h LEU 342 N 0.63 0.62 -0.30 0.00 3.38 -1.05 -1.86 115.31 116.73 3ag1 h LEU 342 Ca 0.17 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3ag1 h LEU 342 Cb 0.11 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3ag1 h LEU 342 CO -0.02 0.61 0.01 1.23 0.09 0.00 0.00 178.44 180.35 3ag1 h GLY 343 N 0.59 0.30 -0.14 0.83 0.00 -1.05 -2.52 103.07 101.07 3ag1 h GLY 343 Ca 0.15 0.03 0.11 0.00 0.00 0.00 0.00 47.33 47.62 3ag1 h GLY 343 CO -0.01 -0.06 -0.17 -2.75 0.00 0.00 0.00 176.54 173.55 3ag1 h PHE 344 N 0.10 -0.39 -0.31 5.60 3.04 -0.60 -0.48 116.94 123.90 3ag1 h PHE 344 Ca 0.14 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.14 3ag1 h PHE 344 Cb 0.19 0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.94 3ag1 h PHE 344 CO -0.22 -0.26 0.19 0.82 -2.02 0.00 0.00 178.31 176.81 3ag1 h ILE 345 N -0.04 1.11 -0.01 1.41 2.04 -1.05 0.93 117.51 121.91 3ag1 h ILE 345 Ca 0.26 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 3ag1 h ILE 345 Cb 0.43 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3ag1 h ILE 345 CO -0.58 0.11 -0.01 0.15 0.00 0.00 0.00 178.15 177.82 3ag1 h PHE 346 N 0.40 0.03 -0.13 1.37 3.57 -1.01 -2.92 116.94 118.25 3ag1 h PHE 346 Ca 0.11 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 3ag1 h PHE 346 Cb 0.02 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3ag1 h PHE 346 CO -0.04 0.55 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.29 3ag1 h LEU 347 N -0.49 0.22 -0.28 0.59 3.38 -1.01 -1.29 115.31 116.43 3ag1 h LEU 347 Ca 0.00 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3ag1 h LEU 347 Cb 0.55 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3ag1 h LEU 347 CO 0.00 0.47 -0.24 0.15 0.09 0.00 0.00 178.44 178.91 3ag1 h PHE 348 N 0.21 0.79 -0.23 1.13 3.04 -0.92 -1.22 116.94 119.74 3ag1 h PHE 348 Ca 0.04 -0.23 0.05 0.00 3.98 0.00 0.00 57.97 61.81 3ag1 h PHE 348 Cb 0.54 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.83 3ag1 h PHE 348 CO 0.01 0.95 -0.06 1.15 -2.02 0.00 0.00 178.31 178.33 3ag1 h THR 349 N 0.40 0.76 -0.41 4.41 2.02 -1.19 0.27 112.91 119.16 3ag1 h THR 349 Ca 0.05 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.31 3ag1 h THR 349 Cb 0.80 0.76 -0.07 0.00 -1.74 0.00 0.00 68.15 67.89 3ag1 h THR 349 CO 0.06 0.00 -0.02 0.58 0.37 0.00 0.00 175.52 176.51 3ag1 h VAL 350 N -0.01 0.67 -0.21 3.16 2.07 -1.08 0.29 116.25 121.15 3ag1 h VAL 350 Ca 0.11 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 3ag1 h VAL 350 Cb 0.18 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3ag1 h VAL 350 CO -0.24 0.02 -0.18 1.23 0.02 0.00 0.00 177.57 178.42 3ag1 h GLY 351 N 0.09 0.38 0.93 2.17 0.00 -0.67 -1.95 103.07 104.01 3ag1 h GLY 351 Ca 0.20 -0.27 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 3ag1 h GLY 351 CO -0.35 0.25 -0.40 -1.33 0.00 0.00 0.00 176.54 174.71 3ag1 h GLY 352 N 0.91 0.66 0.85 4.60 0.00 0.29 -1.94 103.07 108.44 3ag1 h GLY 352 Ca 0.06 -0.80 0.03 0.00 0.00 0.00 0.00 47.33 46.63 3ag1 h GLY 352 CO 0.03 0.71 0.48 1.41 0.00 0.00 0.00 176.54 179.17 3ag1 h LEU 353 N 0.28 0.78 -0.97 3.11 3.38 -0.06 -1.71 115.31 120.12 3ag1 h LEU 353 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3ag1 h LEU 353 Cb 1.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3ag1 h LEU 353 CO 0.09 0.53 -0.08 0.71 0.09 0.00 0.00 178.44 179.79 3ag1 h THR 354 N 0.92 0.17 -0.41 0.22 1.35 -1.31 -2.08 112.91 111.77 3ag1 h THR 354 Ca 0.31 -0.85 -0.02 0.00 -0.55 0.00 0.00 66.41 65.30 3ag1 h THR 354 Cb 0.04 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.17 3ag1 h THR 354 CO -0.12 0.07 0.20 1.23 -0.25 0.00 0.00 175.52 176.65 3ag1 h GLY 355 N 2.59 0.64 0.69 5.82 0.00 -0.62 -1.94 103.07 110.24 3ag1 h GLY 355 Ca -0.00 -0.32 0.11 0.00 0.00 0.00 0.00 47.33 47.12 3ag1 h GLY 355 CO 0.01 0.30 0.56 -2.22 0.00 0.00 0.00 176.54 175.19 3ag1 h ILE 356 N 0.52 0.92 -0.39 2.60 1.08 -0.69 -1.42 117.51 120.12 3ag1 h ILE 356 Ca 0.14 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 3ag1 h ILE 356 Cb 0.12 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 33.93 3ag1 h ILE 356 CO -0.02 0.14 0.15 0.58 -0.69 0.00 0.00 178.15 178.32 3ag1 h VAL 357 N 0.78 1.20 0.00 1.67 2.07 -1.20 -3.01 116.25 117.75 3ag1 h VAL 357 Ca 0.41 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 3ag1 h VAL 357 Cb 0.52 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3ag1 h VAL 357 CO -0.18 0.22 -0.20 -0.07 0.02 0.00 0.00 177.57 177.36 3ag1 h LEU 358 N 0.49 0.00 -2.11 2.57 3.38 -0.54 -2.77 115.31 116.33 3ag1 h LEU 358 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3ag1 h LEU 358 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3ag1 h LEU 358 CO -0.01 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.72 3ag1 h ALA 359 N 1.80 1.00 -1.77 1.53 0.00 -1.15 -3.41 119.26 117.27 3ag1 h ALA 359 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.35 3ag1 h ALA 359 Cb 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3ag1 h ALA 359 CO 0.03 0.00 1.20 -0.80 0.00 0.00 0.00 179.25 179.68 3ag1 s ASN 360 N -5.41 5.98 0.52 0.00 0.01 -1.05 -4.41 114.94 110.58 3ag1 s ASN 360 Ca -0.02 0.93 0.24 0.00 -0.71 0.00 0.00 52.86 53.30 3ag1 s ASN 360 Cb 0.11 -2.53 1.43 0.00 0.41 0.00 0.00 41.25 40.67 3ag1 s ASN 360 CO 0.48 -1.71 2.12 0.77 -1.51 0.00 0.00 177.10 177.25 3ag1 h SER 361 N 12.28 0.00 0.66 -1.22 4.64 -1.87 0.41 113.55 128.45 3ag1 h SER 361 Ca -0.30 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.99 3ag1 h SER 361 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3ag1 h SER 361 CO 1.09 0.09 -0.48 0.28 -0.87 0.00 0.00 176.83 176.94 3ag1 h SER 362 N 0.00 -1.24 0.70 4.97 0.02 -1.94 -3.18 113.55 112.87 3ag1 h SER 362 Ca -0.00 0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 60.86 3ag1 h SER 362 Cb 0.19 0.38 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 3ag1 h SER 362 CO 0.01 -0.69 -0.77 0.25 -1.14 0.00 0.00 176.83 174.49 3ag1 h LEU 363 N -1.08 0.07 -1.97 5.07 6.46 -1.76 -2.84 115.31 119.26 3ag1 h LEU 363 Ca -0.09 -0.05 0.04 0.00 -0.12 0.00 0.00 57.88 57.66 3ag1 h LEU 363 Cb 0.89 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.79 3ag1 h LEU 363 CO 0.04 0.81 0.11 -0.78 -0.62 0.00 0.00 178.44 178.00 3ag1 h ASP 364 N 0.03 0.04 -0.78 1.25 1.82 -0.27 -2.36 116.42 116.15 3ag1 h ASP 364 Ca -0.01 -0.00 0.18 0.00 -0.39 0.00 0.00 57.03 56.81 3ag1 h ASP 364 Cb 1.36 -0.01 -0.13 0.00 0.68 0.00 0.00 39.33 41.23 3ag1 h ASP 364 CO 0.11 0.03 0.10 0.40 -1.61 0.00 0.00 179.24 178.26 3ag1 h ILE 365 N 0.04 0.38 0.00 2.25 1.08 -1.48 0.62 117.51 120.41 3ag1 h ILE 365 Ca 0.07 -0.06 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 3ag1 h ILE 365 Cb 0.23 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 3ag1 h ILE 365 CO -0.00 0.03 -0.58 0.58 -0.69 0.00 0.00 178.15 177.49 3ag1 h VAL 366 N 0.17 0.00 0.00 1.67 2.07 -1.62 -3.33 116.25 115.21 3ag1 h VAL 366 Ca 0.44 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3ag1 h VAL 366 Cb 0.80 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3ag1 h VAL 366 CO -0.62 0.00 -1.77 0.18 0.02 0.00 0.00 177.57 175.38 3ag1 n LEU 367 N -2.79 0.14 -4.74 2.57 4.77 -0.63 -4.90 117.00 111.43 3ag1 n LEU 367 Ca 0.02 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.50 3ag1 n LEU 367 Cb 0.53 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 3ag1 n LEU 367 CO 0.37 0.03 1.14 1.57 -1.33 0.00 0.00 177.39 179.17 3ag1 n HIS 368 N -2.09 2.76 -2.30 -1.77 -0.00 0.21 -2.01 115.22 110.01 3ag1 n HIS 368 Ca -0.03 0.38 -0.20 0.00 0.46 0.00 0.00 57.72 58.34 3ag1 n HIS 368 Cb 0.49 -2.54 -0.02 0.00 -0.12 0.00 0.00 29.99 27.81 3ag1 n HIS 368 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3ag1 n ASP 369 N 1.39 -5.59 -4.76 0.26 9.92 -1.26 -4.98 116.55 111.53 3ag1 n ASP 369 Ca 0.06 0.08 -0.26 0.00 -0.53 0.00 0.00 54.79 54.13 3ag1 n ASP 369 Cb 0.37 -4.70 -0.07 0.00 -0.64 0.00 0.00 41.12 36.08 3ag1 n ASP 369 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3ag1 s THR 370 N -2.94 2.05 -0.19 -3.53 -4.23 -0.85 -1.81 115.64 104.13 3ag1 s THR 370 Ca 0.00 -1.72 0.22 0.00 -1.18 0.00 0.00 61.69 59.00 3ag1 s THR 370 Cb 0.00 -2.77 0.22 0.00 1.34 0.00 0.00 72.50 71.29 3ag1 s THR 370 CO 0.00 0.00 1.67 -1.22 -0.54 0.00 0.00 174.62 174.53 3ag1 n TYR 371 N -1.30 0.74 0.03 3.99 4.01 -0.77 -2.27 117.16 121.58 3ag1 n TYR 371 Ca -0.04 0.39 0.02 0.00 -0.16 0.00 0.00 57.90 58.11 3ag1 n TYR 371 Cb 0.65 -1.12 0.36 0.00 -0.31 0.00 0.00 39.34 38.92 3ag1 n TYR 371 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3ag1 h TYR 372 N 0.00 0.47 -0.18 -0.72 5.03 -1.83 -0.43 116.97 119.31 3ag1 h TYR 372 Ca 0.00 -0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.23 3ag1 h TYR 372 Cb 0.00 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.13 3ag1 h TYR 372 CO 0.00 0.42 -0.08 0.28 -1.32 0.00 0.00 178.16 177.47 3ag1 h VAL 373 N 0.46 1.30 -0.86 1.81 2.07 -1.68 -0.62 116.25 118.73 3ag1 h VAL 373 Ca 0.11 -1.11 0.11 0.00 0.82 0.00 0.00 66.70 66.62 3ag1 h VAL 373 Cb 0.20 1.66 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 3ag1 h VAL 373 CO -0.00 0.33 0.50 0.58 0.02 0.00 0.00 177.57 179.00 3ag1 h VAL 374 N 0.06 0.88 -0.28 2.57 2.07 -1.61 -0.23 116.25 119.72 3ag1 h VAL 374 Ca 0.04 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 3ag1 h VAL 374 Cb 0.55 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3ag1 h VAL 374 CO 0.02 0.15 -0.03 0.00 0.02 0.00 0.00 177.57 177.73 3ag1 h ALA 375 N 1.49 0.38 -0.11 1.67 0.00 -0.85 -1.04 119.26 120.79 3ag1 h ALA 375 Ca 0.43 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3ag1 h ALA 375 Cb 0.44 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 3ag1 h ALA 375 CO -0.27 0.15 -0.28 1.25 0.00 0.00 0.00 179.25 180.10 3ag1 h HIS 376 N 0.28 -0.76 0.00 0.00 6.17 -0.26 -2.00 115.15 118.58 3ag1 h HIS 376 Ca 0.07 0.03 -0.12 0.00 0.71 0.00 0.00 60.37 61.07 3ag1 h HIS 376 Cb 0.47 0.35 -0.02 0.00 2.52 0.00 0.00 27.41 30.74 3ag1 h HIS 376 CO 0.04 -0.36 -0.75 0.27 0.71 0.00 0.00 177.93 177.84 3ag1 h PHE 377 N -0.36 0.00 0.00 5.26 -0.00 -0.94 -2.61 116.94 118.28 3ag1 h PHE 377 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.99 3ag1 h PHE 377 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.44 3ag1 h PHE 377 CO -0.36 0.51 -0.36 0.45 -0.00 0.00 0.00 178.31 178.54 3ag1 h HIS 378 N 0.00 0.00 -0.32 6.09 3.86 -1.17 0.10 115.15 123.71 3ag1 h HIS 378 Ca -0.04 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 3ag1 h HIS 378 Cb 1.43 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.88 3ag1 h HIS 378 CO 0.00 0.36 0.07 1.88 0.86 0.00 0.00 177.93 181.10 3ag1 h TYR 379 N 0.00 0.54 0.00 2.45 -1.99 -1.01 0.80 116.97 117.76 3ag1 h TYR 379 Ca -0.00 -0.07 -0.16 0.00 2.00 0.00 0.00 58.73 60.49 3ag1 h TYR 379 Cb 0.69 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.24 3ag1 h TYR 379 CO 0.00 0.58 -0.78 -0.39 -0.00 0.00 0.00 178.16 177.57 3ag1 h VAL 380 N 0.35 1.50 0.04 -2.88 -1.51 -1.35 -2.94 116.25 109.46 3ag1 h VAL 380 Ca 0.10 -2.72 -0.31 0.00 -1.23 0.00 0.00 66.70 62.54 3ag1 h VAL 380 Cb 0.32 2.49 -0.03 0.00 -2.13 0.00 0.00 31.29 31.93 3ag1 h VAL 380 CO 0.00 0.76 -1.70 0.18 -1.23 0.00 0.00 177.57 175.58 3ag1 n LEU 381 N -3.52 2.20 0.09 4.19 4.77 0.35 -1.22 117.00 123.85 3ag1 n LEU 381 Ca -0.00 0.31 0.05 0.00 -0.03 0.00 0.00 56.01 56.34 3ag1 n LEU 381 Cb 0.77 -1.01 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 3ag1 n LEU 381 CO 0.44 0.54 0.01 -1.28 -1.33 0.00 0.00 177.39 175.77 3ag1 h SER 382 N -0.57 0.00 -0.05 -1.43 0.87 -1.03 -1.51 113.55 109.84 3ag1 h SER 382 Ca -0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 3ag1 h SER 382 Cb 1.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.58 3ag1 h SER 382 CO -0.12 0.35 0.00 0.23 -0.53 0.00 0.00 176.83 176.76 3ag1 n MET 383 N -2.90 1.79 0.00 2.24 2.81 -1.07 -4.31 117.12 115.68 3ag1 n MET 383 Ca -0.04 -1.29 0.00 0.00 -1.81 0.00 0.00 57.70 54.56 3ag1 n MET 383 Cb 0.71 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 32.17 3ag1 n MET 383 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ag1 n GLY 384 N -0.17 0.05 0.23 3.03 0.00 -1.04 -4.45 105.19 102.84 3ag1 n GLY 384 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 3ag1 n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag1 h ALA 385 N -0.58 0.66 -0.12 4.61 0.00 -0.92 -2.09 119.26 120.83 3ag1 h ALA 385 Ca 0.00 0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 3ag1 h ALA 385 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ag1 h ALA 385 CO 0.00 -0.34 -0.75 0.28 0.00 0.00 0.00 179.25 178.44 3ag1 h VAL 386 N 0.20 1.32 -0.86 0.00 2.07 -1.48 -1.81 116.25 115.69 3ag1 h VAL 386 Ca 0.31 -2.04 -0.02 0.00 0.82 0.00 0.00 66.70 65.77 3ag1 h VAL 386 Cb 0.48 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 3ag1 h VAL 386 CO -0.44 0.63 0.45 -0.26 0.02 0.00 0.00 177.57 177.97 3ag1 h PHE 387 N 0.42 1.21 -0.44 1.57 0.05 -1.64 0.54 116.94 118.64 3ag1 h PHE 387 Ca -0.04 -0.04 -0.06 0.00 3.82 0.00 0.00 57.97 61.65 3ag1 h PHE 387 Cb 1.35 -0.38 -0.02 0.00 2.00 0.00 0.00 35.95 38.90 3ag1 h PHE 387 CO 0.07 0.85 0.06 0.00 -0.18 0.00 0.00 178.31 179.10 3ag1 h ALA 388 N 1.28 0.59 -0.38 2.45 0.00 -1.23 0.96 119.26 122.92 3ag1 h ALA 388 Ca 0.30 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3ag1 h ALA 388 Cb 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3ag1 h ALA 388 CO -0.04 0.32 0.14 0.82 0.00 0.00 0.00 179.25 180.48 3ag1 h ILE 389 N 0.59 0.90 -0.43 0.00 2.04 -1.01 0.12 117.51 119.72 3ag1 h ILE 389 Ca 0.13 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.80 3ag1 h ILE 389 Cb 0.40 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3ag1 h ILE 389 CO 0.01 0.05 -0.08 0.24 0.00 0.00 0.00 178.15 178.38 3ag1 h MET 390 N 0.30 0.81 -0.84 2.37 2.86 -0.69 0.20 114.93 119.93 3ag1 h MET 390 Ca 0.17 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3ag1 h MET 390 Cb 0.15 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 3ag1 h MET 390 CO -0.17 0.92 0.49 0.78 1.06 0.00 0.00 176.91 179.98 3ag1 h GLY 391 N 0.64 1.24 1.30 8.32 0.00 -0.65 -1.53 103.07 112.37 3ag1 h GLY 391 Ca 0.11 -0.54 -0.20 0.00 0.00 0.00 0.00 47.33 46.71 3ag1 h GLY 391 CO 0.04 0.52 -0.67 -1.33 0.00 0.00 0.00 176.54 175.09 3ag1 h GLY 392 N 1.17 0.78 0.95 4.60 0.00 -0.40 -1.26 103.07 108.91 3ag1 h GLY 392 Ca 0.30 -1.02 -0.00 0.00 0.00 0.00 0.00 47.33 46.61 3ag1 h GLY 392 CO -0.05 0.91 0.10 -2.75 0.00 0.00 0.00 176.54 174.75 3ag1 h PHE 393 N 0.51 0.24 0.00 5.60 3.57 -0.31 0.33 116.94 126.89 3ag1 h PHE 393 Ca -0.02 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.32 3ag1 h PHE 393 Cb 1.27 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 3ag1 h PHE 393 CO 0.07 0.21 -0.73 -0.39 -2.23 0.00 0.00 178.31 175.25 3ag1 h VAL 394 N 0.19 1.43 -0.17 1.41 -1.51 -1.27 0.25 116.25 116.58 3ag1 h VAL 394 Ca 0.06 -2.56 -0.04 0.00 -1.23 0.00 0.00 66.70 62.93 3ag1 h VAL 394 Cb 0.05 2.41 -0.00 0.00 -2.13 0.00 0.00 31.29 31.62 3ag1 h VAL 394 CO -0.01 0.71 -0.06 -0.74 -1.23 0.00 0.00 177.57 176.24 3ag1 h HIS 395 N 0.00 0.38 -0.01 5.19 -0.00 -1.00 -3.34 115.15 116.36 3ag1 h HIS 395 Ca -0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 3ag1 h HIS 395 Cb 1.35 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.67 3ag1 h HIS 395 CO 0.00 0.62 -0.56 0.91 -0.00 0.00 0.00 177.93 178.91 3ag1 n TRP 396 N -4.65 0.00 -0.33 5.26 8.01 0.09 -4.43 117.44 121.39 3ag1 n TRP 396 Ca -0.05 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.17 3ag1 n TRP 396 Cb 0.28 -0.03 0.11 0.00 -2.01 0.00 0.00 31.31 29.66 3ag1 n TRP 396 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.69 177.03 3ag1 h PHE 397 N 1.59 -0.55 -0.21 -5.99 3.04 -0.63 -0.25 116.94 113.95 3ag1 h PHE 397 Ca 0.00 0.08 0.00 0.00 3.98 0.00 0.00 57.97 62.04 3ag1 h PHE 397 Cb 0.65 0.39 -0.01 0.00 2.56 0.00 0.00 35.95 39.53 3ag1 h PHE 397 CO 0.00 -0.39 0.14 -1.35 -2.02 0.00 0.00 178.31 174.68 3ag1 h PRO 398 N -0.01 0.26 -0.33 6.41 0.11 -1.77 0.22 132.00 136.89 3ag1 h PRO 398 Ca 0.42 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.47 3ag1 h PRO 398 Cb 0.66 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 3ag1 h PRO 398 CO -0.94 0.17 0.04 1.25 -0.21 0.00 0.00 178.00 178.32 3ag1 h LEU 399 N 0.27 0.54 -0.15 2.35 5.85 -1.40 0.36 115.31 123.14 3ag1 h LEU 399 Ca 0.08 -0.27 -0.18 0.00 0.84 0.00 0.00 57.88 58.35 3ag1 h LEU 399 Cb -0.02 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 40.87 3ag1 h LEU 399 CO -0.02 0.68 -0.60 -0.26 -0.34 0.00 0.00 178.44 177.90 3ag1 h PHE 400 N 0.39 0.89 0.13 1.25 0.04 0.16 -3.35 116.94 116.44 3ag1 h PHE 400 Ca 0.10 -0.38 -0.35 0.00 2.80 0.00 0.00 57.97 60.13 3ag1 h PHE 400 Cb 0.37 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3ag1 h PHE 400 CO 0.03 1.18 -1.89 0.66 -0.60 0.00 0.00 178.31 177.68 3ag1 h SER 401 N 0.35 0.45 0.00 2.17 4.64 -0.69 -3.43 113.55 117.04 3ag1 h SER 401 Ca -0.03 -0.88 0.00 0.00 -0.47 0.00 0.00 61.79 60.41 3ag1 h SER 401 Cb 1.23 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3ag1 h SER 401 CO 0.13 1.77 0.00 0.61 -0.87 0.00 0.00 176.83 178.47 3ag1 n GLY 402 N 1.92 0.86 3.31 -0.77 0.00 0.13 -4.38 105.19 106.25 3ag1 n GLY 402 Ca -0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 3ag1 n GLY 402 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ag1 s TYR 403 N -3.02 2.11 0.26 1.61 2.02 -1.25 -1.91 117.35 117.16 3ag1 s TYR 403 Ca 0.00 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.20 3ag1 s TYR 403 Cb 0.00 -1.25 -0.08 0.00 -0.40 0.00 0.00 41.96 40.24 3ag1 s TYR 403 CO 0.00 0.13 0.60 0.95 -1.57 0.00 0.00 175.55 175.66 3ag1 s THR 404 N -0.83 4.87 0.59 -0.71 -4.23 -0.61 -3.75 115.64 110.97 3ag1 s THR 404 Ca 0.10 0.57 -0.09 0.00 -1.18 0.00 0.00 61.69 61.09 3ag1 s THR 404 Cb -0.10 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.09 3ag1 s THR 404 CO 0.02 -0.12 0.96 -0.76 -0.54 0.00 0.00 174.62 174.19 3ag1 s LEU 405 N -2.91 3.32 -0.46 4.79 1.43 -1.26 -4.67 118.68 118.92 3ag1 s LEU 405 Ca 0.49 1.26 -0.28 0.00 -1.03 0.00 0.00 54.13 54.56 3ag1 s LEU 405 Cb -0.11 -4.26 0.03 0.00 0.03 0.00 0.00 46.19 41.87 3ag1 s LEU 405 CO 0.21 -0.82 1.09 0.21 0.23 0.00 0.00 176.35 177.27 3ag1 s ASN 406 N -4.17 6.62 0.43 2.29 3.84 -1.26 -4.92 114.94 117.77 3ag1 s ASN 406 Ca 0.53 0.43 0.11 0.00 0.21 0.00 0.00 52.86 54.14 3ag1 s ASN 406 Cb -0.11 -2.53 0.97 0.00 -0.55 0.00 0.00 41.25 39.03 3ag1 s ASN 406 CO 0.51 -1.18 2.04 0.44 -2.79 0.00 0.00 177.10 176.12 3ag1 h ASP 407 N 9.12 0.38 -0.09 -4.21 3.45 -1.99 -1.49 116.42 121.60 3ag1 h ASP 407 Ca -0.23 -0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.17 3ag1 h ASP 407 Cb 1.06 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 3ag1 h ASP 407 CO 1.10 0.26 -0.16 0.74 -1.57 0.00 0.00 179.24 179.61 3ag1 h THR 408 N 0.44 1.40 -0.92 0.35 2.02 -2.00 -0.53 112.91 113.67 3ag1 h THR 408 Ca 0.19 -1.44 0.12 0.00 0.77 0.00 0.00 66.41 66.05 3ag1 h THR 408 Cb 0.19 2.13 -0.07 0.00 -1.74 0.00 0.00 68.15 68.66 3ag1 h THR 408 CO -0.05 0.41 0.59 -0.50 0.37 0.00 0.00 175.52 176.34 3ag1 h TRP 409 N -0.20 0.96 -0.08 3.16 -0.00 -1.89 -1.56 115.95 116.34 3ag1 h TRP 409 Ca 0.00 0.03 -0.16 0.00 -0.00 0.00 0.00 58.89 58.76 3ag1 h TRP 409 Cb 0.73 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.58 3ag1 h TRP 409 CO 0.11 0.39 -0.66 0.00 -0.00 0.00 0.00 178.44 178.28 3ag1 h ALA 410 N 1.57 0.73 -0.21 1.49 0.00 -0.70 -1.26 119.26 120.87 3ag1 h ALA 410 Ca 0.45 -0.58 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3ag1 h ALA 410 Cb 0.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ag1 h ALA 410 CO -0.21 0.75 -0.24 0.87 0.00 0.00 0.00 179.25 180.42 3ag1 h LYS 411 N 0.22 0.40 0.10 0.00 1.57 -0.64 -1.28 116.57 116.94 3ag1 h LYS 411 Ca -0.02 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3ag1 h LYS 411 Cb 1.20 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3ag1 h LYS 411 CO 0.11 0.62 -0.05 0.82 -0.57 0.00 0.00 179.45 180.37 3ag1 h ILE 412 N 0.35 1.01 -0.55 1.86 2.04 -0.82 -1.58 117.51 119.83 3ag1 h ILE 412 Ca 0.06 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.54 3ag1 h ILE 412 Cb 0.62 1.29 -0.09 0.00 -0.74 0.00 0.00 36.82 37.90 3ag1 h ILE 412 CO 0.04 0.11 -0.54 -0.74 0.00 0.00 0.00 178.15 177.02 3ag1 h HIS 413 N -0.33 -1.66 -0.63 1.37 2.76 -1.13 -1.05 115.15 114.47 3ag1 h HIS 413 Ca -0.01 0.09 0.10 0.00 -2.20 0.00 0.00 60.37 58.34 3ag1 h HIS 413 Cb 0.28 0.80 -0.11 0.00 1.55 0.00 0.00 27.41 29.92 3ag1 h HIS 413 CO -0.01 -0.43 -0.42 0.35 -1.30 0.00 0.00 177.93 176.12 3ag1 h PHE 414 N -0.26 -1.23 -0.85 5.26 3.57 -1.10 -2.09 116.94 120.23 3ag1 h PHE 414 Ca 0.09 0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.72 3ag1 h PHE 414 Cb 0.51 0.63 -0.06 0.00 2.79 0.00 0.00 35.95 39.82 3ag1 h PHE 414 CO -0.81 -0.41 0.53 0.00 -2.23 0.00 0.00 178.31 175.39 3ag1 h ALA 415 N 0.73 1.14 -0.28 2.41 0.00 -0.61 0.64 119.26 123.29 3ag1 h ALA 415 Ca 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3ag1 h ALA 415 Cb 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ag1 h ALA 415 CO -0.72 0.33 0.06 0.82 0.00 0.00 0.00 179.25 179.74 3ag1 h ILE 416 N 1.01 1.22 -0.50 0.00 2.04 -0.76 -2.49 117.51 118.02 3ag1 h ILE 416 Ca 0.35 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 3ag1 h ILE 416 Cb 0.08 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3ag1 h ILE 416 CO -0.14 0.24 0.29 -0.03 0.00 0.00 0.00 178.15 178.51 3ag1 h MET 417 N 0.29 0.69 -0.61 2.37 4.05 -1.03 -0.34 114.93 120.36 3ag1 h MET 417 Ca 0.09 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.40 3ag1 h MET 417 Cb 0.31 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 3ag1 h MET 417 CO 0.00 0.52 0.23 0.35 0.23 0.00 0.00 176.91 178.24 3ag1 h PHE 418 N 0.67 0.94 -0.14 1.39 3.57 -0.73 -0.97 116.94 121.67 3ag1 h PHE 418 Ca 0.18 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3ag1 h PHE 418 Cb 0.02 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 3ag1 h PHE 418 CO -0.02 0.76 0.03 0.28 -2.23 0.00 0.00 178.31 177.12 3ag1 h VAL 419 N 0.85 1.21 0.10 1.41 2.07 -1.14 -3.11 116.25 117.65 3ag1 h VAL 419 Ca 0.20 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 67.06 3ag1 h VAL 419 Cb 0.23 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3ag1 h VAL 419 CO -0.01 0.20 -0.33 1.23 0.02 0.00 0.00 177.57 178.67 3ag1 h GLY 420 N 0.02 -0.63 1.75 2.17 0.00 -0.11 -0.72 103.07 105.54 3ag1 h GLY 420 Ca 0.04 0.40 -0.12 0.00 0.00 0.00 0.00 47.33 47.65 3ag1 h GLY 420 CO 0.00 -0.25 -0.47 -0.39 0.00 0.00 0.00 176.54 175.43 3ag1 h VAL 421 N -0.55 1.33 -0.32 4.60 -1.51 -1.31 0.23 116.25 118.73 3ag1 h VAL 421 Ca 0.03 -1.67 -0.17 0.00 -1.23 0.00 0.00 66.70 63.67 3ag1 h VAL 421 Cb 0.59 1.77 -0.00 0.00 -2.13 0.00 0.00 31.29 31.51 3ag1 h VAL 421 CO -0.21 0.50 -0.47 0.78 -1.23 0.00 0.00 177.57 176.94 3ag1 h ASN 422 N 0.22 0.92 -0.61 4.19 2.35 -1.45 -0.63 115.58 120.56 3ag1 h ASN 422 Ca 0.01 -0.46 -0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3ag1 h ASN 422 Cb 0.92 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.99 3ag1 h ASN 422 CO 0.07 1.24 0.37 -0.03 -1.65 0.00 0.00 177.43 177.43 3ag1 h MET 423 N 0.67 0.84 0.03 0.81 4.05 -0.72 -1.35 114.93 119.28 3ag1 h MET 423 Ca 0.04 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 3ag1 h MET 423 Cb 1.06 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.68 3ag1 h MET 423 CO 0.11 0.60 -0.02 1.15 0.23 0.00 0.00 176.91 178.98 3ag1 h THR 424 N 0.86 1.36 0.00 -0.77 2.02 -0.72 -3.37 112.91 112.29 3ag1 h THR 424 Ca 0.22 -1.35 -0.27 0.00 0.77 0.00 0.00 66.41 65.78 3ag1 h THR 424 Cb -0.02 2.25 -0.05 0.00 -1.74 0.00 0.00 68.15 68.59 3ag1 h THR 424 CO -0.04 0.34 -2.22 0.49 0.37 0.00 0.00 175.52 174.45 3ag1 n PHE 425 N -4.83 0.09 -0.04 3.16 3.01 -0.27 -4.45 117.46 114.14 3ag1 n PHE 425 Ca -0.09 0.03 -0.08 0.00 1.01 0.00 0.00 57.45 58.32 3ag1 n PHE 425 Cb 0.29 -0.90 -0.03 0.00 -0.01 0.00 0.00 39.48 38.84 3ag1 n PHE 425 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 3ag1 h PHE 426 N 0.00 -0.10 0.00 1.38 3.57 -1.43 -2.32 116.94 118.04 3ag1 h PHE 426 Ca -0.39 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.11 3ag1 h PHE 426 Cb 1.92 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.74 3ag1 h PHE 426 CO 0.00 -0.08 -0.05 -1.35 -2.23 0.00 0.00 178.31 174.59 3ag1 h PRO 427 N -0.00 0.00 -0.14 6.41 0.11 -1.78 -2.22 132.00 134.37 3ag1 h PRO 427 Ca 0.09 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.24 3ag1 h PRO 427 Cb 0.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3ag1 h PRO 427 CO -0.20 0.05 0.18 1.96 -0.21 0.00 0.00 178.00 179.78 3ag1 h GLN 428 N 0.00 0.00 -0.59 1.05 4.20 -1.63 -1.27 115.11 116.87 3ag1 h GLN 428 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3ag1 h GLN 428 Cb 0.17 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 3ag1 h GLN 428 CO 0.01 0.00 0.34 0.45 -0.67 0.00 0.00 178.83 178.96 3ag1 h HIS 429 N 0.00 0.79 -0.51 2.96 3.86 -1.53 -1.76 115.15 118.95 3ag1 h HIS 429 Ca 0.07 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 3ag1 h HIS 429 Cb 0.42 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 3ag1 h HIS 429 CO 0.00 0.56 0.15 0.74 0.86 0.00 0.00 177.93 180.24 3ag1 h PHE 430 N 0.80 0.83 -0.66 2.45 0.04 -1.43 -0.05 116.94 118.92 3ag1 h PHE 430 Ca 0.21 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.89 3ag1 h PHE 430 Cb 0.01 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 3ag1 h PHE 430 CO -0.02 0.72 0.41 -0.07 -0.60 0.00 0.00 178.31 178.75 3ag1 h LEU 431 N 0.70 0.77 0.00 1.54 3.38 -1.22 -0.95 115.31 119.54 3ag1 h LEU 431 Ca 0.16 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3ag1 h LEU 431 Cb 0.29 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3ag1 h LEU 431 CO -0.00 0.58 -0.02 1.23 0.09 0.00 0.00 178.44 180.32 3ag1 h GLY 432 N 0.92 0.01 0.49 0.83 0.00 -0.91 0.11 103.07 104.53 3ag1 h GLY 432 Ca 0.24 -0.02 0.14 0.00 0.00 0.00 0.00 47.33 47.68 3ag1 h GLY 432 CO -0.05 0.02 0.60 1.41 0.00 0.00 0.00 176.54 178.52 3ag1 h LEU 433 N -0.78 0.78 -0.42 3.11 3.38 -0.77 -0.75 115.31 119.85 3ag1 h LEU 433 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ag1 h LEU 433 Cb 0.81 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3ag1 h LEU 433 CO 0.00 0.40 -0.08 -1.54 0.09 0.00 0.00 178.44 177.31 3ag1 n SER 434 N -4.59 0.74 0.00 -0.43 3.41 -0.38 -4.90 113.62 107.46 3ag1 n SER 434 Ca 0.18 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 3ag1 n SER 434 Cb 0.42 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 3ag1 n SER 434 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag1 n GLY 435 N 1.21 1.13 3.65 5.00 0.00 -0.29 -5.05 105.19 110.84 3ag1 n GLY 435 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3ag1 n GLY 435 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3ag1 s MET 436 N -0.12 4.16 0.82 1.61 0.00 0.32 -5.00 119.30 121.09 3ag1 s MET 436 Ca 0.00 1.47 -0.12 0.00 0.00 0.00 0.00 55.69 57.04 3ag1 s MET 436 Cb 0.00 -3.76 0.09 0.00 0.00 0.00 0.00 34.83 31.16 3ag1 s MET 436 CO 0.00 -0.79 1.15 -2.14 0.00 0.00 0.00 175.02 173.24 3ag1 s PRO 437 N 3.59 1.67 0.76 4.11 0.02 -1.26 -1.85 135.00 142.04 3ag1 s PRO 437 Ca 0.52 1.54 -0.12 0.00 0.02 0.00 0.00 61.00 62.96 3ag1 s PRO 437 Cb -0.18 -1.80 0.05 0.00 0.02 0.00 0.00 34.50 32.58 3ag1 s PRO 437 CO 0.15 -2.14 1.13 1.03 -0.33 0.00 0.00 177.00 176.83 3ag1 s ARG 438 N -4.45 2.43 -1.72 5.54 0.52 -0.75 -4.32 118.95 116.20 3ag1 s ARG 438 Ca 0.68 0.35 0.00 0.00 -0.52 0.00 0.00 55.73 56.24 3ag1 s ARG 438 Cb -0.24 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.25 3ag1 s ARG 438 CO 0.53 -1.32 0.00 0.54 0.02 0.00 0.00 175.30 175.07 3ag1 n ARG 439 N -3.18 -1.47 -3.81 3.54 1.74 -1.26 -4.97 116.66 107.25 3ag1 n ARG 439 Ca 0.07 0.98 -0.36 0.00 -0.77 0.00 0.00 57.85 57.77 3ag1 n ARG 439 Cb 0.58 -5.47 -0.07 0.00 -1.02 0.00 0.00 32.46 26.48 3ag1 n ARG 439 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3ag1 s TYR 440 N -2.89 3.49 -0.93 -1.55 4.12 -1.26 -5.02 117.35 113.31 3ag1 s TYR 440 Ca 0.00 0.41 0.28 0.00 0.02 0.00 0.00 57.07 57.78 3ag1 s TYR 440 Cb 0.00 -2.05 1.06 0.00 -1.52 0.00 0.00 41.96 39.45 3ag1 s TYR 440 CO 0.00 0.49 1.84 -1.13 0.02 0.00 0.00 175.55 176.77 3ag1 n SER 441 N 2.82 0.23 -3.51 2.29 3.41 -1.26 -4.91 113.62 112.69 3ag1 n SER 441 Ca -0.18 0.45 -0.10 0.00 -0.26 0.00 0.00 58.87 58.78 3ag1 n SER 441 Cb 0.53 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 3ag1 n SER 441 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ag1 s ASP 442 N -3.36 -0.47 0.01 4.04 3.68 -1.26 -4.64 116.67 114.67 3ag1 s ASP 442 Ca 0.13 -0.10 -0.05 0.00 2.13 0.00 0.00 52.55 54.66 3ag1 s ASP 442 Cb 0.17 0.57 -0.01 0.00 -1.45 0.00 0.00 42.92 42.20 3ag1 s ASP 442 CO 0.56 -0.94 0.07 -0.72 0.13 0.00 0.00 175.17 174.27 3ag1 s TYR 443 N -3.62 0.14 0.49 -5.34 -0.85 -1.26 -5.08 117.35 101.83 3ag1 s TYR 443 Ca 0.04 -0.32 -0.22 0.00 -0.52 0.00 0.00 57.07 56.05 3ag1 s TYR 443 Cb -0.02 -0.11 -0.09 0.00 0.38 0.00 0.00 41.96 42.13 3ag1 s TYR 443 CO -0.09 -0.26 0.91 -2.30 -1.52 0.00 0.00 175.55 172.29 3ag1 n PRO 444 N 1.41 1.08 -0.33 -3.49 -0.02 -1.26 -4.85 135.00 127.54 3ag1 n PRO 444 Ca -0.23 0.40 0.19 0.00 -2.02 0.00 0.00 63.50 61.84 3ag1 n PRO 444 Cb 0.56 -2.01 0.44 0.00 -0.02 0.00 0.00 33.50 32.47 3ag1 n PRO 444 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ag1 h ASP 445 N 1.04 0.57 -0.47 2.55 3.45 -2.03 -0.60 116.42 120.93 3ag1 h ASP 445 Ca -0.46 0.10 0.14 0.00 0.43 0.00 0.00 57.03 57.24 3ag1 h ASP 445 Cb 1.36 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.11 3ag1 h ASP 445 CO 0.54 0.13 0.36 0.00 -1.57 0.00 0.00 179.24 178.70 3ag1 h ALA 446 N 1.66 2.39 -0.01 3.45 0.00 -2.06 -2.05 119.26 122.64 3ag1 h ALA 446 Ca 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3ag1 h ALA 446 Cb 1.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3ag1 h ALA 446 CO -0.35 -0.61 0.00 0.66 0.00 0.00 0.00 179.25 178.95 3ag1 n TYR 447 N -4.27 0.01 -0.03 0.00 4.01 -0.23 -4.38 117.16 112.28 3ag1 n TYR 447 Ca 0.08 -0.01 -0.13 0.00 -0.16 0.00 0.00 57.90 57.69 3ag1 n TYR 447 Cb 0.57 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.51 3ag1 n TYR 447 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3ag1 h THR 448 N 0.08 1.38 -0.50 -0.72 2.02 -1.56 -2.98 112.91 110.63 3ag1 h THR 448 Ca 0.00 -1.21 0.04 0.00 0.77 0.00 0.00 66.41 66.01 3ag1 h THR 448 Cb 0.02 2.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.49 3ag1 h THR 448 CO 0.00 0.33 0.26 -0.03 0.37 0.00 0.00 175.52 176.45 3ag1 h MET 449 N -0.36 0.50 -0.19 6.66 1.85 -1.83 -1.66 114.93 119.90 3ag1 h MET 449 Ca 0.01 -0.03 -0.10 0.00 -0.61 0.00 0.00 59.70 58.97 3ag1 h MET 449 Cb 0.55 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.45 3ag1 h MET 449 CO 0.01 0.33 -0.31 -1.49 -0.40 0.00 0.00 176.91 175.05 3ag1 h TRP 450 N 0.51 0.43 -0.10 1.39 -0.00 -1.90 -2.48 115.95 113.80 3ag1 h TRP 450 Ca 0.21 -0.10 -0.12 0.00 -0.00 0.00 0.00 58.89 58.88 3ag1 h TRP 450 Cb 0.10 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.15 3ag1 h TRP 450 CO -0.09 0.66 -0.48 -0.91 -0.00 0.00 0.00 178.44 177.61 3ag1 h ASN 451 N 0.33 0.28 0.47 -3.49 2.35 -1.29 -2.36 115.58 111.87 3ag1 h ASN 451 Ca 0.04 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3ag1 h ASN 451 Cb 0.72 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.01 3ag1 h ASN 451 CO 0.05 0.73 -0.22 0.74 -1.65 0.00 0.00 177.43 177.08 3ag1 h THR 452 N 0.21 0.51 -0.48 2.81 2.02 -1.06 -1.90 112.91 115.02 3ag1 h THR 452 Ca 0.01 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 66.95 3ag1 h THR 452 Cb 0.93 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 3ag1 h THR 452 CO 0.08 0.05 0.23 0.40 0.37 0.00 0.00 175.52 176.65 3ag1 h ILE 453 N -0.80 0.95 -0.77 3.11 2.04 -1.48 -2.58 117.51 117.99 3ag1 h ILE 453 Ca -0.06 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3ag1 h ILE 453 Cb 0.56 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 3ag1 h ILE 453 CO 0.11 0.08 0.50 -1.28 0.00 0.00 0.00 178.15 177.56 3ag1 h SER 454 N 0.46 0.89 0.00 1.72 0.87 -1.38 0.15 113.55 116.27 3ag1 h SER 454 Ca 0.21 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 3ag1 h SER 454 Cb 0.12 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3ag1 h SER 454 CO -0.15 0.66 -0.15 0.28 -0.53 0.00 0.00 176.83 176.93 3ag1 h SER 455 N 1.04 0.29 -0.48 6.23 0.02 -1.16 -2.17 113.55 117.32 3ag1 h SER 455 Ca 0.28 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 61.04 3ag1 h SER 455 Cb -0.10 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3ag1 h SER 455 CO -0.06 0.47 -0.16 0.24 -1.14 0.00 0.00 176.83 176.18 3ag1 h MET 456 N 0.28 0.98 -0.95 3.45 2.07 -0.78 -2.55 114.93 117.44 3ag1 h MET 456 Ca 0.05 -0.39 0.12 0.00 -2.07 0.00 0.00 59.70 57.42 3ag1 h MET 456 Cb 0.45 -0.05 -0.08 0.00 -1.87 0.00 0.00 31.60 30.04 3ag1 h MET 456 CO 0.03 1.06 0.58 0.78 1.07 0.00 0.00 176.91 180.43 3ag1 h GLY 457 N 0.92 1.55 2.00 8.32 0.00 -0.16 -2.17 103.07 113.53 3ag1 h GLY 457 Ca 0.12 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3ag1 h GLY 457 CO 0.06 0.12 -0.16 1.48 0.00 0.00 0.00 176.54 178.04 3ag1 h SER 458 N 0.90 0.00 0.20 0.19 4.64 -0.98 -1.06 113.55 117.45 3ag1 h SER 458 Ca 0.48 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.62 3ag1 h SER 458 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3ag1 h SER 458 CO -0.28 0.16 -0.71 -0.26 -0.87 0.00 0.00 176.83 174.87 3ag1 h PHE 459 N 0.00 0.60 -0.54 4.77 0.04 -1.37 -2.48 116.94 117.96 3ag1 h PHE 459 Ca -0.00 -0.26 0.04 0.00 2.80 0.00 0.00 57.97 60.55 3ag1 h PHE 459 Cb 0.44 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 3ag1 h PHE 459 CO 0.00 1.01 0.31 0.82 -0.60 0.00 0.00 178.31 179.85 3ag1 h ILE 460 N 0.31 1.01 -0.72 -0.55 2.04 -1.02 -0.76 117.51 117.82 3ag1 h ILE 460 Ca -0.03 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3ag1 h ILE 460 Cb 1.28 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 3ag1 h ILE 460 CO 0.12 0.11 0.34 0.28 0.00 0.00 0.00 178.15 179.01 3ag1 h SER 461 N 0.60 0.95 -0.78 1.72 0.02 -1.42 0.18 113.55 114.81 3ag1 h SER 461 Ca 0.23 -0.14 0.15 0.00 -0.84 0.00 0.00 61.79 61.20 3ag1 h SER 461 Cb 0.08 -0.24 -0.10 0.00 0.14 0.00 0.00 62.40 62.28 3ag1 h SER 461 CO -0.13 0.82 0.31 0.25 -1.14 0.00 0.00 176.83 176.94 3ag1 h LEU 462 N 1.01 0.29 -0.94 5.07 5.85 -1.05 -0.49 115.31 125.04 3ag1 h LEU 462 Ca 0.25 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 59.03 3ag1 h LEU 462 Cb 0.12 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3ag1 h LEU 462 CO -0.03 0.09 0.15 0.74 -0.34 0.00 0.00 178.44 179.05 3ag1 h THR 463 N 0.44 1.24 -0.81 1.05 2.02 0.50 -0.67 112.91 116.68 3ag1 h THR 463 Ca 0.44 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 3ag1 h THR 463 Cb 0.69 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 3ag1 h THR 463 CO -0.42 0.33 0.41 0.00 0.37 0.00 0.00 175.52 176.20 3ag1 h ALA 464 N 1.27 1.19 -0.35 6.16 0.00 -0.48 -1.47 119.26 125.59 3ag1 h ALA 464 Ca 0.19 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3ag1 h ALA 464 Cb 0.31 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ag1 h ALA 464 CO -0.00 0.63 -0.43 0.28 0.00 0.00 0.00 179.25 179.72 3ag1 h VAL 465 N 1.15 1.27 -0.37 0.00 2.07 0.13 -1.69 116.25 118.81 3ag1 h VAL 465 Ca 0.28 -1.61 -0.08 0.00 0.82 0.00 0.00 66.70 66.11 3ag1 h VAL 465 Cb 0.08 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3ag1 h VAL 465 CO -0.04 0.53 -0.09 0.24 0.02 0.00 0.00 177.57 178.24 3ag1 h MET 466 N 0.73 0.71 -0.92 1.57 2.86 -1.02 -2.21 114.93 116.64 3ag1 h MET 466 Ca 0.05 -0.27 0.07 0.00 -2.06 0.00 0.00 59.70 57.49 3ag1 h MET 466 Cb 1.03 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.58 3ag1 h MET 466 CO 0.10 0.86 0.59 1.25 1.06 0.00 0.00 176.91 180.78 3ag1 h LEU 467 N 0.51 0.90 -1.03 1.22 5.85 -1.17 -2.26 115.31 119.32 3ag1 h LEU 467 Ca 0.09 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3ag1 h LEU 467 Cb 0.60 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3ag1 h LEU 467 CO 0.04 0.56 0.29 -0.03 -0.34 0.00 0.00 178.44 178.95 3ag1 h MET 468 N 1.01 0.98 -0.62 1.25 4.05 -0.67 -0.48 114.93 120.45 3ag1 h MET 468 Ca 0.40 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.67 3ag1 h MET 468 Cb 0.26 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 3ag1 h MET 468 CO -0.16 0.78 0.35 0.28 0.23 0.00 0.00 176.91 178.40 3ag1 h VAL 469 N 0.96 1.19 -0.35 -5.77 2.07 -1.25 -0.87 116.25 112.22 3ag1 h VAL 469 Ca 0.23 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3ag1 h VAL 469 Cb 0.16 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3ag1 h VAL 469 CO -0.02 0.20 0.18 0.15 0.02 0.00 0.00 177.57 178.10 3ag1 h PHE 470 N 0.83 0.34 -0.98 1.57 3.57 -0.91 -0.01 116.94 121.36 3ag1 h PHE 470 Ca 0.22 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.75 3ag1 h PHE 470 Cb 0.01 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 3ag1 h PHE 470 CO -0.01 0.18 0.65 0.82 -2.23 0.00 0.00 178.31 177.71 3ag1 h ILE 471 N 0.37 1.23 -0.27 1.41 2.04 -0.38 0.14 117.51 122.06 3ag1 h ILE 471 Ca 0.15 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 3ag1 h ILE 471 Cb 0.05 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 35.93 3ag1 h ILE 471 CO -0.10 0.24 0.09 0.40 0.00 0.00 0.00 178.15 178.78 3ag1 h ILE 472 N 1.30 1.19 -0.41 -0.67 2.04 -0.72 -2.85 117.51 117.40 3ag1 h ILE 472 Ca 0.36 -0.61 0.08 0.00 1.00 0.00 0.00 64.86 65.70 3ag1 h ILE 472 Cb -0.12 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 36.97 3ag1 h ILE 472 CO -0.09 0.20 -0.26 -0.25 0.00 0.00 0.00 178.15 177.75 3ag1 h TRP 473 N 0.27 -0.70 -0.98 1.37 7.01 -0.13 -2.67 115.95 120.13 3ag1 h TRP 473 Ca 0.09 0.05 0.08 0.00 2.11 0.00 0.00 58.89 61.22 3ag1 h TRP 473 Cb 0.23 0.37 -0.07 0.00 -2.10 0.00 0.00 29.16 27.58 3ag1 h TRP 473 CO 0.00 -0.33 0.62 1.49 -2.79 0.00 0.00 178.44 177.43 3ag1 h GLU 474 N -0.19 1.06 -0.12 2.65 4.22 -0.87 0.31 114.58 121.63 3ag1 h GLU 474 Ca 0.19 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.57 3ag1 h GLU 474 Cb 0.49 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3ag1 h GLU 474 CO -0.52 0.70 0.07 0.00 -2.18 0.00 0.00 179.01 177.08 3ag1 h ALA 475 N 1.47 0.15 -0.05 2.92 0.00 -1.29 0.27 119.26 122.74 3ag1 h ALA 475 Ca 0.44 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.20 3ag1 h ALA 475 Cb 0.27 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ag1 h ALA 475 CO -0.20 -0.33 -0.50 0.74 0.00 0.00 0.00 179.25 178.95 3ag1 h PHE 476 N 0.12 0.17 -0.08 0.00 0.05 -0.89 -2.45 116.94 113.86 3ag1 h PHE 476 Ca 0.04 -0.05 -0.05 0.00 3.82 0.00 0.00 57.97 61.73 3ag1 h PHE 476 Cb 0.04 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 37.95 3ag1 h PHE 476 CO -0.05 0.62 -0.15 0.00 -0.18 0.00 0.00 178.31 178.54 3ag1 h ALA 477 N 1.38 0.12 0.04 2.45 0.00 0.23 -3.34 119.26 120.14 3ag1 h ALA 477 Ca 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.34 3ag1 h ALA 477 Cb 0.93 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3ag1 h ALA 477 CO 0.07 0.03 -1.02 0.77 0.00 0.00 0.00 179.25 179.11 3ag1 h SER 478 N -0.23 0.23 -5.48 0.00 0.02 -0.52 -3.49 113.55 104.08 3ag1 h SER 478 Ca 0.00 -0.22 -0.26 0.00 -0.84 0.00 0.00 61.79 60.47 3ag1 h SER 478 Cb 0.74 -0.07 0.20 0.00 0.14 0.00 0.00 62.40 63.40 3ag1 h SER 478 CO 0.03 1.11 -0.86 0.29 -1.14 0.00 0.00 176.83 176.26 3ag1 n LYS 479 N -3.54 -2.24 -2.86 3.45 5.02 -0.92 -4.97 118.16 112.10 3ag1 n LYS 479 Ca -0.04 0.85 -0.43 0.00 -2.02 0.00 0.00 58.31 56.67 3ag1 n LYS 479 Cb 0.91 -5.77 -0.04 0.00 -0.02 0.00 0.00 35.03 30.11 3ag1 n LYS 479 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3ag1 s ARG 480 N -4.46 3.15 0.60 1.97 0.52 -1.26 -5.02 118.95 114.44 3ag1 s ARG 480 Ca 0.46 -0.92 -0.16 0.00 -0.52 0.00 0.00 55.73 54.59 3ag1 s ARG 480 Cb -0.06 -4.30 -0.03 0.00 0.52 0.00 0.00 34.95 31.07 3ag1 s ARG 480 CO 0.75 -1.82 1.06 -1.21 0.02 0.00 0.00 175.30 174.10 3ag1 s GLU 481 N 3.94 3.27 0.08 3.54 2.02 -1.26 -1.57 118.70 128.72 3ag1 s GLU 481 Ca 0.23 1.22 -0.31 0.00 0.02 0.00 0.00 54.97 56.14 3ag1 s GLU 481 Cb -0.16 -2.02 -0.07 0.00 0.10 0.00 0.00 34.13 31.98 3ag1 s GLU 481 CO 0.08 -0.85 1.29 0.08 0.02 0.00 0.00 175.26 175.87 3ag1 s VAL 482 N -2.44 3.71 0.00 2.63 1.01 -0.80 -4.83 120.40 119.68 3ag1 s VAL 482 Ca 0.64 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.84 3ag1 s VAL 482 Cb -0.16 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3ag1 s VAL 482 CO 0.37 0.09 0.00 0.18 0.00 0.00 0.00 175.10 175.75 3ag1 n LEU 483 N 3.96 0.09 -4.20 3.92 4.77 -1.26 -4.95 117.00 119.33 3ag1 n LEU 483 Ca 0.10 0.11 -0.29 0.00 -0.03 0.00 0.00 56.01 55.90 3ag1 n LEU 483 Cb 0.45 -0.44 -0.16 0.00 -2.33 0.00 0.00 43.42 40.93 3ag1 n LEU 483 CO 0.57 -0.44 -0.54 -0.89 -1.33 0.00 0.00 177.39 174.76 3ag1 s THR 484 N -0.88 1.79 -0.11 -5.08 2.01 -1.26 -5.10 115.64 107.01 3ag1 s THR 484 Ca 0.00 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 3ag1 s THR 484 Cb 0.00 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 3ag1 s THR 484 CO 0.00 0.50 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.68 3ag1 s VAL 485 N 0.02 3.72 0.47 3.82 1.01 -1.26 -5.13 120.40 123.05 3ag1 s VAL 485 Ca -0.06 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 3ag1 s VAL 485 Cb -0.14 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 3ag1 s VAL 485 CO 0.04 0.55 0.77 -0.62 0.00 0.00 0.00 175.10 175.85 3ag1 s ASP 486 N -0.29 6.27 -1.59 3.32 -1.08 -1.26 -4.51 116.67 117.53 3ag1 s ASP 486 Ca 0.04 0.91 -0.01 0.00 -0.52 0.00 0.00 52.55 52.97 3ag1 s ASP 486 Cb -0.13 -2.24 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 3ag1 s ASP 486 CO 0.02 -0.56 0.11 0.18 0.52 0.00 0.00 175.17 175.44 3ag1 n LEU 487 N -2.23 -1.89 0.30 -1.34 4.77 -1.26 -4.87 117.00 110.48 3ag1 n LEU 487 Ca 0.00 -0.03 0.18 0.00 -0.03 0.00 0.00 56.01 56.14 3ag1 n LEU 487 Cb 0.55 -2.77 0.91 0.00 -2.33 0.00 0.00 43.42 39.78 3ag1 n LEU 487 CO 0.53 -0.12 1.07 0.71 -1.33 0.00 0.00 177.39 178.24 3ag1 h THR 488 N -0.24 0.14 0.00 -5.08 1.35 -1.86 -2.76 112.91 104.46 3ag1 h THR 488 Ca -0.46 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.07 3ag1 h THR 488 Cb 1.33 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3ag1 h THR 488 CO 0.53 0.03 -0.07 0.71 -0.25 0.00 0.00 175.52 176.47 3ag1 h THR 489 N 0.00 0.53 -0.04 6.82 1.35 -1.97 -1.74 112.91 117.86 3ag1 h THR 489 Ca -0.00 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.54 3ag1 h THR 489 Cb 0.27 1.21 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 3ag1 h THR 489 CO 0.00 0.07 -0.10 0.35 -0.25 0.00 0.00 175.52 175.59 3ag1 n THR 490 N -3.70 2.02 -3.17 6.82 -2.24 -1.05 -4.79 114.28 108.17 3ag1 n THR 490 Ca -0.02 -2.45 -0.21 0.00 -2.27 0.00 0.00 64.05 59.09 3ag1 n THR 490 Cb 0.17 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.10 3ag1 n THR 490 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ag1 n ASN 491 N -1.27 -0.87 0.17 3.42 3.02 -0.65 -4.99 115.26 114.08 3ag1 n ASN 491 Ca 0.18 -2.66 0.17 0.00 -0.03 0.00 0.00 54.58 52.24 3ag1 n ASN 491 Cb 0.69 -0.05 0.78 0.00 -0.61 0.00 0.00 39.78 40.59 3ag1 n ASN 491 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3ag1 h LEU 492 N 4.78 0.00 -2.27 3.41 5.85 -1.87 -1.61 115.31 123.59 3ag1 h LEU 492 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3ag1 h LEU 492 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3ag1 h LEU 492 CO 0.36 0.00 0.00 1.05 -0.34 0.00 0.00 178.44 179.51 3ag1 h GLU 493 N 0.00 0.00 -0.00 1.25 9.09 -1.91 -1.28 114.58 121.73 3ag1 h GLU 493 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.52 3ag1 h GLU 493 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 3ag1 h GLU 493 CO -0.00 0.00 -0.20 0.91 0.05 0.00 0.00 179.01 179.76 3ag1 n TRP 494 N -3.08 0.00 1.00 2.06 7.02 -0.61 -4.42 117.44 119.42 3ag1 n TRP 494 Ca -0.01 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.59 3ag1 n TRP 494 Cb 0.18 -0.31 0.57 0.00 -2.42 0.00 0.00 31.31 29.33 3ag1 n TRP 494 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 3ag1 n LEU 495 N -1.31 0.00 -1.07 -0.99 7.94 -0.48 -2.42 117.00 118.68 3ag1 n LEU 495 Ca 0.09 0.40 0.08 0.00 -1.11 0.00 0.00 56.01 55.47 3ag1 n LEU 495 Cb 0.32 -0.40 0.26 0.00 0.53 0.00 0.00 43.42 44.13 3ag1 n LEU 495 CO 0.29 -0.07 0.72 0.59 -1.11 0.00 0.00 177.39 177.81 3ag1 n ASN 496 N -1.40 3.75 0.00 1.96 3.02 -1.26 -5.07 115.26 116.26 3ag1 n ASN 496 Ca 0.09 -2.25 0.00 0.00 -0.03 0.00 0.00 54.58 52.39 3ag1 n ASN 496 Cb 0.24 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 3ag1 n ASN 496 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ag1 n GLY 497 N 0.77 -0.99 3.15 7.41 0.00 -1.01 -4.20 105.19 110.33 3ag1 n GLY 497 Ca 0.19 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 3ag1 n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ag1 s PRO 499 N 1.30 3.79 0.76 0.00 0.04 -1.26 -4.24 135.00 135.39 3ag1 s PRO 499 Ca 0.02 0.91 -0.11 0.00 0.04 0.00 0.00 61.00 61.87 3ag1 s PRO 499 Cb -0.15 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.33 3ag1 s PRO 499 CO -0.09 -0.41 1.08 -1.25 0.04 0.00 0.00 177.00 176.38 3ag1 s PRO 500 N -4.40 2.37 1.01 0.56 0.04 -0.77 -4.98 135.00 128.83 3ag1 s PRO 500 Ca 0.58 1.03 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 3ag1 s PRO 500 Cb -0.11 -1.92 0.20 0.00 0.04 0.00 0.00 34.50 32.71 3ag1 s PRO 500 CO 0.38 -1.52 1.08 -1.25 0.04 0.00 0.00 177.00 175.74 3ag1 s PRO 501 N -4.97 0.32 0.14 0.56 0.04 -1.26 -4.91 135.00 124.92 3ag1 s PRO 501 Ca 0.60 1.01 -0.26 0.00 0.04 0.00 0.00 61.00 62.39 3ag1 s PRO 501 Cb -0.16 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 3ag1 s PRO 501 CO 0.56 -2.94 1.60 -0.92 0.04 0.00 0.00 177.00 175.35 3ag1 h TYR 502 N -2.06 -0.93 -3.63 0.56 5.03 -2.00 -3.30 116.97 110.63 3ag1 h TYR 502 Ca -0.53 0.04 -0.69 0.00 2.58 0.00 0.00 58.73 60.14 3ag1 h TYR 502 Cb 1.30 0.44 -0.21 0.00 1.55 0.00 0.00 36.73 39.81 3ag1 h TYR 502 CO 0.38 -0.41 -0.49 -1.01 -1.32 0.00 0.00 178.16 175.32 3ag1 s HIS 503 N -5.98 3.22 0.27 -3.82 3.76 -1.26 -4.90 115.29 106.58 3ag1 s HIS 503 Ca -0.15 -0.47 0.08 0.00 -0.15 0.00 0.00 55.06 54.36 3ag1 s HIS 503 Cb 0.11 -2.47 -0.04 0.00 1.11 0.00 0.00 32.58 31.29 3ag1 s HIS 503 CO 0.66 -0.47 0.18 0.95 -0.85 0.00 0.00 174.74 175.21 3ag1 s THR 504 N 1.67 4.11 -1.39 1.30 -4.23 -1.25 -4.60 115.64 111.25 3ag1 s THR 504 Ca 0.05 -1.49 -0.05 0.00 -1.18 0.00 0.00 61.69 59.02 3ag1 s THR 504 Cb -0.18 -3.27 0.03 0.00 1.34 0.00 0.00 72.50 70.42 3ag1 s THR 504 CO 0.09 -0.32 0.37 0.49 -0.54 0.00 0.00 174.62 174.71 3ag1 n PHE 505 N -1.16 -1.68 0.02 3.99 3.72 -1.26 -4.40 117.46 116.69 3ag1 n PHE 505 Ca -0.07 0.33 0.09 0.00 -0.05 0.00 0.00 57.45 57.76 3ag1 n PHE 505 Cb 0.58 -3.57 0.52 0.00 -0.94 0.00 0.00 39.48 36.08 3ag1 n PHE 505 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3ag1 h GLU 506 N -0.80 0.32 -4.96 -1.08 5.08 -1.94 -3.30 114.58 107.91 3ag1 h GLU 506 Ca -0.44 -0.02 -0.65 0.00 -1.00 0.00 0.00 59.36 57.24 3ag1 h GLU 506 Cb 1.31 -0.07 -0.25 0.00 0.50 0.00 0.00 28.75 30.24 3ag1 h GLU 506 CO 0.51 0.21 -0.66 -2.00 -1.00 0.00 0.00 179.01 176.07 3ag1 s GLU 507 N -5.32 3.52 1.02 2.33 2.12 -1.26 -5.11 118.70 116.01 3ag1 s GLU 507 Ca -0.07 -0.55 -0.12 0.00 0.36 0.00 0.00 54.97 54.59 3ag1 s GLU 507 Cb 0.18 -3.20 0.20 0.00 0.26 0.00 0.00 34.13 31.58 3ag1 s GLU 507 CO 0.72 -0.20 1.08 -2.14 -0.54 0.00 0.00 175.26 174.18 3ag1 s PRO 508 N 1.56 0.22 0.79 4.30 0.02 -1.24 -5.00 135.00 135.64 3ag1 s PRO 508 Ca 0.06 0.64 -0.11 0.00 0.02 0.00 0.00 61.00 61.61 3ag1 s PRO 508 Cb -0.15 -1.70 0.06 0.00 0.02 0.00 0.00 34.50 32.73 3ag1 s PRO 508 CO 0.01 -2.90 1.09 0.95 -0.33 0.00 0.00 177.00 175.81 3ag1 s THR 509 N -2.85 3.29 -0.24 0.99 -4.23 -1.26 -5.03 115.64 106.32 3ag1 s THR 509 Ca 0.66 0.42 -0.07 0.00 -1.18 0.00 0.00 61.69 61.52 3ag1 s THR 509 Cb -0.20 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 3ag1 s THR 509 CO 0.59 -0.55 0.05 -0.47 -0.54 0.00 0.00 174.62 173.70 3ag1 s TYR 510 N -2.95 3.07 -0.17 3.99 6.14 -1.26 -5.02 117.35 121.15 3ag1 s TYR 510 Ca 0.61 -0.48 -0.03 0.00 0.64 0.00 0.00 57.07 57.81 3ag1 s TYR 510 Cb -0.17 -2.20 0.05 0.00 0.42 0.00 0.00 41.96 40.07 3ag1 s TYR 510 CO 0.56 -0.35 0.04 0.08 0.64 0.00 0.00 175.55 176.51 3ag1 s VAL 511 N 1.49 0.40 0.34 3.14 1.01 -1.26 -5.14 120.40 120.38 3ag1 s VAL 511 Ca 0.06 -0.37 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 3ag1 s VAL 511 Cb -0.15 -0.87 -0.11 0.00 0.00 0.00 0.00 36.38 35.25 3ag1 s VAL 511 CO 0.02 -0.14 1.49 0.20 0.00 0.00 0.00 175.10 176.68 3ag1 s ASN 512 N 1.92 6.42 0.01 3.32 0.02 -1.26 -4.50 114.94 120.87 3ag1 s ASN 512 Ca 0.01 2.95 -0.25 0.00 -1.02 0.00 0.00 52.86 54.55 3ag1 s ASN 512 Cb -0.16 -2.65 -0.17 0.00 0.02 0.00 0.00 41.25 38.28 3ag1 s ASN 512 CO -0.08 -0.83 1.33 0.25 0.02 0.00 0.00 177.10 177.79 3ag1 h LEU 513 N 3.75 -0.21 0.00 0.60 6.46 -1.98 -3.48 115.31 120.45 3ag1 h LEU 513 Ca -0.49 -0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.04 3ag1 h LEU 513 Cb 1.23 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 3ag1 h LEU 513 CO 0.70 0.14 0.00 0.29 -0.62 0.00 0.00 178.44 178.94