#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 n ILE 8 N 0.00 0.00 -0.12 -0.18 0.13 -1.26 -5.07 119.36 112.86 3ag3 n ILE 8 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3ag3 n ILE 8 Cb 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 39.64 38.64 3ag3 n ILE 8 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3ag3 n LYS 9 N -2.92 3.45 -1.97 9.51 3.00 -1.26 -4.92 118.16 123.04 3ag3 n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3ag3 n LYS 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3ag3 n LYS 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3ag3 n ASN 10 N 0.00 -1.08 -4.64 3.14 3.02 -1.26 -5.04 115.26 109.40 3ag3 n ASN 10 Ca 0.00 0.00 -0.47 0.00 -0.03 0.00 0.00 54.58 54.08 3ag3 n ASN 10 Cb 0.00 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 38.66 3ag3 n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ag3 n TYR 11 N -3.67 1.89 -0.02 3.10 4.19 -1.26 -4.92 117.16 116.46 3ag3 n TYR 11 Ca 0.00 0.49 -0.05 0.00 3.31 0.00 0.00 57.90 61.65 3ag3 n TYR 11 Cb 0.48 -2.41 -0.02 0.00 0.49 0.00 0.00 39.34 37.88 3ag3 n TYR 11 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 3ag3 n GLN 12 N 2.24 0.24 -4.04 2.98 6.02 -1.26 -5.11 117.38 118.45 3ag3 n GLN 12 Ca 0.14 0.10 -0.11 0.00 -0.01 0.00 0.00 57.00 57.12 3ag3 n GLN 12 Cb 0.28 -0.92 -0.05 0.00 1.02 0.00 0.00 30.24 30.57 3ag3 n GLN 12 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3ag3 s THR 13 N -2.38 0.00 0.15 5.09 -1.32 -1.26 -5.12 115.64 110.79 3ag3 s THR 13 Ca -0.13 -1.52 -0.31 0.00 -1.21 0.00 0.00 61.69 58.51 3ag3 s THR 13 Cb 0.02 -2.39 -0.11 0.00 -1.51 0.00 0.00 72.50 68.51 3ag3 s THR 13 CO 0.19 0.00 1.77 0.00 -2.21 0.00 0.00 174.62 174.38 3ag3 s ALA 14 N -3.68 3.81 0.84 11.08 0.00 -1.26 -4.99 121.76 127.55 3ag3 s ALA 14 Ca 0.27 1.47 -0.12 0.00 0.00 0.00 0.00 51.96 53.58 3ag3 s ALA 14 Cb 0.00 -3.73 0.10 0.00 0.00 0.00 0.00 23.12 19.48 3ag3 s ALA 14 CO 0.13 -1.11 1.12 -1.25 0.00 0.00 0.00 175.76 174.64 3ag3 s PRO 15 N 2.21 1.73 0.26 0.00 0.04 -1.26 -4.98 135.00 133.00 3ag3 s PRO 15 Ca 0.78 0.47 -0.28 0.00 0.04 0.00 0.00 61.00 62.01 3ag3 s PRO 15 Cb -0.47 -1.89 -0.15 0.00 0.04 0.00 0.00 34.50 32.03 3ag3 s PRO 15 CO 0.35 -1.83 0.88 0.34 0.04 0.00 0.00 177.00 176.77 3ag3 n PHE 16 N -3.55 0.77 -3.89 0.56 -0.00 -1.26 -4.99 117.46 105.11 3ag3 n PHE 16 Ca 0.07 0.78 -0.28 0.00 -0.00 0.00 0.00 57.45 58.02 3ag3 n PHE 16 Cb 0.58 -2.17 -0.16 0.00 -0.00 0.00 0.00 39.48 37.72 3ag3 n PHE 16 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3ag3 s ASP 17 N -0.66 2.75 0.42 -2.13 -1.08 -1.26 -5.01 116.67 109.70 3ag3 s ASP 17 Ca 0.61 -0.62 0.29 0.00 -0.52 0.00 0.00 52.55 52.31 3ag3 s ASP 17 Cb -0.78 -0.89 1.33 0.00 -1.46 0.00 0.00 42.92 41.13 3ag3 s ASP 17 CO 0.58 -0.18 1.88 0.77 0.52 0.00 0.00 175.17 178.75 3ag3 h SER 18 N 8.13 0.00 0.30 -0.34 4.64 -2.00 0.47 113.55 124.75 3ag3 h SER 18 Ca -0.24 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 3ag3 h SER 18 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3ag3 h SER 18 CO 0.40 0.00 -0.09 0.03 -0.87 0.00 0.00 176.83 176.30 3ag3 h ARG 19 N 0.00 0.00 -2.24 4.77 3.08 -2.02 -3.35 114.38 114.61 3ag3 h ARG 19 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3ag3 h ARG 19 Cb 0.31 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 29.97 3ag3 h ARG 19 CO 0.00 0.09 -0.96 1.19 -1.07 0.00 0.00 179.97 179.22 3ag3 n PHE 20 N -3.66 0.20 1.18 3.04 3.01 0.16 -4.98 117.46 116.41 3ag3 n PHE 20 Ca -0.02 -3.60 0.13 0.00 1.01 0.00 0.00 57.45 54.97 3ag3 n PHE 20 Cb 0.21 -0.18 0.41 0.00 -0.01 0.00 0.00 39.48 39.90 3ag3 n PHE 20 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3ag3 n PRO 21 N 1.89 0.47 -1.42 -1.08 -0.04 -1.24 -4.60 135.00 128.98 3ag3 n PRO 21 Ca 0.25 -0.24 -0.01 0.00 -0.04 0.00 0.00 63.50 63.47 3ag3 n PRO 21 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3ag3 n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ag3 n ASN 22 N -1.05 0.78 -0.04 3.54 3.02 -1.26 -5.04 115.26 115.20 3ag3 n ASN 22 Ca 0.10 -1.04 -0.13 0.00 -0.03 0.00 0.00 54.58 53.49 3ag3 n ASN 22 Cb 0.33 -0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.49 3ag3 n ASN 22 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3ag3 h GLN 23 N 0.00 0.74 -6.44 3.52 4.20 -2.06 -3.40 115.11 111.67 3ag3 h GLN 23 Ca -0.01 -0.48 -0.57 0.00 0.06 0.00 0.00 58.65 57.66 3ag3 h GLN 23 Cb 0.03 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.80 3ag3 h GLN 23 CO 0.01 1.10 0.87 1.21 -0.67 0.00 0.00 178.83 181.35 3ag3 s ASN 24 N -6.95 6.84 -0.10 1.46 2.47 -1.26 -4.87 114.94 112.53 3ag3 s ASN 24 Ca -0.09 0.87 0.15 0.00 0.42 0.00 0.00 52.86 54.21 3ag3 s ASN 24 Cb 0.11 -2.55 0.53 0.00 -1.45 0.00 0.00 41.25 37.89 3ag3 s ASN 24 CO 0.87 -1.00 1.45 0.00 -3.72 0.00 0.00 177.10 174.70 3ag3 n GLN 25 N 7.18 3.24 -0.23 0.43 1.13 -1.26 -4.59 117.38 123.27 3ag3 n GLN 25 Ca 0.12 -2.62 -0.03 0.00 -1.94 0.00 0.00 57.00 52.53 3ag3 n GLN 25 Cb 0.48 -1.69 0.08 0.00 0.11 0.00 0.00 30.24 29.21 3ag3 n GLN 25 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3ag3 h THR 26 N 2.72 1.06 0.00 5.09 2.02 -1.97 -2.07 112.91 119.75 3ag3 h THR 26 Ca 0.00 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.83 3ag3 h THR 26 Cb 1.24 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3ag3 h THR 26 CO 0.16 0.14 -0.41 -0.09 0.37 0.00 0.00 175.52 175.69 3ag3 h ARG 27 N 0.77 0.00 -0.10 6.66 9.65 -1.99 -0.29 114.38 129.08 3ag3 h ARG 27 Ca 0.27 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.14 3ag3 h ARG 27 Cb 0.06 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.64 3ag3 h ARG 27 CO -0.12 0.41 0.02 -0.97 2.80 0.00 0.00 179.97 182.11 3ag3 h ASN 28 N 0.00 0.16 -0.00 -3.80 -0.73 -1.71 0.24 115.58 109.73 3ag3 h ASN 28 Ca -0.00 -0.24 0.03 0.00 1.87 0.00 0.00 56.30 57.96 3ag3 h ASN 28 Cb 0.82 -0.04 -0.05 0.00 0.27 0.00 0.00 38.32 39.32 3ag3 h ASN 28 CO 0.05 0.35 -0.28 0.00 -0.37 0.00 0.00 177.43 177.19 3ag3 h TRP 30 N -0.42 0.97 -0.65 0.00 2.91 -0.88 -1.40 115.95 116.48 3ag3 h TRP 30 Ca 0.06 -0.03 -0.08 0.00 1.13 0.00 0.00 58.89 59.98 3ag3 h TRP 30 Cb 0.51 -0.31 -0.03 0.00 -0.51 0.00 0.00 29.16 28.82 3ag3 h TRP 30 CO -0.31 0.70 0.11 0.37 -1.03 0.00 0.00 178.44 178.28 3ag3 h GLN 31 N 0.97 1.07 0.00 2.65 5.75 -0.41 -0.98 115.11 124.15 3ag3 h GLN 31 Ca 0.25 -0.28 -0.18 0.00 -0.15 0.00 0.00 58.65 58.29 3ag3 h GLN 31 Cb 0.06 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 3ag3 h GLN 31 CO -0.04 0.97 -0.84 -0.91 -2.65 0.00 0.00 178.83 175.37 3ag3 h ASN 32 N 1.00 0.00 -0.04 -0.69 2.35 -1.29 0.24 115.58 117.16 3ag3 h ASN 32 Ca 0.20 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3ag3 h ASN 32 Cb 0.42 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 3ag3 h ASN 32 CO 0.01 0.84 0.01 0.22 -1.65 0.00 0.00 177.43 176.86 3ag3 h TYR 33 N 0.00 0.06 0.16 1.19 3.20 -0.81 -0.26 116.97 120.52 3ag3 h TYR 33 Ca -0.01 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.87 3ag3 h TYR 33 Cb 1.49 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.72 3ag3 h TYR 33 CO 0.00 0.25 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.46 3ag3 h LEU 34 N -0.14 -0.65 -0.79 2.82 3.38 -1.02 -1.96 115.31 116.94 3ag3 h LEU 34 Ca 0.01 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.19 3ag3 h LEU 34 Cb 0.22 0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 3ag3 h LEU 34 CO -0.00 -0.33 0.37 0.44 0.09 0.00 0.00 178.44 179.01 3ag3 h ASP 35 N -0.46 0.43 -0.02 -0.43 3.45 -0.44 0.43 116.42 119.37 3ag3 h ASP 35 Ca 0.02 0.09 0.02 0.00 0.43 0.00 0.00 57.03 57.59 3ag3 h ASP 35 Cb 0.46 0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 39.24 3ag3 h ASP 35 CO -0.10 0.18 -0.13 0.15 -1.57 0.00 0.00 179.24 177.77 3ag3 h PHE 36 N 0.55 -0.34 0.00 4.55 3.57 -0.78 -1.27 116.94 123.23 3ag3 h PHE 36 Ca 0.43 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.85 3ag3 h PHE 36 Cb 0.60 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 3ag3 h PHE 36 CO -0.12 -0.20 -0.46 0.45 -2.23 0.00 0.00 178.31 175.75 3ag3 h HIS 37 N -0.21 0.00 -0.08 0.41 3.86 -0.90 0.12 115.15 118.35 3ag3 h HIS 37 Ca 0.05 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3ag3 h HIS 37 Cb 0.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 3ag3 h HIS 37 CO -0.20 0.46 -0.06 0.00 0.86 0.00 0.00 177.93 178.98 3ag3 h ARG 38 N 0.00 0.18 -0.31 2.45 3.08 -0.82 -0.56 114.38 118.40 3ag3 h ARG 38 Ca -0.00 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3ag3 h ARG 38 Cb 1.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 3ag3 h ARG 38 CO 0.06 0.59 0.11 0.00 -1.07 0.00 0.00 179.97 179.66 3ag3 h GLU 40 N 0.35 0.79 0.65 0.00 4.81 -0.72 0.80 114.58 121.26 3ag3 h GLU 40 Ca 0.10 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3ag3 h GLU 40 Cb 0.21 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.45 3ag3 h GLU 40 CO -0.01 0.65 -0.31 -0.22 -0.73 0.00 0.00 179.01 178.39 3ag3 h LYS 41 N 0.78 -0.84 -0.79 1.92 3.64 -0.03 -0.16 116.57 121.08 3ag3 h LYS 41 Ca 0.19 0.06 0.18 0.00 -1.27 0.00 0.00 60.65 59.80 3ag3 h LYS 41 Cb 0.16 0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 32.03 3ag3 h LYS 41 CO -0.02 -0.53 -0.06 0.00 -2.27 0.00 0.00 179.45 176.58 3ag3 h ALA 42 N -0.73 0.75 0.01 5.00 0.00 -0.09 -1.48 119.26 122.70 3ag3 h ALA 42 Ca -0.09 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ag3 h ALA 42 Cb 0.70 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ag3 h ALA 42 CO 0.15 -0.43 -0.00 0.52 0.00 0.00 0.00 179.25 179.48 3ag3 h MET 43 N 0.06 -0.01 -0.99 0.00 2.86 -0.77 -1.26 114.93 114.81 3ag3 h MET 43 Ca 0.42 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 58.28 3ag3 h MET 43 Cb 0.74 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 32.21 3ag3 h MET 43 CO -0.74 -0.01 -0.20 1.15 1.06 0.00 0.00 176.91 178.17 3ag3 h THR 44 N -0.01 0.01 0.00 2.22 2.02 -1.01 -2.41 112.91 113.72 3ag3 h THR 44 Ca -0.00 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3ag3 h THR 44 Cb 0.01 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 3ag3 h THR 44 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 3ag3 n ALA 45 N -3.53 0.00 0.00 6.16 0.00 -0.56 -3.41 120.51 119.17 3ag3 n ALA 45 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3ag3 n ALA 45 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3ag3 n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ag3 n LYS 46 N -0.15 0.00 -3.81 0.00 4.76 -0.48 -4.60 118.16 113.89 3ag3 n LYS 46 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 3ag3 n LYS 46 Cb 0.00 -0.89 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 3ag3 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ag3 n GLY 47 N 0.19 -1.22 0.00 0.72 0.00 -0.98 -5.01 105.19 98.90 3ag3 n GLY 47 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.57 3ag3 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 48 N -1.74 5.11 2.92 -0.02 0.00 -1.02 -5.06 105.19 105.39 3ag3 n GLY 48 Ca -0.26 -1.83 -0.23 0.00 0.00 0.00 0.00 46.02 43.70 3ag3 n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ag3 s ASP 49 N 0.94 1.46 0.46 1.61 3.68 -1.26 -4.68 116.67 118.88 3ag3 s ASP 49 Ca 0.00 -0.20 0.14 0.00 2.13 0.00 0.00 52.55 54.61 3ag3 s ASP 49 Cb 0.00 -0.63 1.10 0.00 -1.45 0.00 0.00 42.92 41.94 3ag3 s ASP 49 CO 0.00 -0.05 2.05 0.58 0.13 0.00 0.00 175.17 177.89 3ag3 h VAL 50 N 6.11 0.97 -1.23 1.11 2.07 -1.93 -2.35 116.25 121.00 3ag3 h VAL 50 Ca -0.33 -0.10 0.38 0.00 0.82 0.00 0.00 66.70 67.48 3ag3 h VAL 50 Cb 1.16 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 3ag3 h VAL 50 CO 0.44 0.05 0.85 -1.54 0.02 0.00 0.00 177.57 177.40 3ag3 n SER 51 N -4.48 0.06 0.11 0.57 3.41 -1.26 0.35 113.62 112.39 3ag3 n SER 51 Ca 0.04 0.83 0.13 0.00 -0.26 0.00 0.00 58.87 59.61 3ag3 n SER 51 Cb 0.23 -0.41 0.45 0.00 -0.26 0.00 0.00 64.21 64.21 3ag3 n SER 51 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3ag3 n VAL 52 N -3.69 0.69 1.08 -3.33 0.24 -0.89 -2.79 118.33 109.64 3ag3 n VAL 52 Ca 0.31 -0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.69 3ag3 n VAL 52 Cb 1.31 -0.84 0.44 0.00 -1.47 0.00 0.00 33.84 33.28 3ag3 n VAL 52 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ag3 h GLU 54 N 0.15 0.06 -0.59 0.00 4.57 -1.59 -2.12 114.58 115.06 3ag3 h GLU 54 Ca 0.00 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 3ag3 h GLU 54 Cb 0.48 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.00 3ag3 h GLU 54 CO 0.00 0.04 0.29 2.35 -1.18 0.00 0.00 179.01 180.51 3ag3 h TRP 55 N 0.06 0.52 -0.37 0.92 2.91 -1.86 -0.45 115.95 117.68 3ag3 h TRP 55 Ca 0.49 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.44 3ag3 h TRP 55 Cb 0.91 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.40 3ag3 h TRP 55 CO -0.48 0.22 -0.16 1.88 -1.03 0.00 0.00 178.44 178.87 3ag3 h TYR 56 N 0.53 0.74 -0.65 2.65 0.99 -1.73 -1.21 116.97 118.29 3ag3 h TYR 56 Ca 0.27 -0.14 -0.02 0.00 2.00 0.00 0.00 58.73 60.85 3ag3 h TYR 56 Cb 0.23 -0.19 -0.03 0.00 1.00 0.00 0.00 36.73 37.74 3ag3 h TYR 56 CO -0.11 0.78 0.34 -0.09 -0.00 0.00 0.00 178.16 179.08 3ag3 h ARG 57 N 0.60 0.91 -0.31 4.88 2.43 -1.03 -1.23 114.38 120.63 3ag3 h ARG 57 Ca 0.10 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 3ag3 h ARG 57 Cb 0.61 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3ag3 h ARG 57 CO 0.04 0.71 -0.30 0.00 -1.51 0.00 0.00 179.97 178.91 3ag3 h ARG 58 N 0.89 0.75 -0.16 0.20 2.47 -0.47 -1.67 114.38 116.39 3ag3 h ARG 58 Ca 0.23 -0.39 -0.01 0.00 -1.26 0.00 0.00 59.98 58.54 3ag3 h ARG 58 Cb 0.08 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 3ag3 h ARG 58 CO -0.03 1.02 0.07 0.28 0.56 0.00 0.00 179.97 181.87 3ag3 h VAL 59 N 0.52 1.14 -0.01 2.04 2.07 -1.12 -1.13 116.25 119.76 3ag3 h VAL 59 Ca 0.05 -0.40 -0.17 0.00 0.82 0.00 0.00 66.70 67.00 3ag3 h VAL 59 Cb 0.87 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3ag3 h VAL 59 CO 0.07 0.13 -0.77 0.10 0.02 0.00 0.00 177.57 177.12 3ag3 h TYR 60 N 0.12 0.11 -0.54 1.57 -0.00 -1.21 -1.91 116.97 115.11 3ag3 h TYR 60 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 58.73 58.75 3ag3 h TYR 60 Cb 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 36.73 36.82 3ag3 h TYR 60 CO -0.02 0.82 0.34 0.87 -0.00 0.00 0.00 178.16 180.17 3ag3 h LYS 61 N 0.05 0.67 -0.68 0.10 1.79 -1.23 0.15 116.57 117.41 3ag3 h LYS 61 Ca -0.02 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.34 3ag3 h LYS 61 Cb 1.36 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.83 3ag3 h LYS 61 CO 0.11 0.44 0.14 0.77 -1.08 0.00 0.00 179.45 179.83 3ag3 h SER 62 N 0.69 1.04 0.21 0.86 0.02 -0.91 -3.36 113.55 112.10 3ag3 h SER 62 Ca 0.21 -0.23 -0.35 0.00 -0.84 0.00 0.00 61.79 60.59 3ag3 h SER 62 Cb -0.02 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.20 3ag3 h SER 62 CO -0.07 1.01 -2.01 0.18 -1.14 0.00 0.00 176.83 174.80 3ag3 n LEU 63 N -4.23 1.91 -4.77 5.07 4.77 -0.74 -4.95 117.00 114.06 3ag3 n LEU 63 Ca 0.05 0.21 -0.39 0.00 -0.03 0.00 0.00 56.01 55.84 3ag3 n LEU 63 Cb 0.27 -0.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 3ag3 n LEU 63 CO 0.42 0.69 0.40 0.00 -1.33 0.00 0.00 177.39 177.57 3ag3 n PRO 65 N 2.37 1.74 -0.28 0.00 -0.02 -1.26 -4.83 135.00 132.73 3ag3 n PRO 65 Ca -0.05 0.61 0.11 0.00 -2.02 0.00 0.00 63.50 62.14 3ag3 n PRO 65 Cb 0.50 -2.10 0.35 0.00 -0.02 0.00 0.00 33.50 32.24 3ag3 n PRO 65 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3ag3 h ILE 66 N 2.34 0.86 -0.09 4.25 2.04 -1.95 -1.97 117.51 123.00 3ag3 h ILE 66 Ca -0.43 -0.26 -0.13 0.00 1.00 0.00 0.00 64.86 65.05 3ag3 h ILE 66 Cb 1.31 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3ag3 h ILE 66 CO 0.63 0.14 -0.52 0.77 0.00 0.00 0.00 178.15 179.16 3ag3 h SER 67 N 0.74 0.26 0.07 1.72 4.64 -1.99 0.01 113.55 119.00 3ag3 h SER 67 Ca 0.44 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3ag3 h SER 67 Cb 0.64 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3ag3 h SER 67 CO -0.20 0.74 -0.03 -0.50 -0.87 0.00 0.00 176.83 175.96 3ag3 h TRP 68 N 0.19 -0.09 -0.45 4.77 4.06 -1.73 -1.29 115.95 121.40 3ag3 h TRP 68 Ca 0.00 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.98 3ag3 h TRP 68 Cb 0.98 0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 29.14 3ag3 h TRP 68 CO 0.02 0.16 0.26 0.28 -3.56 0.00 0.00 178.44 175.60 3ag3 h VAL 69 N -0.33 1.03 -0.42 1.49 2.07 -1.17 0.17 116.25 119.09 3ag3 h VAL 69 Ca -0.01 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 3ag3 h VAL 69 Cb 0.29 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3ag3 h VAL 69 CO 0.02 0.09 -0.16 -1.28 0.02 0.00 0.00 177.57 176.26 3ag3 h SER 70 N 0.52 0.80 -0.45 0.57 0.87 -1.00 0.20 113.55 115.06 3ag3 h SER 70 Ca 0.18 -0.26 -0.07 0.00 -1.23 0.00 0.00 61.79 60.41 3ag3 h SER 70 Cb 0.03 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 3ag3 h SER 70 CO -0.09 0.96 -0.01 0.74 -0.53 0.00 0.00 176.83 177.90 3ag3 h THR 71 N 0.71 1.26 -0.42 2.23 2.02 -0.92 -0.63 112.91 117.17 3ag3 h THR 71 Ca 0.11 -1.05 -0.13 0.00 0.77 0.00 0.00 66.41 66.11 3ag3 h THR 71 Cb 0.66 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3ag3 h THR 71 CO 0.05 0.36 -0.24 -0.50 0.37 0.00 0.00 175.52 175.56 3ag3 h TRP 72 N 0.64 1.00 -0.77 3.16 6.55 -0.40 -1.40 115.95 124.71 3ag3 h TRP 72 Ca 0.13 -0.24 -0.03 0.00 0.95 0.00 0.00 58.89 59.69 3ag3 h TRP 72 Cb 0.50 -0.23 -0.04 0.00 -0.86 0.00 0.00 29.16 28.54 3ag3 h TRP 72 CO 0.04 1.02 0.36 -0.44 -1.05 0.00 0.00 178.44 178.37 3ag3 h ASP 73 N 0.75 1.02 -0.82 -3.49 3.45 -0.88 0.27 116.42 116.72 3ag3 h ASP 73 Ca 0.10 -0.14 0.01 0.00 0.43 0.00 0.00 57.03 57.42 3ag3 h ASP 73 Cb 0.79 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 39.25 3ag3 h ASP 73 CO 0.07 0.88 0.53 0.44 -1.57 0.00 0.00 179.24 179.59 3ag3 h ASP 74 N 1.10 0.95 0.36 6.45 3.32 -0.75 -1.94 116.42 125.90 3ag3 h ASP 74 Ca 0.26 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 57.10 3ag3 h ASP 74 Cb 0.13 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3ag3 h ASP 74 CO -0.03 0.69 -0.77 0.03 -1.72 0.00 0.00 179.24 177.44 3ag3 h ARG 75 N 1.11 0.33 -0.48 3.56 3.08 -0.77 0.19 114.38 121.40 3ag3 h ARG 75 Ca 0.30 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 60.07 3ag3 h ARG 75 Cb -0.12 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3ag3 h ARG 75 CO -0.06 0.95 0.30 0.00 -1.07 0.00 0.00 179.97 180.09 3ag3 h ARG 76 N 0.22 0.59 -0.33 0.04 3.08 -0.79 0.15 114.38 117.34 3ag3 h ARG 76 Ca -0.04 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3ag3 h ARG 76 Cb 1.36 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 3ag3 h ARG 76 CO 0.13 0.39 0.11 0.00 -1.07 0.00 0.00 179.97 179.53 3ag3 h ALA 77 N 1.20 1.59 0.00 0.04 0.00 -1.15 -1.83 119.26 119.10 3ag3 h ALA 77 Ca 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3ag3 h ALA 77 Cb -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ag3 h ALA 77 CO -0.06 0.32 -0.28 1.49 0.00 0.00 0.00 179.25 180.72 3ag3 h GLU 78 N 0.46 0.00 0.00 0.00 4.81 -0.45 -3.47 114.58 115.93 3ag3 h GLU 78 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3ag3 h GLU 78 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3ag3 h GLU 78 CO -0.01 0.12 0.00 0.41 -0.73 0.00 0.00 179.01 178.80 3ag3 n GLY 79 N 1.15 0.54 0.21 1.92 0.00 0.27 -4.96 105.19 104.32 3ag3 n GLY 79 Ca 0.03 -0.83 0.09 0.00 0.00 0.00 0.00 46.02 45.30 3ag3 n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ag3 n THR 80 N -2.82 1.85 -2.50 2.61 -2.24 0.22 -5.01 114.28 106.40 3ag3 n THR 80 Ca 0.00 -2.35 -0.42 0.00 -2.27 0.00 0.00 64.05 59.00 3ag3 n THR 80 Cb 0.03 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.05 3ag3 n THR 80 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3ag3 s PHE 81 N -2.79 3.25 -1.07 4.78 5.36 -1.07 -4.90 117.98 121.53 3ag3 s PHE 81 Ca 0.32 1.28 0.27 0.00 -0.96 0.00 0.00 56.93 57.84 3ag3 s PHE 81 Cb 0.29 -3.38 0.86 0.00 -0.34 0.00 0.00 43.02 40.44 3ag3 s PHE 81 CO 0.01 -1.13 1.66 -0.35 -1.46 0.00 0.00 175.22 173.94 3ag3 n PRO 82 N 5.14 0.07 -2.19 10.12 -0.04 -1.26 -4.85 135.00 141.99 3ag3 n PRO 82 Ca 0.11 -0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.24 3ag3 n PRO 82 Cb 0.47 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 3ag3 n PRO 82 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ag3 s GLY 83 N -2.95 1.59 -0.23 0.55 0.00 -1.26 -5.04 107.32 99.99 3ag3 s GLY 83 Ca 0.14 -0.32 -0.21 0.00 0.00 0.00 0.00 44.72 44.33 3ag3 s GLY 83 CO 0.61 -0.07 0.67 1.25 0.00 0.00 0.00 173.10 175.55 3ag3 s LYS 84 N -5.03 4.16 0.00 2.90 2.20 -1.26 -5.17 119.74 117.54 3ag3 s LYS 84 Ca 0.53 0.65 0.01 0.00 -0.36 0.00 0.00 55.97 56.79 3ag3 s LYS 84 Cb -0.11 -3.62 0.01 0.00 -1.51 0.00 0.00 37.83 32.59 3ag3 s LYS 84 CO 0.50 -0.37 0.52 -0.89 -0.36 0.00 0.00 175.35 174.75