#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 s GLU 6 N 0.00 1.28 0.84 -0.41 -1.05 -1.26 -5.16 118.70 112.94 3ag3 s GLU 6 Ca 0.00 -1.00 -0.10 0.00 -0.15 0.00 0.00 54.97 53.72 3ag3 s GLU 6 Cb 0.00 0.46 0.10 0.00 -0.44 0.00 0.00 34.13 34.25 3ag3 s GLU 6 CO 0.00 -0.51 1.12 0.95 0.95 0.00 0.00 175.26 177.76 3ag3 s THR 7 N -3.91 2.72 0.17 1.83 -4.23 -1.26 -4.83 115.64 106.13 3ag3 s THR 7 Ca 0.12 0.23 -0.17 0.00 -1.18 0.00 0.00 61.69 60.70 3ag3 s THR 7 Cb 0.01 -2.50 0.11 0.00 1.34 0.00 0.00 72.50 71.45 3ag3 s THR 7 CO -0.02 -0.31 1.66 0.44 -0.54 0.00 0.00 174.62 175.86 3ag3 h ASP 8 N -1.49 -0.44 -0.67 3.99 3.32 -2.02 -1.11 116.42 118.00 3ag3 h ASP 8 Ca -0.43 0.13 0.06 0.00 0.02 0.00 0.00 57.03 56.80 3ag3 h ASP 8 Cb 1.25 0.28 -0.05 0.00 0.22 0.00 0.00 39.33 41.02 3ag3 h ASP 8 CO 0.47 -0.16 0.38 -0.33 -1.72 0.00 0.00 179.24 177.88 3ag3 h GLU 9 N -0.02 0.68 -0.45 3.56 3.07 -1.99 -0.48 114.58 118.95 3ag3 h GLU 9 Ca 0.20 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 3ag3 h GLU 9 Cb 0.33 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 3ag3 h GLU 9 CO -0.44 0.45 0.19 0.93 -1.40 0.00 0.00 179.01 178.74 3ag3 h GLU 10 N 0.70 0.66 0.21 2.33 5.08 -1.81 -1.16 114.58 120.58 3ag3 h GLU 10 Ca 0.30 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3ag3 h GLU 10 Cb 0.17 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3ag3 h GLU 10 CO -0.18 0.59 -0.10 0.35 -1.00 0.00 0.00 179.01 178.68 3ag3 h PHE 11 N 0.58 -0.26 -0.82 4.33 3.04 -0.59 -1.95 116.94 121.27 3ag3 h PHE 11 Ca 0.15 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.12 3ag3 h PHE 11 Cb 0.17 0.09 -0.05 0.00 2.56 0.00 0.00 35.95 38.72 3ag3 h PHE 11 CO -0.00 -0.12 0.53 -0.44 -2.02 0.00 0.00 178.31 176.26 3ag3 h ASP 12 N -0.33 0.88 -0.71 0.41 3.45 -0.98 -2.59 116.42 116.55 3ag3 h ASP 12 Ca -0.03 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.39 3ag3 h ASP 12 Cb 0.26 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 38.79 3ag3 h ASP 12 CO 0.05 0.62 0.32 0.00 -1.57 0.00 0.00 179.24 178.66 3ag3 h ALA 13 N 1.33 0.92 -0.60 3.45 0.00 -1.00 0.60 119.26 123.96 3ag3 h ALA 13 Ca 0.32 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3ag3 h ALA 13 Cb -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3ag3 h ALA 13 CO -0.10 0.50 0.35 -0.09 0.00 0.00 0.00 179.25 179.91 3ag3 h ARG 14 N 1.00 0.67 -0.10 0.00 1.12 -1.07 0.23 114.38 116.22 3ag3 h ARG 14 Ca 0.24 -0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 59.00 3ag3 h ARG 14 Cb 0.15 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 3ag3 h ARG 14 CO -0.03 0.44 -0.22 -1.49 -3.11 0.00 0.00 179.97 175.56 3ag3 h TRP 15 N 0.69 0.42 -0.77 2.20 4.06 -1.09 -0.94 115.95 120.51 3ag3 h TRP 15 Ca 0.25 -0.16 0.16 0.00 2.06 0.00 0.00 58.89 61.20 3ag3 h TRP 15 Cb 0.06 -0.08 -0.14 0.00 -1.00 0.00 0.00 29.16 28.00 3ag3 h TRP 15 CO -0.06 0.83 -0.14 0.28 -3.56 0.00 0.00 178.44 175.79 3ag3 h VAL 16 N -0.12 0.25 -0.65 1.49 2.07 -0.76 -1.71 116.25 116.83 3ag3 h VAL 16 Ca 0.00 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3ag3 h VAL 16 Cb 0.82 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3ag3 h VAL 16 CO 0.05 0.00 0.07 0.74 0.02 0.00 0.00 177.57 178.45 3ag3 h THR 17 N 0.02 1.26 -0.11 2.57 2.02 -0.43 -0.96 112.91 117.29 3ag3 h THR 17 Ca 0.39 -1.08 0.03 0.00 0.77 0.00 0.00 66.41 66.51 3ag3 h THR 17 Cb 0.62 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 3ag3 h THR 17 CO -0.77 0.40 -0.05 0.22 0.37 0.00 0.00 175.52 175.69 3ag3 h TYR 18 N 1.01 -0.11 0.00 3.16 3.20 -0.66 -2.39 116.97 121.18 3ag3 h TYR 18 Ca 0.19 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3ag3 h TYR 18 Cb 0.48 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.82 3ag3 h TYR 18 CO 0.03 -0.08 0.00 0.74 -1.64 0.00 0.00 178.16 177.22 3ag3 h PHE 19 N -0.04 0.00 -0.00 -3.82 -1.00 -1.01 -3.17 116.94 107.90 3ag3 h PHE 19 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 3ag3 h PHE 19 Cb 0.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.69 3ag3 h PHE 19 CO -0.17 0.00 -0.10 0.09 -1.61 0.00 0.00 178.31 176.52 3ag3 n ASN 20 N -2.78 0.15 -4.67 2.17 3.02 -0.39 -4.41 115.26 108.34 3ag3 n ASN 20 Ca 0.04 0.13 -0.53 0.00 -0.03 0.00 0.00 54.58 54.19 3ag3 n ASN 20 Cb 0.46 -0.28 -0.06 0.00 -0.61 0.00 0.00 39.78 39.29 3ag3 n ASN 20 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3ag3 n LYS 21 N -1.39 1.55 -0.11 3.52 4.81 -1.11 -4.88 118.16 120.55 3ag3 n LYS 21 Ca 0.09 0.56 -0.05 0.00 -0.87 0.00 0.00 58.31 58.03 3ag3 n LYS 21 Cb 0.32 -2.36 0.02 0.00 0.02 0.00 0.00 35.03 33.02 3ag3 n LYS 21 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3ag3 h PRO 22 N 8.68 0.07 -0.96 1.64 0.11 -1.94 -2.14 132.00 137.47 3ag3 h PRO 22 Ca -0.45 -0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.21 3ag3 h PRO 22 Cb 1.30 -0.02 -0.27 0.00 0.11 0.00 0.00 31.00 32.13 3ag3 h PRO 22 CO 0.97 0.05 0.57 -0.40 -0.21 0.00 0.00 178.00 178.97 3ag3 n ASP 23 N -5.21 3.89 -4.56 -2.05 3.85 -1.26 -4.98 116.55 106.24 3ag3 n ASP 23 Ca 0.02 -3.47 -0.47 0.00 -0.71 0.00 0.00 54.79 50.16 3ag3 n ASP 23 Cb 0.20 -0.81 -0.03 0.00 -1.35 0.00 0.00 41.12 39.13 3ag3 n ASP 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ag3 n ILE 24 N -0.91 1.51 -3.03 2.12 3.06 -0.81 -4.98 119.36 116.31 3ag3 n ILE 24 Ca 0.54 -0.38 -0.19 0.00 -2.50 0.00 0.00 62.75 60.22 3ag3 n ILE 24 Cb 1.58 -0.78 0.06 0.00 0.54 0.00 0.00 39.64 41.04 3ag3 n ILE 24 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 3ag3 s ASP 25 N -0.38 5.15 0.20 9.51 1.47 -1.26 -4.90 116.67 126.45 3ag3 s ASP 25 Ca 0.66 -0.82 -0.05 0.00 1.18 0.00 0.00 52.55 53.52 3ag3 s ASP 25 Cb -0.80 0.23 0.14 0.00 -0.34 0.00 0.00 42.92 42.14 3ag3 s ASP 25 CO 0.56 -1.30 1.59 0.00 0.68 0.00 0.00 175.17 176.70 3ag3 h ALA 26 N 0.21 0.80 -0.81 2.11 0.00 -1.98 -1.08 119.26 118.51 3ag3 h ALA 26 Ca -0.31 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.28 3ag3 h ALA 26 Cb 1.29 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 3ag3 h ALA 26 CO 0.41 0.65 0.47 2.35 0.00 0.00 0.00 179.25 183.13 3ag3 h TRP 27 N 0.66 0.86 -0.12 0.00 7.01 -2.00 -1.55 115.95 120.81 3ag3 h TRP 27 Ca 0.08 0.03 -0.15 0.00 2.11 0.00 0.00 58.89 60.96 3ag3 h TRP 27 Cb 0.83 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 3ag3 h TRP 27 CO 0.04 0.37 -0.57 0.93 -2.79 0.00 0.00 178.44 176.43 3ag3 h GLU 28 N 0.81 0.37 0.09 2.65 5.08 -1.77 0.94 114.58 122.75 3ag3 h GLU 28 Ca 0.38 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3ag3 h GLU 28 Cb 0.31 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3ag3 h GLU 28 CO -0.23 0.84 -0.04 1.25 -1.00 0.00 0.00 179.01 179.83 3ag3 h LEU 29 N 0.28 -0.10 -0.28 1.33 5.85 -0.81 -0.49 115.31 121.09 3ag3 h LEU 29 Ca 0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3ag3 h LEU 29 Cb 1.08 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3ag3 h LEU 29 CO 0.10 0.15 0.14 0.03 -0.34 0.00 0.00 178.44 178.51 3ag3 h ARG 30 N -0.35 0.39 -0.60 1.25 3.08 -1.11 -1.70 114.38 115.35 3ag3 h ARG 30 Ca -0.01 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.08 3ag3 h ARG 30 Cb 0.30 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 3ag3 h ARG 30 CO 0.02 0.36 0.20 -0.22 -1.07 0.00 0.00 179.97 179.26 3ag3 h LYS 31 N 0.32 0.35 0.19 0.04 1.63 -0.82 0.12 116.57 118.40 3ag3 h LYS 31 Ca 0.10 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 3ag3 h LYS 31 Cb 0.09 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 3ag3 h LYS 31 CO -0.01 0.23 -0.10 0.78 -3.45 0.00 0.00 179.45 176.91 3ag3 h GLY 32 N 0.36 -0.27 1.32 5.01 0.00 -0.89 -0.09 103.07 108.51 3ag3 h GLY 32 Ca 0.30 0.10 -0.17 0.00 0.00 0.00 0.00 47.33 47.57 3ag3 h GLY 32 CO -0.32 -0.10 -0.52 -0.33 0.00 0.00 0.00 176.54 175.27 3ag3 h MET 33 N -0.26 0.72 0.00 4.80 2.86 -0.95 0.86 114.93 122.96 3ag3 h MET 33 Ca -0.02 -0.44 -0.10 0.00 -2.06 0.00 0.00 59.70 57.08 3ag3 h MET 33 Cb 0.20 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3ag3 h MET 33 CO 0.04 1.06 -0.48 -0.91 1.06 0.00 0.00 176.91 177.68 3ag3 h ASN 34 N 0.56 0.00 -0.16 1.22 2.35 -0.68 -1.99 115.58 116.89 3ag3 h ASN 34 Ca 0.02 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 3ag3 h ASN 34 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 3ag3 h ASN 34 CO 0.11 0.48 -0.31 0.74 -1.65 0.00 0.00 177.43 176.79 3ag3 h THR 35 N 0.00 1.36 -0.45 2.81 2.02 -0.78 -3.35 112.91 114.51 3ag3 h THR 35 Ca -0.00 -1.56 -0.04 0.00 0.77 0.00 0.00 66.41 65.57 3ag3 h THR 35 Cb 0.85 1.97 -0.02 0.00 -1.74 0.00 0.00 68.15 69.21 3ag3 h THR 35 CO 0.06 0.47 0.12 0.25 0.37 0.00 0.00 175.52 176.79 3ag3 h LEU 36 N 0.11 0.62 -0.04 2.58 5.85 -0.55 -1.48 115.31 122.41 3ag3 h LEU 36 Ca 0.01 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3ag3 h LEU 36 Cb 0.90 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3ag3 h LEU 36 CO 0.07 0.62 -0.00 1.33 -0.34 0.00 0.00 178.44 180.11 3ag3 n VAL 37 N -4.31 0.00 0.25 1.05 0.24 -0.77 -2.45 118.33 112.34 3ag3 n VAL 37 Ca 0.03 -0.01 0.14 0.00 -2.04 0.00 0.00 64.34 62.47 3ag3 n VAL 37 Cb 0.20 -0.46 0.52 0.00 -1.47 0.00 0.00 33.84 32.63 3ag3 n VAL 37 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3ag3 h GLY 38 N 4.99 0.00 -2.06 7.63 0.00 -1.40 -3.46 103.07 108.77 3ag3 h GLY 38 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3ag3 h GLY 38 CO 0.00 0.00 0.26 -0.19 0.00 0.00 0.00 176.54 176.61 3ag3 s TYR 39 N -3.55 3.46 -1.33 5.60 2.02 -1.02 -4.97 117.35 117.55 3ag3 s TYR 39 Ca 0.02 1.29 -0.15 0.00 -0.37 0.00 0.00 57.07 57.86 3ag3 s TYR 39 Cb 0.08 -2.64 0.09 0.00 -0.40 0.00 0.00 41.96 39.09 3ag3 s TYR 39 CO 0.59 -0.25 1.85 -3.47 -1.57 0.00 0.00 175.55 172.70 3ag3 n ASP 40 N -1.44 4.69 -3.57 2.29 4.64 -1.26 -4.85 116.55 117.04 3ag3 n ASP 40 Ca 0.05 -2.93 -0.06 0.00 -1.38 0.00 0.00 54.79 50.47 3ag3 n ASP 40 Cb 0.54 -1.66 -0.02 0.00 -1.04 0.00 0.00 41.12 38.94 3ag3 n ASP 40 CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 3ag3 s LEU 41 N 2.68 -0.20 -0.22 -2.67 0.05 -1.26 -5.13 118.68 111.93 3ag3 s LEU 41 Ca 0.48 0.01 -0.12 0.00 0.05 0.00 0.00 54.13 54.56 3ag3 s LEU 41 Cb 0.07 1.56 -0.05 0.00 -2.05 0.00 0.00 46.19 45.72 3ag3 s LEU 41 CO 0.01 -0.33 0.22 -0.69 -0.55 0.00 0.00 176.35 175.00 3ag3 s VAL 42 N -2.55 5.33 0.43 1.48 1.01 -1.26 -4.97 120.40 119.87 3ag3 s VAL 42 Ca 0.08 0.32 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 3ag3 s VAL 42 Cb -0.01 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 3ag3 s VAL 42 CO -0.06 0.34 1.46 -2.65 0.00 0.00 0.00 175.10 174.19 3ag3 n PRO 43 N 4.19 2.40 -1.70 2.72 -0.02 -1.26 -4.95 135.00 136.38 3ag3 n PRO 43 Ca -0.13 0.85 -0.37 0.00 -2.02 0.00 0.00 63.50 61.82 3ag3 n PRO 43 Cb 0.52 -2.65 0.06 0.00 -0.02 0.00 0.00 33.50 31.41 3ag3 n PRO 43 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ag3 n GLU 44 N 0.00 1.14 -0.36 -0.52 -0.58 -1.26 -4.79 120.64 114.28 3ag3 n GLU 44 Ca 0.04 0.44 0.26 0.00 -0.42 0.00 0.00 57.16 57.48 3ag3 n GLU 44 Cb 0.41 -2.44 0.52 0.00 -0.57 0.00 0.00 31.44 29.36 3ag3 n GLU 44 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3ag3 h PRO 45 N 0.66 0.32 -0.47 3.49 0.11 -1.93 -0.90 132.00 133.28 3ag3 h PRO 45 Ca -0.50 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 3ag3 h PRO 45 Cb 1.34 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3ag3 h PRO 45 CO 0.53 0.21 -0.02 1.57 -0.21 0.00 0.00 178.00 180.08 3ag3 h LYS 46 N 0.33 0.79 -0.27 1.05 2.10 -1.98 0.46 116.57 119.04 3ag3 h LYS 46 Ca 0.68 -0.22 -0.07 0.00 -2.00 0.00 0.00 60.65 59.04 3ag3 h LYS 46 Cb 1.76 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.99 3ag3 h LYS 46 CO -0.41 0.81 -0.10 0.82 -2.00 0.00 0.00 179.45 178.56 3ag3 h ILE 47 N 0.73 1.29 -0.48 0.07 2.04 -1.51 -2.23 117.51 117.42 3ag3 h ILE 47 Ca 0.14 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 3ag3 h ILE 47 Cb 0.47 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3ag3 h ILE 47 CO 0.02 0.37 0.17 0.40 0.00 0.00 0.00 178.15 179.11 3ag3 h ILE 48 N 0.30 1.22 -0.31 -0.67 1.08 -0.86 -1.25 117.51 117.02 3ag3 h ILE 48 Ca 0.06 -0.70 0.07 0.00 -0.39 0.00 0.00 64.86 63.91 3ag3 h ILE 48 Cb 0.60 0.78 -0.08 0.00 -3.07 0.00 0.00 36.82 35.04 3ag3 h ILE 48 CO 0.03 0.26 -0.28 -0.78 -0.69 0.00 0.00 178.15 176.69 3ag3 h ASP 49 N 0.64 -0.93 -0.65 1.72 -0.00 -0.11 0.29 116.42 117.38 3ag3 h ASP 49 Ca 0.16 0.16 -0.03 0.00 -0.00 0.00 0.00 57.03 57.32 3ag3 h ASP 49 Cb 0.23 0.43 -0.03 0.00 -0.00 0.00 0.00 39.33 39.96 3ag3 h ASP 49 CO -0.01 -0.30 0.28 0.00 -0.00 0.00 0.00 179.24 179.21 3ag3 h ALA 50 N 0.76 1.23 -0.11 -0.78 0.00 -0.87 -1.22 119.26 118.27 3ag3 h ALA 50 Ca 0.15 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3ag3 h ALA 50 Cb 0.51 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ag3 h ALA 50 CO -0.46 0.57 -0.61 0.00 0.00 0.00 0.00 179.25 178.75 3ag3 h ALA 51 N 1.34 0.74 -0.19 0.00 0.00 -0.31 -1.73 119.26 119.11 3ag3 h ALA 51 Ca 0.23 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 3ag3 h ALA 51 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ag3 h ALA 51 CO -0.02 0.72 -0.34 -0.07 0.00 0.00 0.00 179.25 179.53 3ag3 h LEU 52 N 0.29 0.42 -0.87 0.00 3.38 0.03 -1.51 115.31 117.05 3ag3 h LEU 52 Ca -0.01 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 3ag3 h LEU 52 Cb 1.14 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 3ag3 h LEU 52 CO 0.10 0.74 -0.47 0.03 0.09 0.00 0.00 178.44 178.93 3ag3 h ARG 53 N 0.35 0.22 -0.72 1.13 3.08 -1.13 -1.21 114.38 116.10 3ag3 h ARG 53 Ca 0.04 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3ag3 h ARG 53 Cb 0.77 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 3ag3 h ARG 53 CO 0.06 0.65 0.34 0.00 -1.07 0.00 0.00 179.97 179.95 3ag3 h ALA 54 N 1.34 0.93 -0.39 0.04 0.00 -1.00 -0.48 119.26 119.70 3ag3 h ALA 54 Ca 0.01 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3ag3 h ALA 54 Cb 0.90 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 3ag3 h ALA 54 CO 0.07 0.50 0.18 0.00 0.00 0.00 0.00 179.25 180.01 3ag3 h ARG 56 N 0.38 0.33 0.00 0.00 9.65 -0.38 0.19 114.38 124.55 3ag3 h ARG 56 Ca 0.17 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.98 3ag3 h ARG 56 Cb 0.09 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 3ag3 h ARG 56 CO -0.13 0.22 -0.23 0.00 2.80 0.00 0.00 179.97 182.63 3ag3 h ARG 57 N 0.34 0.00 -0.52 0.20 3.08 -0.44 -0.14 114.38 116.90 3ag3 h ARG 57 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3ag3 h ARG 57 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3ag3 h ARG 57 CO -0.15 0.23 0.00 1.28 -1.07 0.00 0.00 179.97 180.26 3ag3 n LEU 58 N -3.72 2.77 -3.37 3.04 4.77 -0.19 -4.94 117.00 115.37 3ag3 n LEU 58 Ca -0.01 -1.39 -0.24 0.00 -0.03 0.00 0.00 56.01 54.33 3ag3 n LEU 58 Cb 0.34 -0.36 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3ag3 n LEU 58 CO 0.34 0.62 0.09 0.59 -1.33 0.00 0.00 177.39 177.69 3ag3 n ASN 59 N 0.83 -5.77 -3.80 -1.43 3.02 -0.07 -4.94 115.26 103.09 3ag3 n ASN 59 Ca 0.16 -0.45 -0.29 0.00 -0.03 0.00 0.00 54.58 53.97 3ag3 n ASN 59 Cb 0.47 -4.62 -0.13 0.00 -0.61 0.00 0.00 39.78 34.88 3ag3 n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ag3 s ASP 60 N -2.99 3.92 0.14 6.41 3.68 0.52 -4.93 116.67 123.43 3ag3 s ASP 60 Ca 0.46 -2.88 -0.12 0.00 2.13 0.00 0.00 52.55 52.14 3ag3 s ASP 60 Cb -0.21 -1.29 0.01 0.00 -1.45 0.00 0.00 42.92 39.98 3ag3 s ASP 60 CO 0.57 -0.24 1.58 0.15 0.13 0.00 0.00 175.17 177.36 3ag3 h PHE 61 N 6.51 0.94 -0.78 -5.34 3.57 -1.92 -3.16 116.94 116.76 3ag3 h PHE 61 Ca -0.02 -0.18 0.02 0.00 3.53 0.00 0.00 57.97 61.33 3ag3 h PHE 61 Cb 0.90 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 3ag3 h PHE 61 CO 0.50 0.91 0.51 0.00 -2.23 0.00 0.00 178.31 178.00 3ag3 h ALA 62 N 0.91 1.00 0.00 2.41 0.00 -1.98 -1.82 119.26 119.78 3ag3 h ALA 62 Ca 0.13 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3ag3 h ALA 62 Cb 0.55 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ag3 h ALA 62 CO 0.03 0.36 -0.45 0.77 0.00 0.00 0.00 179.25 179.96 3ag3 h SER 63 N 1.02 0.00 -0.49 0.00 0.02 -1.98 -1.63 113.55 110.49 3ag3 h SER 63 Ca 0.30 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.14 3ag3 h SER 63 Cb -0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3ag3 h SER 63 CO -0.08 0.45 -0.11 0.00 -1.14 0.00 0.00 176.83 175.95 3ag3 h ALA 64 N 1.55 0.68 -0.64 3.77 0.00 -1.31 -0.18 119.26 123.12 3ag3 h ALA 64 Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3ag3 h ALA 64 Cb 0.88 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3ag3 h ALA 64 CO 0.06 0.58 0.04 0.28 0.00 0.00 0.00 179.25 180.21 3ag3 h VAL 65 N 0.80 1.27 -0.09 0.00 2.07 -1.03 -2.57 116.25 116.70 3ag3 h VAL 65 Ca 0.13 -1.11 -0.09 0.00 0.82 0.00 0.00 66.70 66.44 3ag3 h VAL 65 Cb 0.67 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3ag3 h VAL 65 CO 0.05 0.41 -0.36 -0.09 0.02 0.00 0.00 177.57 177.60 3ag3 h ARG 66 N 1.01 0.18 -0.36 1.57 9.65 -0.73 -1.40 114.38 124.29 3ag3 h ARG 66 Ca 0.19 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 3ag3 h ARG 66 Cb 0.52 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.07 3ag3 h ARG 66 CO 0.02 0.52 0.17 0.82 2.80 0.00 0.00 179.97 184.30 3ag3 h ILE 67 N 0.15 1.17 -0.95 1.20 2.04 -0.86 0.63 117.51 120.89 3ag3 h ILE 67 Ca 0.02 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.46 3ag3 h ILE 67 Cb 0.71 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 3ag3 h ILE 67 CO 0.05 0.18 0.61 -0.07 0.00 0.00 0.00 178.15 178.92 3ag3 h LEU 68 N 0.45 0.99 -1.17 1.44 3.38 -1.00 -2.18 115.31 117.21 3ag3 h LEU 68 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3ag3 h LEU 68 Cb 0.12 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3ag3 h LEU 68 CO -0.02 0.65 0.28 -0.33 0.09 0.00 0.00 178.44 179.11 3ag3 h GLU 69 N 1.13 0.86 0.00 1.13 5.08 -0.42 -2.74 114.58 119.63 3ag3 h GLU 69 Ca 0.40 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.51 3ag3 h GLU 69 Cb 0.10 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3ag3 h GLU 69 CO -0.15 0.68 -0.64 -0.24 -1.00 0.00 0.00 179.01 177.65 3ag3 h VAL 70 N 0.86 1.40 -0.29 3.13 3.04 -0.31 -0.05 116.25 124.03 3ag3 h VAL 70 Ca 0.21 -2.24 -0.01 0.00 -1.01 0.00 0.00 66.70 63.65 3ag3 h VAL 70 Cb 0.11 2.23 -0.01 0.00 -2.01 0.00 0.00 31.29 31.60 3ag3 h VAL 70 CO -0.03 0.63 0.15 0.58 -1.01 0.00 0.00 177.57 177.90 3ag3 h VAL 71 N 0.00 1.14 -0.53 1.51 2.07 -1.22 0.28 116.25 119.49 3ag3 h VAL 71 Ca -0.01 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.16 3ag3 h VAL 71 Cb 1.18 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3ag3 h VAL 71 CO 0.08 0.14 0.34 0.50 0.02 0.00 0.00 177.57 178.65 3ag3 h LYS 72 N 0.35 0.66 -0.55 1.57 3.64 -1.17 -2.69 116.57 118.37 3ag3 h LYS 72 Ca 0.10 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 3ag3 h LYS 72 Cb 0.08 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3ag3 h LYS 72 CO -0.02 0.44 -0.02 0.22 -2.27 0.00 0.00 179.45 177.80 3ag3 h ASP 73 N 0.68 0.94 0.32 4.20 3.58 -0.27 -2.43 116.42 123.43 3ag3 h ASP 73 Ca 0.20 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 3ag3 h ASP 73 Cb -0.03 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.77 3ag3 h ASP 73 CO -0.07 1.01 -0.01 0.11 -2.88 0.00 0.00 179.24 177.40 3ag3 h LYS 74 N 0.88 0.00 0.00 0.28 1.79 -0.16 -1.52 116.57 117.84 3ag3 h LYS 74 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 3ag3 h LYS 74 Cb 0.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 3ag3 h LYS 74 CO 0.03 0.01 0.00 0.00 -1.08 0.00 0.00 179.45 178.41 3ag3 h ALA 75 N 1.99 1.00 -0.77 3.86 0.00 -1.23 -3.45 119.26 120.66 3ag3 h ALA 75 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ag3 h ALA 75 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ag3 h ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3ag3 n GLY 76 N 1.11 3.62 0.22 0.00 0.00 -0.58 -1.47 105.19 108.10 3ag3 n GLY 76 Ca 0.05 0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.28 3ag3 n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ag3 n PRO 77 N 14.00 1.10 -2.56 1.61 -0.04 -1.26 -4.50 135.00 143.35 3ag3 n PRO 77 Ca 0.00 -0.44 -0.42 0.00 -0.04 0.00 0.00 63.50 62.59 3ag3 n PRO 77 Cb 0.00 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 31.96 3ag3 n PRO 77 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3ag3 s HIS 78 N -2.21 2.71 -0.90 0.54 3.76 -0.54 -4.83 115.29 113.81 3ag3 s HIS 78 Ca 0.36 -1.42 0.10 0.00 -0.15 0.00 0.00 55.06 53.95 3ag3 s HIS 78 Cb 0.21 -4.72 0.43 0.00 1.11 0.00 0.00 32.58 29.61 3ag3 s HIS 78 CO 0.41 -1.81 1.30 1.63 -0.85 0.00 0.00 174.74 175.42 3ag3 n LYS 79 N 8.48 0.03 0.02 1.40 5.02 -1.26 -2.12 118.16 129.72 3ag3 n LYS 79 Ca 0.46 0.40 0.13 0.00 -2.02 0.00 0.00 58.31 57.28 3ag3 n LYS 79 Cb 0.47 -1.56 0.42 0.00 -0.02 0.00 0.00 35.03 34.34 3ag3 n LYS 79 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3ag3 n GLU 80 N -1.61 0.05 0.01 1.97 0.00 -1.26 -4.23 120.64 115.57 3ag3 n GLU 80 Ca 0.02 0.03 -0.19 0.00 0.00 0.00 0.00 57.16 57.02 3ag3 n GLU 80 Cb 0.09 -1.55 -0.14 0.00 0.00 0.00 0.00 31.44 29.85 3ag3 n GLU 80 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3ag3 h ILE 81 N 0.00 1.54 -0.08 3.84 2.04 -1.82 -3.11 117.51 119.92 3ag3 h ILE 81 Ca 0.00 -2.47 -0.00 0.00 1.00 0.00 0.00 64.86 63.39 3ag3 h ILE 81 Cb 0.55 3.19 -0.00 0.00 -0.74 0.00 0.00 36.82 39.81 3ag3 h ILE 81 CO 0.00 0.68 0.04 0.22 0.00 0.00 0.00 178.15 179.09 3ag3 h TYR 82 N -0.56 0.11 -0.55 1.37 5.03 -1.76 0.20 116.97 120.80 3ag3 h TYR 82 Ca -0.12 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.25 3ag3 h TYR 82 Cb 1.47 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 39.68 3ag3 h TYR 82 CO 0.21 0.14 0.37 -1.35 -1.32 0.00 0.00 178.16 176.21 3ag3 h PRO 83 N 0.05 0.48 -0.31 1.82 0.11 -1.77 0.41 132.00 132.78 3ag3 h PRO 83 Ca 0.03 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 3ag3 h PRO 83 Cb 0.07 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3ag3 h PRO 83 CO -0.00 0.32 0.14 -0.92 -0.21 0.00 0.00 178.00 177.33 3ag3 h TYR 84 N 0.49 0.46 -0.59 0.65 3.20 -1.26 0.57 116.97 120.50 3ag3 h TYR 84 Ca 0.24 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 3ag3 h TYR 84 Cb 0.32 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3ag3 h TYR 84 CO -0.00 0.42 0.00 0.28 -1.64 0.00 0.00 178.16 177.22 3ag3 h VAL 85 N 0.37 1.27 -0.66 1.81 2.07 0.06 -0.90 116.25 120.27 3ag3 h VAL 85 Ca 0.11 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.41 3ag3 h VAL 85 Cb 0.14 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3ag3 h VAL 85 CO -0.01 0.41 0.12 0.40 0.02 0.00 0.00 177.57 178.51 3ag3 h ILE 86 N 0.93 1.26 -0.23 4.57 1.08 -0.75 -1.10 117.51 123.27 3ag3 h ILE 86 Ca 0.17 -1.01 0.06 0.00 -0.39 0.00 0.00 64.86 63.68 3ag3 h ILE 86 Cb 0.55 0.64 -0.07 0.00 -3.07 0.00 0.00 36.82 34.87 3ag3 h ILE 86 CO 0.03 0.38 -0.37 -0.61 -0.69 0.00 0.00 178.15 176.89 3ag3 h GLN 87 N 1.01 -0.38 -0.80 2.37 4.15 -0.54 -1.29 115.11 119.63 3ag3 h GLN 87 Ca 0.20 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.74 3ag3 h GLN 87 Cb 0.42 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.14 3ag3 h GLN 87 CO 0.01 -0.25 0.52 0.93 -1.93 0.00 0.00 178.83 178.11 3ag3 h GLU 88 N -0.39 0.74 -0.00 1.69 4.39 -0.79 -2.76 114.58 117.46 3ag3 h GLU 88 Ca 0.11 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3ag3 h GLU 88 Cb 0.58 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3ag3 h GLU 88 CO -0.44 0.49 -0.09 1.28 -1.16 0.00 0.00 179.01 179.09 3ag3 n LEU 89 N -4.50 0.39 -0.35 1.33 4.77 -0.45 -4.50 117.00 113.69 3ag3 n LEU 89 Ca 0.13 0.05 0.05 0.00 -0.03 0.00 0.00 56.01 56.21 3ag3 n LEU 89 Cb 0.30 -0.19 0.20 0.00 -2.33 0.00 0.00 43.42 41.40 3ag3 n LEU 89 CO 0.32 0.07 1.23 -0.09 -1.33 0.00 0.00 177.39 177.60 3ag3 h ARG 90 N 0.47 1.00 -0.54 3.23 9.65 -0.97 0.28 114.38 127.50 3ag3 h ARG 90 Ca 0.00 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 3ag3 h ARG 90 Cb 0.34 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 28.67 3ag3 h ARG 90 CO 0.00 0.66 0.32 -1.35 2.80 0.00 0.00 179.97 182.40 3ag3 h PRO 91 N 1.03 0.74 -0.29 0.20 0.11 -1.82 0.98 132.00 132.95 3ag3 h PRO 91 Ca 0.46 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3ag3 h PRO 91 Cb 0.35 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3ag3 h PRO 91 CO -0.23 0.55 0.19 1.15 -0.21 0.00 0.00 178.00 179.45 3ag3 h THR 92 N 0.73 1.08 -0.67 -1.15 2.02 -1.28 -0.33 112.91 113.30 3ag3 h THR 92 Ca 0.19 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.26 3ag3 h THR 92 Cb 0.01 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 3ag3 h THR 92 CO -0.03 0.07 0.41 -0.07 0.37 0.00 0.00 175.52 176.27 3ag3 h LEU 93 N 0.38 0.67 -0.12 2.58 3.38 0.01 0.94 115.31 123.15 3ag3 h LEU 93 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3ag3 h LEU 93 Cb -0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3ag3 h LEU 93 CO -0.02 0.46 0.04 0.78 0.09 0.00 0.00 178.44 179.79 3ag3 h ASN 94 N 0.81 0.18 -0.43 -0.43 -0.26 -0.71 0.13 115.58 114.86 3ag3 h ASN 94 Ca 0.27 -0.21 -0.02 0.00 -0.56 0.00 0.00 56.30 55.78 3ag3 h ASN 94 Cb 0.04 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 3ag3 h ASN 94 CO -0.11 0.34 0.18 -0.08 -1.06 0.00 0.00 177.43 176.70 3ag3 h GLU 95 N 0.01 0.63 -0.01 0.81 4.81 -0.61 -2.88 114.58 117.33 3ag3 h GLU 95 Ca 0.04 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3ag3 h GLU 95 Cb 0.23 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3ag3 h GLU 95 CO -0.00 0.57 -0.20 1.28 -0.73 0.00 0.00 179.01 179.93 3ag3 n LEU 96 N -4.64 1.10 -2.00 1.64 4.77 0.29 -4.93 117.00 113.23 3ag3 n LEU 96 Ca 0.00 -0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 55.55 3ag3 n LEU 96 Cb 0.14 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3ag3 n LEU 96 CO 0.37 0.20 0.02 0.61 -1.33 0.00 0.00 177.39 177.26 3ag3 n GLY 97 N 1.30 -0.05 3.64 -0.72 0.00 0.30 -4.99 105.19 104.68 3ag3 n GLY 97 Ca 0.14 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 3ag3 n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ag3 s ILE 98 N -2.96 4.93 0.21 -0.61 1.01 -0.29 -5.04 121.20 118.45 3ag3 s ILE 98 Ca 0.21 1.36 -0.14 0.00 0.00 0.00 0.00 60.65 62.07 3ag3 s ILE 98 Cb -0.09 -4.02 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 3ag3 s ILE 98 CO 0.26 0.01 0.62 -0.44 0.00 0.00 0.00 174.94 175.39 3ag3 s SER 99 N 1.34 6.82 0.67 3.58 0.01 -1.26 -4.70 113.70 120.15 3ag3 s SER 99 Ca 0.31 1.15 -0.11 0.00 1.31 0.00 0.00 55.95 58.61 3ag3 s SER 99 Cb -0.16 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 63.75 3ag3 s SER 99 CO 0.09 -0.01 1.05 0.42 0.41 0.00 0.00 173.24 175.20 3ag3 s THR 100 N -1.65 4.15 0.38 1.44 -4.23 -1.26 -4.78 115.64 109.69 3ag3 s THR 100 Ca 0.44 0.73 0.12 0.00 -1.18 0.00 0.00 61.69 61.80 3ag3 s THR 100 Cb -0.14 -3.49 0.34 0.00 1.34 0.00 0.00 72.50 70.55 3ag3 s THR 100 CO 0.20 -0.88 1.87 -0.65 -0.54 0.00 0.00 174.62 174.62 3ag3 h PRO 101 N -0.52 0.56 -0.49 3.99 0.11 -1.96 -2.08 132.00 131.62 3ag3 h PRO 101 Ca -0.44 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3ag3 h PRO 101 Cb 1.21 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3ag3 h PRO 101 CO 0.58 0.37 -0.05 0.93 -0.21 0.00 0.00 178.00 179.62 3ag3 h GLU 102 N 0.58 0.90 0.00 1.05 3.07 -1.92 0.27 114.58 118.52 3ag3 h GLU 102 Ca 0.44 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 3ag3 h GLU 102 Cb 0.84 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.68 3ag3 h GLU 102 CO -0.19 0.95 -0.05 0.93 -1.40 0.00 0.00 179.01 179.26 3ag3 h GLU 103 N 0.75 0.00 -0.02 2.33 5.08 -1.76 -2.01 114.58 118.95 3ag3 h GLU 103 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3ag3 h GLU 103 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3ag3 h GLU 103 CO 0.03 0.05 -0.24 1.28 -1.00 0.00 0.00 179.01 179.13 3ag3 n LEU 104 N -3.31 2.34 -0.00 1.33 4.77 -0.96 -4.95 117.00 116.23 3ag3 n LEU 104 Ca -0.01 -0.87 -0.00 0.00 -0.03 0.00 0.00 56.01 55.10 3ag3 n LEU 104 Cb 0.21 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3ag3 n LEU 104 CO 0.26 0.42 -0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3ag3 n GLY 105 N 1.30 0.46 0.44 -0.72 0.00 -0.65 -4.90 105.19 101.12 3ag3 n GLY 105 Ca 0.11 -0.34 0.14 0.00 0.00 0.00 0.00 46.02 45.93 3ag3 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ag3 n LEU 106 N -0.00 1.36 -0.27 0.99 4.77 0.86 -2.64 117.00 122.07 3ag3 n LEU 106 Ca -0.00 -0.46 0.14 0.00 -0.03 0.00 0.00 56.01 55.66 3ag3 n LEU 106 Cb 0.00 -0.00 0.58 0.00 -2.33 0.00 0.00 43.42 41.67 3ag3 n LEU 106 CO 0.00 0.23 0.86 -0.90 -1.33 0.00 0.00 177.39 176.25 3ag3 n ASP 107 N 0.07 0.92 -4.88 -1.43 3.85 -1.22 -4.88 116.55 108.98 3ag3 n ASP 107 Ca 0.19 -1.06 -0.36 0.00 -0.71 0.00 0.00 54.79 52.85 3ag3 n ASP 107 Cb 0.33 0.01 -0.06 0.00 -1.35 0.00 0.00 41.12 40.05 3ag3 n ASP 107 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3ag3 s LYS 108 N -2.23 3.52 0.00 0.11 -2.85 -1.08 -5.10 119.74 112.11 3ag3 s LYS 108 Ca 0.34 -0.08 0.29 0.00 -1.00 0.00 0.00 55.97 55.51 3ag3 s LYS 108 Cb 0.21 -3.16 1.21 0.00 -2.06 0.00 0.00 37.83 34.02 3ag3 s LYS 108 CO 0.41 0.73 1.83 1.33 0.10 0.00 0.00 175.35 179.76