#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 s GLU 6 N 0.00 0.94 0.78 -0.41 -1.05 -1.26 -5.16 118.70 112.54 3ag1 s GLU 6 Ca 0.00 -1.26 -0.12 0.00 -0.15 0.00 0.00 54.97 53.44 3ag1 s GLU 6 Cb 0.00 -0.63 0.06 0.00 -0.44 0.00 0.00 34.13 33.12 3ag1 s GLU 6 CO 0.00 0.10 1.11 0.95 0.95 0.00 0.00 175.26 178.37 3ag1 s THR 7 N -2.65 2.94 0.18 1.83 -4.23 -1.26 -4.85 115.64 107.60 3ag1 s THR 7 Ca 0.09 0.31 -0.17 0.00 -1.18 0.00 0.00 61.69 60.74 3ag1 s THR 7 Cb -0.02 -3.18 0.12 0.00 1.34 0.00 0.00 72.50 70.76 3ag1 s THR 7 CO 0.01 -0.40 1.65 0.44 -0.54 0.00 0.00 174.62 175.78 3ag1 h ASP 8 N -0.97 -0.52 -0.16 3.99 3.32 -2.01 -1.86 116.42 118.21 3ag1 h ASP 8 Ca -0.46 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.69 3ag1 h ASP 8 Cb 1.28 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 41.13 3ag1 h ASP 8 CO 0.62 -0.18 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.62 3ag1 h GLU 9 N -0.05 0.42 -0.29 3.56 3.07 -1.99 -1.77 114.58 117.53 3ag1 h GLU 9 Ca 0.21 -0.08 -0.14 0.00 -0.50 0.00 0.00 59.36 58.85 3ag1 h GLU 9 Cb 0.37 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3ag1 h GLU 9 CO -0.48 0.46 -0.37 0.93 -1.40 0.00 0.00 179.01 178.15 3ag1 h GLU 10 N 0.40 0.76 0.02 2.33 5.08 -1.82 -1.94 114.58 119.42 3ag1 h GLU 10 Ca 0.09 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3ag1 h GLU 10 Cb 0.29 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3ag1 h GLU 10 CO 0.01 1.06 -0.01 0.35 -1.00 0.00 0.00 179.01 179.42 3ag1 h PHE 11 N 0.51 -0.03 -0.60 4.33 3.04 -0.93 -1.31 116.94 121.96 3ag1 h PHE 11 Ca 0.03 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.07 3ag1 h PHE 11 Cb 0.96 0.01 -0.07 0.00 2.56 0.00 0.00 35.95 39.42 3ag1 h PHE 11 CO 0.07 0.18 0.25 -0.44 -2.02 0.00 0.00 178.31 176.35 3ag1 h ASP 12 N -0.24 0.29 -0.67 0.41 3.45 -1.37 -2.39 116.42 115.90 3ag1 h ASP 12 Ca -0.00 0.06 -0.00 0.00 0.43 0.00 0.00 57.03 57.52 3ag1 h ASP 12 Cb 0.22 0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 38.99 3ag1 h ASP 12 CO 0.01 0.18 0.40 0.00 -1.57 0.00 0.00 179.24 178.25 3ag1 h ALA 13 N 1.38 0.85 -0.61 3.45 0.00 -1.22 0.36 119.26 123.47 3ag1 h ALA 13 Ca 0.29 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3ag1 h ALA 13 Cb 0.32 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3ag1 h ALA 13 CO -0.27 0.33 0.40 -0.09 0.00 0.00 0.00 179.25 179.63 3ag1 h ARG 14 N 0.91 0.73 0.15 0.00 2.43 -0.82 -0.29 114.38 117.49 3ag1 h ARG 14 Ca 0.24 -0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 59.11 3ag1 h ARG 14 Cb -0.02 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3ag1 h ARG 14 CO -0.04 0.48 -1.23 -1.49 -1.51 0.00 0.00 179.97 176.18 3ag1 h TRP 15 N 0.75 0.57 -0.61 2.20 4.06 -0.94 -1.65 115.95 120.32 3ag1 h TRP 15 Ca 0.24 -0.41 0.12 0.00 2.06 0.00 0.00 58.89 60.90 3ag1 h TRP 15 Cb 0.03 -0.02 -0.12 0.00 -1.00 0.00 0.00 29.16 28.05 3ag1 h TRP 15 CO -0.00 1.47 -0.14 0.28 -3.56 0.00 0.00 178.44 176.50 3ag1 h VAL 16 N -0.25 0.40 -0.53 1.49 2.07 -0.77 -1.28 116.25 117.38 3ag1 h VAL 16 Ca -0.24 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3ag1 h VAL 16 Cb 1.79 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3ag1 h VAL 16 CO 0.13 0.00 0.26 0.74 0.02 0.00 0.00 177.57 178.72 3ag1 h THR 17 N 0.01 1.17 -0.28 2.57 2.02 -1.04 -0.54 112.91 116.82 3ag1 h THR 17 Ca 0.30 -0.47 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 3ag1 h THR 17 Cb 0.46 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3ag1 h THR 17 CO -0.62 0.20 0.04 0.22 0.37 0.00 0.00 175.52 175.72 3ag1 h TYR 18 N 0.73 0.51 0.00 3.16 3.20 -0.25 -2.84 116.97 121.49 3ag1 h TYR 18 Ca 0.19 -0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 3ag1 h TYR 18 Cb 0.06 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3ag1 h TYR 18 CO 0.01 0.59 -0.50 0.74 -1.64 0.00 0.00 178.16 177.35 3ag1 h PHE 19 N 0.29 0.00 0.00 -3.82 -1.00 -1.09 -3.10 116.94 108.22 3ag1 h PHE 19 Ca 0.09 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.87 3ag1 h PHE 19 Cb 0.36 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.92 3ag1 h PHE 19 CO 0.03 0.50 0.00 0.09 -1.61 0.00 0.00 178.31 177.32 3ag1 n ASN 20 N -3.28 0.18 -4.69 2.17 3.02 -0.24 -4.53 115.26 107.89 3ag1 n ASN 20 Ca 0.02 0.54 -0.52 0.00 -0.03 0.00 0.00 54.58 54.59 3ag1 n ASN 20 Cb 0.71 -0.58 -0.06 0.00 -0.61 0.00 0.00 39.78 39.24 3ag1 n ASN 20 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3ag1 n LYS 21 N -1.70 1.69 -0.22 3.52 4.81 -1.09 -4.83 118.16 120.35 3ag1 n LYS 21 Ca 0.03 0.62 -0.07 0.00 -0.87 0.00 0.00 58.31 58.02 3ag1 n LYS 21 Cb 0.19 -2.38 0.03 0.00 0.02 0.00 0.00 35.03 32.89 3ag1 n LYS 21 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3ag1 h PRO 22 N 7.78 0.92 -0.97 1.64 0.11 -1.93 -2.68 132.00 136.86 3ag1 h PRO 22 Ca -0.47 -0.17 -0.47 0.00 0.11 0.00 0.00 66.00 65.00 3ag1 h PRO 22 Cb 1.29 -0.15 -0.28 0.00 0.11 0.00 0.00 31.00 31.98 3ag1 h PRO 22 CO 0.93 0.78 0.59 -0.40 -0.21 0.00 0.00 178.00 179.70 3ag1 n ASP 23 N -4.45 3.84 -4.62 -2.05 3.85 -1.26 -4.99 116.55 106.87 3ag1 n ASP 23 Ca 0.04 -3.50 -0.49 0.00 -0.71 0.00 0.00 54.79 50.13 3ag1 n ASP 23 Cb 0.17 -0.82 -0.05 0.00 -1.35 0.00 0.00 41.12 39.08 3ag1 n ASP 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ag1 n ILE 24 N -0.98 0.19 -2.85 2.12 3.06 -1.01 -5.00 119.36 114.90 3ag1 n ILE 24 Ca 0.56 -0.05 -0.21 0.00 -2.50 0.00 0.00 62.75 60.54 3ag1 n ILE 24 Cb 1.60 -1.12 0.09 0.00 0.54 0.00 0.00 39.64 40.74 3ag1 n ILE 24 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 3ag1 s ASP 25 N 0.55 4.73 0.21 9.51 1.47 -1.26 -4.95 116.67 126.93 3ag1 s ASP 25 Ca 0.80 -0.67 -0.07 0.00 1.18 0.00 0.00 52.55 53.79 3ag1 s ASP 25 Cb -0.82 0.22 0.15 0.00 -0.34 0.00 0.00 42.92 42.13 3ag1 s ASP 25 CO 0.45 -1.60 1.69 0.00 0.68 0.00 0.00 175.17 176.39 3ag1 h ALA 26 N -0.15 0.94 0.02 2.11 0.00 -1.98 -1.71 119.26 118.48 3ag1 h ALA 26 Ca -0.32 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.33 3ag1 h ALA 26 Cb 1.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3ag1 h ALA 26 CO 0.40 0.65 -0.13 2.35 0.00 0.00 0.00 179.25 182.52 3ag1 h TRP 27 N 0.96 -0.33 -0.18 0.00 7.01 -2.00 -0.90 115.95 120.52 3ag1 h TRP 27 Ca 0.18 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.11 3ag1 h TRP 27 Cb 0.48 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.67 3ag1 h TRP 27 CO 0.03 -0.19 -0.27 0.93 -2.79 0.00 0.00 178.44 176.15 3ag1 h GLU 28 N -0.22 0.33 0.38 2.65 5.08 -1.91 0.46 114.58 121.35 3ag1 h GLU 28 Ca 0.04 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3ag1 h GLU 28 Cb 0.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3ag1 h GLU 28 CO -0.11 0.59 -0.20 1.25 -1.00 0.00 0.00 179.01 179.53 3ag1 h LEU 29 N 0.30 -0.48 -0.12 1.33 5.85 -0.95 -1.96 115.31 119.29 3ag1 h LEU 29 Ca 0.04 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3ag1 h LEU 29 Cb 0.64 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3ag1 h LEU 29 CO 0.05 -0.33 -0.15 0.03 -0.34 0.00 0.00 178.44 177.70 3ag1 h ARG 30 N -0.53 -0.18 -0.74 1.25 3.08 -0.89 -2.55 114.38 113.81 3ag1 h ARG 30 Ca -0.05 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.10 3ag1 h ARG 30 Cb 0.42 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.44 3ag1 h ARG 30 CO 0.07 -0.12 0.40 -0.22 -1.07 0.00 0.00 179.97 179.03 3ag1 h LYS 31 N -0.19 0.65 0.06 0.04 1.63 -0.95 0.58 116.57 118.40 3ag1 h LYS 31 Ca 0.09 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3ag1 h LYS 31 Cb 0.32 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 3ag1 h LYS 31 CO -0.23 0.43 -0.03 0.78 -3.45 0.00 0.00 179.45 176.96 3ag1 h GLY 32 N 0.67 -0.08 1.03 5.01 0.00 -1.23 -1.79 103.07 106.69 3ag1 h GLY 32 Ca 0.36 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 3ag1 h GLY 32 CO -0.25 -0.03 0.47 -0.33 0.00 0.00 0.00 176.54 176.40 3ag1 h MET 33 N -0.48 1.23 0.00 4.80 2.86 -1.32 -0.18 114.93 121.85 3ag1 h MET 33 Ca -0.01 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.43 3ag1 h MET 33 Cb 0.43 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3ag1 h MET 33 CO 0.01 0.91 -0.24 -0.91 1.06 0.00 0.00 176.91 177.75 3ag1 h ASN 34 N 1.23 0.00 0.18 1.22 2.35 -0.86 -2.66 115.58 117.04 3ag1 h ASN 34 Ca 0.31 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.77 3ag1 h ASN 34 Cb 0.05 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.44 3ag1 h ASN 34 CO -0.05 0.24 -1.32 0.74 -1.65 0.00 0.00 177.43 175.39 3ag1 h THR 35 N 0.00 1.23 -0.89 2.81 2.02 -0.98 -3.34 112.91 113.76 3ag1 h THR 35 Ca -0.00 -2.55 0.03 0.00 0.77 0.00 0.00 66.41 64.66 3ag1 h THR 35 Cb 0.83 2.97 -0.05 0.00 -1.74 0.00 0.00 68.15 70.15 3ag1 h THR 35 CO 0.03 0.77 0.58 0.25 0.37 0.00 0.00 175.52 177.52 3ag1 h LEU 36 N -0.11 0.96 0.00 2.58 5.85 -0.86 -1.80 115.31 121.93 3ag1 h LEU 36 Ca -0.25 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3ag1 h LEU 36 Cb 1.91 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.72 3ag1 h LEU 36 CO 0.17 0.67 0.00 1.33 -0.34 0.00 0.00 178.44 180.27 3ag1 n VAL 37 N -4.44 0.00 0.47 1.05 0.24 -1.02 -2.58 118.33 112.06 3ag1 n VAL 37 Ca 0.12 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.55 3ag1 n VAL 37 Cb 0.10 -0.54 0.46 0.00 -1.47 0.00 0.00 33.84 32.39 3ag1 n VAL 37 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3ag1 h GLY 38 N 4.65 0.00 -2.41 7.63 0.00 -1.46 -3.47 103.07 108.00 3ag1 h GLY 38 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3ag1 h GLY 38 CO 0.00 0.00 -0.09 -0.19 0.00 0.00 0.00 176.54 176.26 3ag1 s TYR 39 N -3.26 3.47 -1.33 5.60 2.02 -1.06 -4.98 117.35 117.81 3ag1 s TYR 39 Ca 0.07 0.46 -0.13 0.00 -0.37 0.00 0.00 57.07 57.09 3ag1 s TYR 39 Cb 0.10 -2.09 0.11 0.00 -0.40 0.00 0.00 41.96 39.68 3ag1 s TYR 39 CO 0.50 -0.08 1.88 -3.47 -1.57 0.00 0.00 175.55 172.81 3ag1 n ASP 40 N -1.98 4.71 -3.57 2.29 4.64 -1.26 -4.84 116.55 116.54 3ag1 n ASP 40 Ca -0.02 -2.97 -0.08 0.00 -1.38 0.00 0.00 54.79 50.34 3ag1 n ASP 40 Cb 0.56 -1.60 -0.04 0.00 -1.04 0.00 0.00 41.12 39.00 3ag1 n ASP 40 CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 3ag1 s LEU 41 N 1.73 -0.29 -0.20 -2.67 0.05 -1.26 -5.11 118.68 110.92 3ag1 s LEU 41 Ca 0.45 0.21 -0.18 0.00 0.05 0.00 0.00 54.13 54.66 3ag1 s LEU 41 Cb 0.08 1.72 -0.03 0.00 -2.05 0.00 0.00 46.19 45.91 3ag1 s LEU 41 CO -0.01 -0.35 0.48 -0.69 -0.55 0.00 0.00 176.35 175.24 3ag1 s VAL 42 N -1.73 5.13 0.45 1.48 1.01 -1.26 -4.97 120.40 120.51 3ag1 s VAL 42 Ca 0.03 0.89 -0.25 0.00 0.00 0.00 0.00 61.98 62.64 3ag1 s VAL 42 Cb -0.01 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 3ag1 s VAL 42 CO -0.03 0.20 1.39 -2.84 0.00 0.00 0.00 175.10 173.82 3ag1 s PRO 43 N 1.54 3.68 0.19 2.72 0.02 -1.26 -4.93 135.00 136.96 3ag1 s PRO 43 Ca 0.23 2.34 -0.32 0.00 0.02 0.00 0.00 61.00 63.27 3ag1 s PRO 43 Cb -0.15 -2.63 -0.15 0.00 0.02 0.00 0.00 34.50 31.59 3ag1 s PRO 43 CO 0.09 -0.80 1.18 0.39 -0.33 0.00 0.00 177.00 177.53 3ag1 n GLU 44 N -0.23 1.28 -0.40 5.54 -0.58 -1.26 -4.82 120.64 120.17 3ag1 n GLU 44 Ca 0.05 0.46 0.34 0.00 -0.42 0.00 0.00 57.16 57.59 3ag1 n GLU 44 Cb 0.43 -1.96 0.61 0.00 -0.57 0.00 0.00 31.44 29.94 3ag1 n GLU 44 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3ag1 h PRO 45 N 3.34 0.11 0.00 3.49 0.11 -1.93 0.36 132.00 137.48 3ag1 h PRO 45 Ca -0.43 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 3ag1 h PRO 45 Cb 1.33 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 3ag1 h PRO 45 CO 0.70 0.07 -0.25 1.57 -0.21 0.00 0.00 178.00 179.87 3ag1 h LYS 46 N 0.11 0.00 -0.17 1.05 2.10 -1.97 0.16 116.57 117.85 3ag1 h LYS 46 Ca 0.81 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 59.31 3ag1 h LYS 46 Cb 2.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.69 3ag1 h LYS 46 CO -0.52 0.25 -0.47 0.82 -2.00 0.00 0.00 179.45 177.54 3ag1 h ILE 47 N 0.00 1.33 -0.30 0.07 2.04 -0.63 -2.64 117.51 117.38 3ag1 h ILE 47 Ca -0.00 -1.72 -0.03 0.00 1.00 0.00 0.00 64.86 64.10 3ag1 h ILE 47 Cb 0.65 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 3ag1 h ILE 47 CO 0.03 0.53 0.07 0.40 0.00 0.00 0.00 178.15 179.18 3ag1 h ILE 48 N 0.28 1.22 -0.53 -0.67 1.08 -0.79 -0.66 117.51 117.44 3ag1 h ILE 48 Ca -0.01 -0.74 0.11 0.00 -0.39 0.00 0.00 64.86 63.83 3ag1 h ILE 48 Cb 1.09 1.14 -0.10 0.00 -3.07 0.00 0.00 36.82 35.88 3ag1 h ILE 48 CO 0.10 0.24 -0.09 -0.78 -0.69 0.00 0.00 178.15 176.93 3ag1 h ASP 49 N 0.31 -0.41 -0.79 1.72 1.82 -0.79 0.20 116.42 118.48 3ag1 h ASP 49 Ca 0.09 0.15 -0.05 0.00 -0.39 0.00 0.00 57.03 56.84 3ag1 h ASP 49 Cb 0.30 0.30 -0.03 0.00 0.68 0.00 0.00 39.33 40.58 3ag1 h ASP 49 CO 0.00 -0.15 0.31 0.00 -1.61 0.00 0.00 179.24 177.79 3ag1 h ALA 50 N 1.52 1.02 -0.37 -0.78 0.00 -1.04 -2.24 119.26 117.38 3ag1 h ALA 50 Ca 0.26 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3ag1 h ALA 50 Cb 0.41 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ag1 h ALA 50 CO -0.52 0.65 -0.23 0.00 0.00 0.00 0.00 179.25 179.15 3ag1 h ALA 51 N 1.16 0.91 -0.04 0.00 0.00 0.50 -1.67 119.26 120.11 3ag1 h ALA 51 Ca 0.26 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3ag1 h ALA 51 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ag1 h ALA 51 CO -0.02 0.62 -0.25 -0.07 0.00 0.00 0.00 179.25 179.53 3ag1 h LEU 52 N 0.63 0.07 -0.20 0.00 3.38 -0.51 -2.05 115.31 116.64 3ag1 h LEU 52 Ca 0.09 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 3ag1 h LEU 52 Cb 0.73 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3ag1 h LEU 52 CO 0.06 0.32 -0.93 0.03 0.09 0.00 0.00 178.44 178.01 3ag1 h ARG 53 N 0.07 0.33 -0.86 1.13 3.08 -0.78 -2.04 114.38 115.30 3ag1 h ARG 53 Ca 0.01 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 3ag1 h ARG 53 Cb 0.48 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 3ag1 h ARG 53 CO 0.03 1.06 0.47 0.00 -1.07 0.00 0.00 179.97 180.46 3ag1 h ALA 54 N 0.81 1.21 -0.72 0.04 0.00 -1.02 -0.35 119.26 119.24 3ag1 h ALA 54 Ca -0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3ag1 h ALA 54 Cb 1.57 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3ag1 h ALA 54 CO 0.15 0.64 0.34 0.00 0.00 0.00 0.00 179.25 180.38 3ag1 h ARG 56 N 1.00 0.55 -0.15 0.00 9.65 -0.64 0.37 114.38 125.17 3ag1 h ARG 56 Ca 0.25 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.14 3ag1 h ARG 56 Cb 0.13 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 3ag1 h ARG 56 CO -0.03 0.36 0.13 0.00 2.80 0.00 0.00 179.97 183.24 3ag1 h ARG 57 N 0.57 0.00 -0.11 0.20 3.08 -0.72 -1.40 114.38 116.00 3ag1 h ARG 57 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3ag1 h ARG 57 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3ag1 h ARG 57 CO -0.10 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.08 3ag1 n LEU 58 N -4.14 3.10 -3.55 3.04 4.77 -0.70 -4.97 117.00 114.56 3ag1 n LEU 58 Ca 0.01 -1.11 -0.22 0.00 -0.03 0.00 0.00 56.01 54.66 3ag1 n LEU 58 Cb 0.26 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.37 3ag1 n LEU 58 CO 0.31 0.55 0.19 0.59 -1.33 0.00 0.00 177.39 177.71 3ag1 n ASN 59 N 1.38 -4.73 -3.87 -1.43 3.02 -0.03 -4.96 115.26 104.63 3ag1 n ASN 59 Ca 0.15 -0.58 -0.30 0.00 -0.03 0.00 0.00 54.58 53.82 3ag1 n ASN 59 Cb 0.60 -5.04 -0.14 0.00 -0.61 0.00 0.00 39.78 34.59 3ag1 n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ag1 s ASP 60 N -3.71 4.13 0.10 6.41 3.68 -0.31 -4.96 116.67 122.00 3ag1 s ASP 60 Ca 0.37 -2.76 -0.20 0.00 2.13 0.00 0.00 52.55 52.09 3ag1 s ASP 60 Cb -0.16 -1.41 -0.09 0.00 -1.45 0.00 0.00 42.92 39.81 3ag1 s ASP 60 CO 0.73 -0.26 1.66 0.15 0.13 0.00 0.00 175.17 177.58 3ag1 h PHE 61 N 6.73 0.28 -0.67 -5.34 3.57 -1.93 -3.27 116.94 116.32 3ag1 h PHE 61 Ca -0.06 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.53 3ag1 h PHE 61 Cb 0.92 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.50 3ag1 h PHE 61 CO 0.50 0.30 0.28 0.00 -2.23 0.00 0.00 178.31 177.16 3ag1 h ALA 62 N 0.95 0.90 -0.09 2.41 0.00 -1.98 -1.37 119.26 120.08 3ag1 h ALA 62 Ca 0.07 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3ag1 h ALA 62 Cb 0.13 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ag1 h ALA 62 CO -0.01 -0.14 -0.15 0.77 0.00 0.00 0.00 179.25 179.72 3ag1 h SER 63 N 0.48 0.13 -0.56 0.00 0.02 -1.99 -2.06 113.55 109.58 3ag1 h SER 63 Ca 0.34 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 3ag1 h SER 63 Cb 0.42 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 3ag1 h SER 63 CO -0.31 0.30 0.22 0.00 -1.14 0.00 0.00 176.83 175.90 3ag1 h ALA 64 N 1.72 0.72 -0.53 3.77 0.00 -1.30 -1.04 119.26 122.61 3ag1 h ALA 64 Ca 0.03 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3ag1 h ALA 64 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3ag1 h ALA 64 CO 0.02 0.34 -0.04 0.28 0.00 0.00 0.00 179.25 179.85 3ag1 h VAL 65 N 0.76 1.26 -0.79 0.00 2.07 -1.17 -2.72 116.25 115.66 3ag1 h VAL 65 Ca 0.19 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 3ag1 h VAL 65 Cb 0.20 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3ag1 h VAL 65 CO -0.02 0.40 0.36 -0.09 0.02 0.00 0.00 177.57 178.25 3ag1 h ARG 66 N 0.84 1.15 -0.67 1.57 9.65 -1.19 -1.30 114.38 124.43 3ag1 h ARG 66 Ca 0.15 -0.18 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3ag1 h ARG 66 Cb 0.55 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 3ag1 h ARG 66 CO 0.03 0.90 0.41 0.82 2.80 0.00 0.00 179.97 184.93 3ag1 h ILE 67 N 1.12 1.19 -0.74 1.20 2.04 -0.90 -1.36 117.51 120.06 3ag1 h ILE 67 Ca 0.27 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3ag1 h ILE 67 Cb 0.14 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 3ag1 h ILE 67 CO -0.03 0.20 0.39 -0.07 0.00 0.00 0.00 178.15 178.64 3ag1 h LEU 68 N 0.91 0.93 -0.95 1.44 3.38 -1.04 -2.19 115.31 117.79 3ag1 h LEU 68 Ca 0.24 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3ag1 h LEU 68 Cb -0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3ag1 h LEU 68 CO -0.05 0.76 -0.13 -0.33 0.09 0.00 0.00 178.44 178.78 3ag1 h GLU 69 N 1.04 0.62 -0.27 1.13 5.08 -0.60 -2.61 114.58 118.97 3ag1 h GLU 69 Ca 0.26 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 3ag1 h GLU 69 Cb 0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3ag1 h GLU 69 CO -0.04 0.73 -0.35 -0.24 -1.00 0.00 0.00 179.01 178.11 3ag1 h VAL 70 N 0.57 1.29 -0.55 3.13 3.04 -1.03 0.10 116.25 122.80 3ag1 h VAL 70 Ca 0.10 -1.49 -0.02 0.00 -1.01 0.00 0.00 66.70 64.29 3ag1 h VAL 70 Cb 0.55 1.47 -0.03 0.00 -2.01 0.00 0.00 31.29 31.28 3ag1 h VAL 70 CO 0.03 0.47 0.28 0.58 -1.01 0.00 0.00 177.57 177.92 3ag1 h VAL 71 N 0.49 1.20 -0.35 1.51 2.07 -1.22 0.04 116.25 119.99 3ag1 h VAL 71 Ca 0.05 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 3ag1 h VAL 71 Cb 0.84 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3ag1 h VAL 71 CO 0.07 0.22 -0.10 0.50 0.02 0.00 0.00 177.57 178.28 3ag1 h LYS 72 N 0.74 0.68 -0.58 1.57 3.64 -1.04 -3.08 116.57 118.49 3ag1 h LYS 72 Ca 0.19 -0.27 0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3ag1 h LYS 72 Cb 0.09 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 3ag1 h LYS 72 CO -0.03 0.85 0.32 0.22 -2.27 0.00 0.00 179.45 178.55 3ag1 h ASP 73 N 0.46 0.47 0.01 4.20 3.58 -0.61 -2.15 116.42 122.39 3ag1 h ASP 73 Ca 0.08 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 3ag1 h ASP 73 Cb 0.61 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.60 3ag1 h ASP 73 CO 0.04 0.32 -0.00 0.11 -2.88 0.00 0.00 179.24 176.82 3ag1 h LYS 74 N 0.61 0.00 0.00 0.28 1.79 -0.91 -2.23 116.57 116.11 3ag1 h LYS 74 Ca 0.26 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.68 3ag1 h LYS 74 Cb 0.14 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 3ag1 h LYS 74 CO -0.16 0.00 -0.27 0.00 -1.08 0.00 0.00 179.45 177.95 3ag1 h ALA 75 N 2.00 0.84 -0.98 3.86 0.00 -1.37 -3.44 119.26 120.17 3ag1 h ALA 75 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ag1 h ALA 75 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ag1 h ALA 75 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.94 3ag1 n GLY 76 N 1.16 3.80 0.04 0.00 0.00 -0.84 -1.25 105.19 108.09 3ag1 n GLY 76 Ca 0.03 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3ag1 n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ag1 n PRO 77 N 14.00 0.66 -2.56 1.61 -0.04 -1.26 -4.56 135.00 142.85 3ag1 n PRO 77 Ca 0.00 -0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 62.96 3ag1 n PRO 77 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 3ag1 n PRO 77 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3ag1 s HIS 78 N -2.39 2.70 0.41 0.54 3.76 -0.38 -4.82 115.29 115.11 3ag1 s HIS 78 Ca 0.34 -1.40 0.35 0.00 -0.15 0.00 0.00 55.06 54.19 3ag1 s HIS 78 Cb 0.21 -4.72 1.88 0.00 1.11 0.00 0.00 32.58 31.06 3ag1 s HIS 78 CO 0.44 -1.81 2.05 0.87 -0.85 0.00 0.00 174.74 175.44 3ag1 h LYS 79 N 8.07 0.00 0.00 1.40 1.57 -1.85 -2.05 116.57 123.71 3ag1 h LYS 79 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3ag1 h LYS 79 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3ag1 h LYS 79 CO 1.45 0.00 -0.43 -0.85 -0.57 0.00 0.00 179.45 179.04 3ag1 n GLU 80 N -2.77 0.27 -0.11 3.15 0.00 -1.26 -4.04 120.64 115.88 3ag1 n GLU 80 Ca -0.02 0.12 -0.13 0.00 0.00 0.00 0.00 57.16 57.13 3ag1 n GLU 80 Cb 0.13 -1.71 -0.03 0.00 0.00 0.00 0.00 31.44 29.83 3ag1 n GLU 80 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3ag1 h ILE 81 N 0.00 1.28 -0.06 3.84 2.04 -1.75 -3.19 117.51 119.67 3ag1 h ILE 81 Ca 0.00 -1.48 -0.04 0.00 1.00 0.00 0.00 64.86 64.33 3ag1 h ILE 81 Cb 0.73 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3ag1 h ILE 81 CO 0.00 0.49 -0.13 0.22 0.00 0.00 0.00 178.15 178.73 3ag1 h TYR 82 N 0.62 0.24 -0.50 1.37 5.03 -1.78 -1.45 116.97 120.51 3ag1 h TYR 82 Ca 0.06 -0.09 0.08 0.00 2.58 0.00 0.00 58.73 61.36 3ag1 h TYR 82 Cb 0.90 -0.04 -0.03 0.00 1.55 0.00 0.00 36.73 39.10 3ag1 h TYR 82 CO 0.07 0.73 0.34 -1.35 -1.32 0.00 0.00 178.16 176.62 3ag1 h PRO 83 N -0.31 0.32 -0.39 1.82 0.11 -1.77 -0.59 132.00 131.20 3ag1 h PRO 83 Ca 0.00 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 3ag1 h PRO 83 Cb 0.72 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3ag1 h PRO 83 CO 0.03 0.21 -0.18 -0.92 -0.21 0.00 0.00 178.00 176.93 3ag1 h TYR 84 N 0.33 0.93 -0.61 0.65 3.20 -1.44 -1.69 116.97 118.34 3ag1 h TYR 84 Ca 0.22 -0.23 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 3ag1 h TYR 84 Cb 0.45 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 3ag1 h TYR 84 CO -0.00 0.98 0.21 0.28 -1.64 0.00 0.00 178.16 178.00 3ag1 h VAL 85 N 0.61 1.24 -0.69 1.81 2.07 -0.20 -1.39 116.25 119.70 3ag1 h VAL 85 Ca 0.09 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 3ag1 h VAL 85 Cb 0.73 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3ag1 h VAL 85 CO 0.06 0.30 0.28 0.40 0.02 0.00 0.00 177.57 178.63 3ag1 h ILE 86 N 0.86 1.24 -0.08 4.57 1.08 -1.03 -1.19 117.51 122.97 3ag1 h ILE 86 Ca 0.20 -0.75 0.03 0.00 -0.39 0.00 0.00 64.86 63.95 3ag1 h ILE 86 Cb 0.25 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 3ag1 h ILE 86 CO -0.01 0.30 -0.12 -0.61 -0.69 0.00 0.00 178.15 177.02 3ag1 h GLN 87 N 0.98 -0.15 0.00 2.37 4.15 -1.12 -0.65 115.11 120.69 3ag1 h GLN 87 Ca 0.23 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 3ag1 h GLN 87 Cb 0.20 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 3ag1 h GLN 87 CO -0.02 -0.10 -0.12 0.93 -1.93 0.00 0.00 178.83 177.59 3ag1 h GLU 88 N -0.16 0.00 -0.01 1.69 4.39 -0.88 -2.89 114.58 116.72 3ag1 h GLU 88 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3ag1 h GLU 88 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3ag1 h GLU 88 CO -0.18 0.12 -0.65 1.28 -1.16 0.00 0.00 179.01 178.42 3ag1 n LEU 89 N -3.52 1.16 -0.27 1.33 4.77 -0.48 -4.60 117.00 115.39 3ag1 n LEU 89 Ca -0.01 -0.42 0.05 0.00 -0.03 0.00 0.00 56.01 55.59 3ag1 n LEU 89 Cb 0.26 -0.07 0.19 0.00 -2.33 0.00 0.00 43.42 41.47 3ag1 n LEU 89 CO 0.30 0.25 1.06 -0.09 -1.33 0.00 0.00 177.39 177.57 3ag1 h ARG 90 N 0.80 0.52 -0.38 3.23 9.65 -0.93 -0.50 114.38 126.77 3ag1 h ARG 90 Ca 0.00 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 58.88 3ag1 h ARG 90 Cb 0.57 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.99 3ag1 h ARG 90 CO 0.00 0.35 0.16 -1.35 2.80 0.00 0.00 179.97 181.93 3ag1 h PRO 91 N 0.54 0.33 -0.93 0.20 0.10 -1.82 0.04 132.00 130.46 3ag1 h PRO 91 Ca 0.42 -0.02 0.02 0.00 0.10 0.00 0.00 66.00 66.51 3ag1 h PRO 91 Cb 0.58 -0.07 -0.05 0.00 0.10 0.00 0.00 31.00 31.56 3ag1 h PRO 91 CO -0.36 0.22 0.61 1.15 0.10 0.00 0.00 178.00 179.72 3ag1 h THR 92 N 0.34 1.21 -0.15 -1.15 2.02 -1.54 0.18 112.91 113.83 3ag1 h THR 92 Ca 0.17 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3ag1 h THR 92 Cb 0.11 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.39 3ag1 h THR 92 CO -0.14 0.22 0.06 -0.07 0.37 0.00 0.00 175.52 175.96 3ag1 h LEU 93 N 1.23 0.21 -0.04 2.58 3.38 -0.69 -1.51 115.31 120.46 3ag1 h LEU 93 Ca 0.35 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3ag1 h LEU 93 Cb -0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3ag1 h LEU 93 CO -0.09 0.32 -0.01 0.78 0.09 0.00 0.00 178.44 179.54 3ag1 h ASN 94 N 0.07 -0.04 -0.78 -0.43 -0.26 -0.86 0.22 115.58 113.50 3ag1 h ASN 94 Ca 0.05 0.01 0.07 0.00 -0.56 0.00 0.00 56.30 55.87 3ag1 h ASN 94 Cb 0.19 0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 37.41 3ag1 h ASN 94 CO -0.00 -0.02 0.46 -0.08 -1.06 0.00 0.00 177.43 176.73 3ag1 h GLU 95 N -0.00 0.79 -0.21 0.81 4.81 -0.88 -2.80 114.58 117.09 3ag1 h GLU 95 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3ag1 h GLU 95 Cb 0.03 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3ag1 h GLU 95 CO -0.04 0.52 0.00 1.28 -0.73 0.00 0.00 179.01 180.04 3ag1 n LEU 96 N -4.72 3.16 -0.84 1.64 4.77 -0.58 -4.94 117.00 115.49 3ag1 n LEU 96 Ca 0.11 -1.22 -0.09 0.00 -0.03 0.00 0.00 56.01 54.78 3ag1 n LEU 96 Cb 0.20 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3ag1 n LEU 96 CO 0.29 0.61 -0.10 0.61 -1.33 0.00 0.00 177.39 177.47 3ag1 n GLY 97 N 1.42 0.68 3.67 -0.72 0.00 -0.09 -4.98 105.19 105.17 3ag1 n GLY 97 Ca 0.17 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 3ag1 n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ag1 s ILE 98 N -2.39 4.68 0.32 -0.61 1.01 -0.28 -5.03 121.20 118.90 3ag1 s ILE 98 Ca 0.00 2.00 -0.10 0.00 0.00 0.00 0.00 60.65 62.55 3ag1 s ILE 98 Cb 0.00 -4.29 -0.07 0.00 0.01 0.00 0.00 42.46 38.11 3ag1 s ILE 98 CO 0.00 -0.12 0.66 -0.44 0.00 0.00 0.00 174.94 175.04 3ag1 s SER 99 N 1.21 6.57 0.45 3.58 0.01 -1.26 -4.71 113.70 119.56 3ag1 s SER 99 Ca 0.46 1.01 -0.03 0.00 1.31 0.00 0.00 55.95 58.70 3ag1 s SER 99 Cb -0.16 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 3ag1 s SER 99 CO 0.10 -0.24 0.72 0.42 0.41 0.00 0.00 173.24 174.66 3ag1 s THR 100 N -2.10 4.68 0.46 1.44 -4.23 -1.26 -4.79 115.64 109.84 3ag1 s THR 100 Ca 0.49 -0.10 0.13 0.00 -1.18 0.00 0.00 61.69 61.03 3ag1 s THR 100 Cb -0.11 -3.76 0.30 0.00 1.34 0.00 0.00 72.50 70.28 3ag1 s THR 100 CO 0.26 -0.65 2.05 -0.65 -0.54 0.00 0.00 174.62 175.08 3ag1 h PRO 101 N 0.34 0.31 -0.39 3.99 0.11 -1.95 -1.69 132.00 132.72 3ag1 h PRO 101 Ca -0.47 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 3ag1 h PRO 101 Cb 1.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3ag1 h PRO 101 CO 0.61 0.21 -0.28 0.93 -0.21 0.00 0.00 178.00 179.26 3ag1 h GLU 102 N 0.32 0.87 -0.02 1.05 3.07 -1.93 0.15 114.58 118.10 3ag1 h GLU 102 Ca 0.17 -0.42 -0.01 0.00 -0.50 0.00 0.00 59.36 58.60 3ag1 h GLU 102 Cb 0.26 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3ag1 h GLU 102 CO -0.04 1.06 -0.03 0.93 -1.40 0.00 0.00 179.01 179.54 3ag1 h GLU 103 N 0.68 0.02 -0.01 2.33 5.08 -1.71 -2.03 114.58 118.95 3ag1 h GLU 103 Ca 0.08 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3ag1 h GLU 103 Cb 0.85 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3ag1 h GLU 103 CO 0.07 0.05 -0.16 1.28 -1.00 0.00 0.00 179.01 179.25 3ag1 n LEU 104 N -4.49 0.92 -0.04 1.33 4.77 -0.76 -4.94 117.00 113.79 3ag1 n LEU 104 Ca -0.03 -0.22 -0.00 0.00 -0.03 0.00 0.00 56.01 55.73 3ag1 n LEU 104 Cb 0.12 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3ag1 n LEU 104 CO 0.35 0.17 -0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3ag1 n GLY 105 N 1.29 0.43 0.23 -0.72 0.00 -0.76 -4.91 105.19 100.74 3ag1 n GLY 105 Ca 0.14 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.21 3ag1 n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ag1 n LEU 106 N -0.06 0.71 -0.67 0.99 4.77 0.47 -3.41 117.00 119.80 3ag1 n LEU 106 Ca -0.00 -0.24 0.13 0.00 -0.03 0.00 0.00 56.01 55.86 3ag1 n LEU 106 Cb 0.11 -0.01 0.37 0.00 -2.33 0.00 0.00 43.42 41.56 3ag1 n LEU 106 CO 0.01 0.12 0.78 -0.90 -1.33 0.00 0.00 177.39 176.07 3ag1 n ASP 107 N -0.43 2.07 -4.34 -1.43 3.85 -1.23 -4.84 116.55 110.19 3ag1 n ASP 107 Ca 0.21 -1.70 -0.33 0.00 -0.71 0.00 0.00 54.79 52.27 3ag1 n ASP 107 Cb 0.22 -0.02 -0.15 0.00 -1.35 0.00 0.00 41.12 39.82 3ag1 n ASP 107 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3ag1 s LYS 108 N -1.95 3.32 0.00 0.11 -2.85 -1.22 -5.09 119.74 112.05 3ag1 s LYS 108 Ca 0.34 -0.72 0.32 0.00 -1.00 0.00 0.00 55.97 54.91 3ag1 s LYS 108 Cb 0.20 -2.57 1.91 0.00 -2.06 0.00 0.00 37.83 35.32 3ag1 s LYS 108 CO 0.32 0.21 2.23 1.33 0.10 0.00 0.00 175.35 179.53