#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 s SER 2 N 0.00 -0.27 0.00 0.00 1.04 -1.26 -5.20 113.70 108.01 3ag3 s SER 2 Ca 0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.94 3ag3 s SER 2 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3ag3 s SER 2 CO 0.00 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.73 3ag3 n GLY 3 N -0.37 -2.45 0.00 7.32 0.00 -1.26 -5.22 105.19 103.22 3ag3 n GLY 3 Ca -0.09 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3ag3 n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 4 N -0.72 3.98 0.00 -0.02 0.00 -1.26 -4.99 105.19 102.17 3ag3 n GLY 4 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3ag3 n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag3 n GLY 5 N 3.53 0.25 3.70 -0.02 0.00 -1.26 -5.06 105.19 106.33 3ag3 n GLY 5 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3ag3 n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ag3 s VAL 6 N -2.00 5.36 0.77 1.61 1.01 -1.26 -5.09 120.40 120.80 3ag3 s VAL 6 Ca 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 61.98 62.10 3ag3 s VAL 6 Cb 0.00 -3.52 0.06 0.00 0.00 0.00 0.00 36.38 32.92 3ag3 s VAL 6 CO 0.00 0.38 1.19 -2.16 0.00 0.00 0.00 175.10 174.51 3ag3 s PRO 7 N 0.74 1.94 0.33 2.72 0.04 -1.26 -5.05 135.00 134.47 3ag3 s PRO 7 Ca 0.09 1.67 0.07 0.00 0.04 0.00 0.00 61.00 62.88 3ag3 s PRO 7 Cb -0.13 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 3ag3 s PRO 7 CO 0.02 -1.97 0.29 0.95 0.04 0.00 0.00 177.00 176.34 3ag3 s THR 8 N -2.18 3.55 0.40 1.26 -4.23 -1.26 -4.99 115.64 108.18 3ag3 s THR 8 Ca 0.72 -1.37 0.09 0.00 -1.18 0.00 0.00 61.69 59.95 3ag3 s THR 8 Cb -0.27 -3.19 0.19 0.00 1.34 0.00 0.00 72.50 70.57 3ag3 s THR 8 CO 0.48 -0.18 1.96 0.44 -0.54 0.00 0.00 174.62 176.79 3ag3 h ASP 9 N 1.25 0.29 -0.99 3.99 3.32 -1.96 -1.57 116.42 120.75 3ag3 h ASP 9 Ca -0.45 -0.04 0.10 0.00 0.02 0.00 0.00 57.03 56.66 3ag3 h ASP 9 Cb 1.25 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 40.65 3ag3 h ASP 9 CO 0.58 0.36 0.63 -0.08 -1.72 0.00 0.00 179.24 179.02 3ag3 h GLU 10 N 0.31 0.99 0.02 3.56 4.57 -1.95 0.80 114.58 122.89 3ag3 h GLU 10 Ca 0.07 -0.06 -0.24 0.00 -1.18 0.00 0.00 59.36 57.95 3ag3 h GLU 10 Cb 0.24 -0.22 0.01 0.00 -0.16 0.00 0.00 28.75 28.61 3ag3 h GLU 10 CO 0.01 0.66 -1.00 0.93 -1.18 0.00 0.00 179.01 178.42 3ag3 h GLU 11 N 1.02 0.47 0.00 1.92 5.08 -1.77 -3.41 114.58 117.89 3ag3 h GLU 11 Ca 0.47 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3ag3 h GLU 11 Cb 0.40 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3ag3 h GLU 11 CO -0.23 1.17 -0.08 0.94 -1.00 0.00 0.00 179.01 179.82 3ag3 n GLN 12 N -3.76 3.22 -1.74 2.33 7.27 -0.66 -4.97 117.38 119.07 3ag3 n GLN 12 Ca -0.08 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.60 3ag3 n GLN 12 Cb 0.87 -0.31 0.04 0.00 2.41 0.00 0.00 30.24 33.24 3ag3 n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ag3 n ALA 13 N -0.50 1.54 -2.53 1.69 0.00 0.23 -5.01 120.51 115.93 3ag3 n ALA 13 Ca 0.00 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.42 3ag3 n ALA 13 Cb 0.00 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.03 3ag3 n ALA 13 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3ag3 s THR 14 N -1.29 0.00 0.00 0.00 -1.32 -1.26 -4.71 115.64 107.07 3ag3 s THR 14 Ca 0.71 -1.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.36 3ag3 s THR 14 Cb -0.42 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.05 3ag3 s THR 14 CO 0.50 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.52 3ag3 n GLY 15 N -0.51 1.78 0.23 6.08 0.00 -1.26 -1.77 105.19 109.75 3ag3 n GLY 15 Ca 0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 3ag3 n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ag3 h LEU 16 N 0.00 0.32 -0.60 0.99 5.85 -1.99 -1.73 115.31 118.16 3ag3 h LEU 16 Ca 0.00 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3ag3 h LEU 16 Cb 0.00 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3ag3 h LEU 16 CO 0.00 0.54 0.32 -0.08 -0.34 0.00 0.00 178.44 178.88 3ag3 h GLU 17 N 0.30 0.59 -0.19 1.25 4.81 -1.91 0.91 114.58 120.35 3ag3 h GLU 17 Ca 0.05 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 3ag3 h GLU 17 Cb 0.53 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3ag3 h GLU 17 CO 0.04 0.39 -0.52 -0.09 -0.73 0.00 0.00 179.01 178.09 3ag3 h ARG 18 N 0.61 0.54 -0.37 1.92 2.43 -0.99 -1.26 114.38 117.25 3ag3 h ARG 18 Ca 0.26 -0.33 0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3ag3 h ARG 18 Cb 0.15 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 3ag3 h ARG 18 CO -0.17 0.93 0.05 0.93 -1.51 0.00 0.00 179.97 180.21 3ag3 h GLU 19 N 0.42 0.17 -0.89 0.20 5.08 -0.84 0.66 114.58 119.38 3ag3 h GLU 19 Ca 0.01 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3ag3 h GLU 19 Cb 1.06 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 3ag3 h GLU 19 CO 0.10 0.11 0.50 0.28 -1.00 0.00 0.00 179.01 179.00 3ag3 h VAL 20 N 0.17 1.25 -0.51 3.13 2.07 -0.64 -0.92 116.25 120.80 3ag3 h VAL 20 Ca 0.18 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 3ag3 h VAL 20 Cb 0.22 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 3ag3 h VAL 20 CO -0.25 0.28 0.17 -0.03 0.02 0.00 0.00 177.57 177.76 3ag3 h MET 21 N 1.23 0.79 -0.09 1.57 -1.53 -0.65 -1.29 114.93 114.97 3ag3 h MET 21 Ca 0.31 -0.16 -0.21 0.00 -3.44 0.00 0.00 59.70 56.20 3ag3 h MET 21 Cb 0.01 -0.12 0.00 0.00 -0.55 0.00 0.00 31.60 30.94 3ag3 h MET 21 CO -0.05 0.73 -0.79 -0.07 0.14 0.00 0.00 176.91 176.86 3ag3 h LEU 22 N 0.70 0.69 -0.79 3.39 3.38 -0.69 -2.36 115.31 119.62 3ag3 h LEU 22 Ca 0.17 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 3ag3 h LEU 22 Cb 0.26 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3ag3 h LEU 22 CO -0.01 1.24 0.11 0.00 0.09 0.00 0.00 178.44 179.88 3ag3 h ALA 23 N 0.74 1.00 -0.42 1.53 0.00 -1.06 -2.71 119.26 118.35 3ag3 h ALA 23 Ca -0.05 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 3ag3 h ALA 23 Cb 1.40 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3ag3 h ALA 23 CO 0.15 0.64 -0.10 0.00 0.00 0.00 0.00 179.25 179.93 3ag3 h ALA 24 N 1.15 1.04 0.00 0.00 0.00 -0.95 -0.65 119.26 119.84 3ag3 h ALA 24 Ca 0.20 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ag3 h ALA 24 Cb 0.40 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ag3 h ALA 24 CO 0.01 0.58 -0.14 -0.09 0.00 0.00 0.00 179.25 179.61 3ag3 h ARG 25 N 0.67 0.00 -0.01 0.00 2.43 -1.10 -2.25 114.38 114.12 3ag3 h ARG 25 Ca 0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3ag3 h ARG 25 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3ag3 h ARG 25 CO 0.04 0.14 -0.08 1.63 -1.51 0.00 0.00 179.97 180.19 3ag3 n LYS 26 N -3.67 1.36 -2.13 0.20 5.02 -0.76 -4.94 118.16 113.25 3ag3 n LYS 26 Ca -0.02 -0.76 -0.09 0.00 -2.02 0.00 0.00 58.31 55.42 3ag3 n LYS 26 Cb 0.26 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.78 3ag3 n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ag3 n GLY 27 N 1.22 0.05 3.80 0.72 0.00 -0.84 -5.03 105.19 105.10 3ag3 n GLY 27 Ca 0.17 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 3ag3 n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ag3 s GLN 28 N -4.37 2.78 -0.40 1.61 -0.21 -0.33 -5.02 119.66 113.72 3ag3 s GLN 28 Ca 0.00 -1.17 0.11 0.00 0.02 0.00 0.00 55.36 54.32 3ag3 s GLN 28 Cb 0.00 -2.47 0.35 0.00 1.00 0.00 0.00 33.01 31.89 3ag3 s GLN 28 CO 0.00 0.33 0.78 -3.47 -2.12 0.00 0.00 175.29 170.81 3ag3 n ASP 29 N -1.17 1.52 0.27 5.90 2.03 -1.26 -3.90 116.55 119.94 3ag3 n ASP 29 Ca -0.06 -3.12 0.13 0.00 0.52 0.00 0.00 54.79 52.26 3ag3 n ASP 29 Cb 0.58 -0.60 0.75 0.00 -0.72 0.00 0.00 41.12 41.13 3ag3 n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3ag3 h PRO 30 N 2.99 0.00 -0.50 -0.67 0.13 -1.97 -2.15 132.00 129.83 3ag3 h PRO 30 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3ag3 h PRO 30 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3ag3 h PRO 30 CO 0.56 0.11 0.00 0.66 -0.23 0.00 0.00 178.00 179.09 3ag3 n TYR 31 N -3.60 1.68 -2.75 1.56 4.02 -1.26 -4.97 117.16 111.85 3ag3 n TYR 31 Ca -0.02 -0.75 -0.17 0.00 -0.01 0.00 0.00 57.90 56.96 3ag3 n TYR 31 Cb 0.23 -0.42 0.02 0.00 -0.02 0.00 0.00 39.34 39.16 3ag3 n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3ag3 n ASN 32 N 0.39 -4.94 0.11 7.72 3.02 -0.81 -4.88 115.26 115.87 3ag3 n ASN 32 Ca 0.26 -0.18 -0.04 0.00 -0.03 0.00 0.00 54.58 54.58 3ag3 n ASN 32 Cb 1.06 -3.83 0.07 0.00 -0.61 0.00 0.00 39.78 36.47 3ag3 n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3ag3 h ILE 33 N -0.89 1.52 -3.23 2.41 2.04 -1.93 -3.46 117.51 113.97 3ag3 h ILE 33 Ca -0.39 -2.53 -0.64 0.00 1.00 0.00 0.00 64.86 62.29 3ag3 h ILE 33 Cb 1.27 2.37 -0.10 0.00 -0.74 0.00 0.00 36.82 39.62 3ag3 h ILE 33 CO 0.43 0.73 -0.62 -0.76 0.00 0.00 0.00 178.15 177.92 3ag3 s LEU 34 N -7.36 3.68 0.08 1.44 1.43 -1.26 -5.08 118.68 111.61 3ag3 s LEU 34 Ca -0.01 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 3ag3 s LEU 34 Cb 0.12 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 3ag3 s LEU 34 CO 0.79 0.17 0.98 0.00 0.23 0.00 0.00 176.35 178.52 3ag3 s ALA 35 N -1.37 3.23 0.59 4.21 0.00 -1.26 -5.02 121.76 122.13 3ag3 s ALA 35 Ca 0.28 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.66 3ag3 s ALA 35 Cb -0.12 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 3ag3 s ALA 35 CO 0.21 -0.11 1.08 -2.14 0.00 0.00 0.00 175.76 174.79 3ag3 s PRO 36 N 0.31 3.27 -0.07 0.00 0.02 -1.26 -5.03 135.00 132.24 3ag3 s PRO 36 Ca 0.49 1.33 -0.13 0.00 0.02 0.00 0.00 61.00 62.71 3ag3 s PRO 36 Cb -0.23 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.22 3ag3 s PRO 36 CO 0.30 -0.87 0.32 0.15 -0.33 0.00 0.00 177.00 176.57 3ag3 s LYS 37 N -3.84 3.91 0.50 5.54 3.01 -1.26 -5.06 119.74 122.54 3ag3 s LYS 37 Ca 0.66 0.22 -0.20 0.00 -1.01 0.00 0.00 55.97 55.64 3ag3 s LYS 37 Cb -0.18 -3.27 -0.08 0.00 -1.01 0.00 0.00 37.83 33.29 3ag3 s LYS 37 CO 0.34 0.58 1.06 0.00 0.51 0.00 0.00 175.35 177.84 3ag3 s ALA 38 N -0.62 2.82 0.46 5.17 0.00 -1.26 -5.01 121.76 123.33 3ag3 s ALA 38 Ca 0.20 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3ag3 s ALA 38 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3ag3 s ALA 38 CO 0.09 -0.44 0.00 0.25 0.00 0.00 0.00 175.76 175.66 3ag3 n THR 39 N -1.06 0.00 0.77 0.00 -2.24 -1.26 -4.96 114.28 105.52 3ag3 n THR 39 Ca 0.10 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.01 3ag3 n THR 39 Cb 0.52 -1.46 0.50 0.00 -2.10 0.00 0.00 70.33 67.78 3ag3 n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ag3 n SER 40 N -0.62 0.44 -0.05 3.42 3.41 -1.26 -4.90 113.62 114.06 3ag3 n SER 40 Ca 0.00 0.55 -0.01 0.00 -0.26 0.00 0.00 58.87 59.15 3ag3 n SER 40 Cb 0.00 -0.66 -0.00 0.00 -0.26 0.00 0.00 64.21 63.28 3ag3 n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag3 n GLY 41 N 1.28 0.45 3.95 5.00 0.00 -0.66 -4.92 105.19 110.29 3ag3 n GLY 41 Ca 0.06 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 3ag3 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ag3 s THR 42 N -1.85 2.12 0.39 2.61 -4.23 -1.18 -0.19 115.64 113.31 3ag3 s THR 42 Ca 0.00 -0.28 0.06 0.00 -1.18 0.00 0.00 61.69 60.29 3ag3 s THR 42 Cb 0.00 -2.84 0.24 0.00 1.34 0.00 0.00 72.50 71.24 3ag3 s THR 42 CO 0.00 0.00 2.02 0.50 -0.54 0.00 0.00 174.62 176.60 3ag3 h LYS 43 N -0.96 0.55 0.00 3.99 3.64 -1.95 -2.51 116.57 119.34 3ag3 h LYS 43 Ca -0.42 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 58.83 3ag3 h LYS 43 Cb 1.27 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3ag3 h LYS 43 CO 0.45 0.41 -0.64 0.93 -2.27 0.00 0.00 179.45 178.33 3ag3 h GLU 44 N 0.56 0.00 -2.18 1.90 3.07 -2.01 -3.37 114.58 112.56 3ag3 h GLU 44 Ca 0.15 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.46 3ag3 h GLU 44 Cb 0.02 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.51 3ag3 h GLU 44 CO -0.02 0.32 -0.85 -3.47 -1.40 0.00 0.00 179.01 173.59 3ag3 n ASP 45 N -3.08 3.06 -4.82 1.42 4.64 -0.98 -5.12 116.55 111.68 3ag3 n ASP 45 Ca -0.00 -3.42 -0.30 0.00 -1.38 0.00 0.00 54.79 49.69 3ag3 n ASP 45 Cb 0.70 -0.59 0.07 0.00 -1.04 0.00 0.00 41.12 40.26 3ag3 n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3ag3 s PRO 46 N -3.02 2.57 0.22 -0.67 0.04 -1.03 -1.66 135.00 131.45 3ag3 s PRO 46 Ca 0.45 0.80 -0.30 0.00 0.04 0.00 0.00 61.00 61.99 3ag3 s PRO 46 Cb 0.30 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.79 3ag3 s PRO 46 CO -0.11 -1.32 1.22 -0.80 0.04 0.00 0.00 177.00 176.03 3ag3 s ASN 47 N -3.87 7.03 -0.32 6.66 0.01 -0.38 -4.78 114.94 119.29 3ag3 s ASN 47 Ca 0.59 2.33 -0.14 0.00 -0.71 0.00 0.00 52.86 54.94 3ag3 s ASN 47 Cb -0.14 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 38.88 3ag3 s ASN 47 CO 0.55 -0.39 0.29 -0.76 -1.51 0.00 0.00 177.10 175.27 3ag3 s LEU 48 N -0.56 4.36 -0.36 0.60 1.02 -1.26 -0.75 118.68 121.72 3ag3 s LEU 48 Ca 0.52 -0.21 -0.07 0.00 0.02 0.00 0.00 54.13 54.40 3ag3 s LEU 48 Cb -0.34 -2.24 0.06 0.00 0.02 0.00 0.00 46.19 43.68 3ag3 s LEU 48 CO 0.39 -0.24 0.15 -0.69 0.02 0.00 0.00 176.35 175.99 3ag3 s VAL 49 N 1.88 3.83 0.55 -1.59 1.01 0.35 -4.93 120.40 121.49 3ag3 s VAL 49 Ca 0.09 -1.29 -0.20 0.00 0.00 0.00 0.00 61.98 60.58 3ag3 s VAL 49 Cb -0.17 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 3ag3 s VAL 49 CO 0.11 -0.31 1.19 -2.84 0.00 0.00 0.00 175.10 173.25 3ag3 s PRO 50 N 1.38 3.26 -0.08 2.72 0.02 -1.26 -0.98 135.00 140.06 3ag3 s PRO 50 Ca 0.00 1.78 -0.14 0.00 0.02 0.00 0.00 61.00 62.66 3ag3 s PRO 50 Cb -0.21 -2.07 0.03 0.00 0.02 0.00 0.00 34.50 32.27 3ag3 s PRO 50 CO 0.02 -0.96 0.36 0.45 -0.33 0.00 0.00 177.00 176.54 3ag3 s SER 51 N -1.56 -0.31 0.00 2.53 0.15 -1.09 -4.83 113.70 108.58 3ag3 s SER 51 Ca 0.73 0.46 0.26 0.00 0.70 0.00 0.00 55.95 58.10 3ag3 s SER 51 Cb -0.29 0.56 1.52 0.00 -1.71 0.00 0.00 66.02 66.11 3ag3 s SER 51 CO 0.32 -0.28 1.91 2.30 1.20 0.00 0.00 173.24 178.69 3ag3 n ILE 52 N 2.11 0.03 -2.53 6.45 -5.35 -1.26 0.11 119.36 118.92 3ag3 n ILE 52 Ca -0.17 0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 3ag3 n ILE 52 Cb 0.57 -0.60 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 3ag3 n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3ag3 n THR 53 N -1.04 0.00 0.92 7.28 -2.24 -1.26 -4.77 114.28 113.17 3ag3 n THR 53 Ca 0.19 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 3ag3 n THR 53 Cb 0.10 0.00 0.32 0.00 -2.10 0.00 0.00 70.33 68.65 3ag3 n THR 53 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ag3 n ASN 54 N 0.00 0.44 -3.46 3.42 3.02 -1.26 -4.63 115.26 112.79 3ag3 n ASN 54 Ca 0.00 -0.01 -0.14 0.00 -0.03 0.00 0.00 54.58 54.40 3ag3 n ASN 54 Cb 0.00 0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 3ag3 n ASN 54 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3ag3 s LYS 55 N -3.03 1.20 -0.17 3.52 -2.85 -1.26 -0.54 119.74 116.61 3ag3 s LYS 55 Ca 0.11 -0.23 -0.23 0.00 -1.00 0.00 0.00 55.97 54.61 3ag3 s LYS 55 Cb 0.17 0.55 0.06 0.00 -2.06 0.00 0.00 37.83 36.55 3ag3 s LYS 55 CO 0.67 -0.48 0.61 0.50 0.10 0.00 0.00 175.35 176.74 3ag3 s ARG 56 N -2.89 0.80 0.20 1.78 3.52 -0.49 -4.95 118.95 116.92 3ag3 s ARG 56 Ca -0.03 0.61 -0.30 0.00 -0.13 0.00 0.00 55.73 55.88 3ag3 s ARG 56 Cb -0.01 0.38 -0.08 0.00 -1.56 0.00 0.00 34.95 33.69 3ag3 s ARG 56 CO -0.05 -0.16 1.09 0.42 -0.81 0.00 0.00 175.30 175.79 3ag3 s ILE 57 N -0.21 3.83 -0.07 4.11 1.01 -1.26 -0.54 121.20 128.07 3ag3 s ILE 57 Ca -0.04 1.64 0.02 0.00 0.00 0.00 0.00 60.65 62.26 3ag3 s ILE 57 Cb -0.03 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 3ag3 s ILE 57 CO 0.03 0.31 -0.10 -0.69 0.00 0.00 0.00 174.94 174.49 3ag3 s VAL 58 N -0.44 3.41 -0.13 2.92 1.01 0.21 -4.92 120.40 122.46 3ag3 s VAL 58 Ca 0.48 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 3ag3 s VAL 58 Cb -0.29 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 3ag3 s VAL 58 CO 0.36 0.59 -0.08 -0.83 0.00 0.00 0.00 175.10 175.13 3ag3 s GLY 59 N -0.63 1.64 -0.25 4.51 0.00 -1.26 -1.34 107.32 109.99 3ag3 s GLY 59 Ca 0.09 -0.86 -0.03 0.00 0.00 0.00 0.00 44.72 43.92 3ag3 s GLY 59 CO 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 173.10 172.84 3ag3 s ILE 61 N 1.40 4.55 0.22 0.00 1.01 -1.26 -1.31 121.20 125.80 3ag3 s ILE 61 Ca 0.02 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 3ag3 s ILE 61 Cb -0.16 -4.68 0.03 0.00 0.01 0.00 0.00 42.46 37.67 3ag3 s ILE 61 CO -0.03 -1.41 1.63 0.00 0.00 0.00 0.00 174.94 175.13 3ag3 s GLU 63 N -4.59 0.80 0.25 0.00 2.02 -1.26 -5.04 118.70 110.88 3ag3 s GLU 63 Ca -0.09 -0.89 -0.30 0.00 0.02 0.00 0.00 54.97 53.71 3ag3 s GLU 63 Cb 0.13 -0.79 -0.14 0.00 0.10 0.00 0.00 34.13 33.43 3ag3 s GLU 63 CO 0.83 0.18 1.23 -1.91 0.02 0.00 0.00 175.26 175.62 3ag3 n GLU 64 N 1.43 1.68 0.00 1.61 2.13 -1.26 -1.70 120.64 124.53 3ag3 n GLU 64 Ca -0.21 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.21 3ag3 n GLU 64 Cb 0.54 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 30.12 3ag3 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3ag3 n ASP 65 N 1.66 0.00 -4.59 4.31 10.43 -1.26 -4.98 116.55 122.12 3ag3 n ASP 65 Ca 0.11 0.00 -0.47 0.00 2.57 0.00 0.00 54.79 56.99 3ag3 n ASP 65 Cb 0.31 -0.07 -0.03 0.00 1.84 0.00 0.00 41.12 43.16 3ag3 n ASP 65 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3ag3 n ASN 66 N 0.00 1.52 0.12 -2.24 4.13 -0.69 -4.88 115.26 113.21 3ag3 n ASN 66 Ca 0.00 1.15 0.12 0.00 1.68 0.00 0.00 54.58 57.53 3ag3 n ASN 66 Cb 0.00 -1.26 0.07 0.00 -1.54 0.00 0.00 39.78 37.05 3ag3 n ASN 66 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3ag3 h SER 67 N 3.23 0.00 -3.35 6.41 4.64 -1.93 -3.45 113.55 119.09 3ag3 h SER 67 Ca -0.43 -0.04 -0.58 0.00 -0.47 0.00 0.00 61.79 60.27 3ag3 h SER 67 Cb 1.33 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.35 3ag3 h SER 67 CO 0.69 0.02 0.26 -0.89 -0.87 0.00 0.00 176.83 176.04 3ag3 s THR 68 N -3.29 4.95 -0.04 2.95 2.01 -1.26 -5.05 115.64 115.90 3ag3 s THR 68 Ca 0.02 1.44 -0.02 0.00 0.31 0.00 0.00 61.69 63.44 3ag3 s THR 68 Cb 0.10 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 3ag3 s THR 68 CO 0.75 0.08 0.09 -0.69 -0.69 0.00 0.00 174.62 174.16 3ag3 s VAL 69 N 1.94 4.89 -0.17 3.82 1.01 -1.26 -4.62 120.40 126.00 3ag3 s VAL 69 Ca 0.34 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 3ag3 s VAL 69 Cb -0.16 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3ag3 s VAL 69 CO 0.12 0.44 -0.02 -0.63 0.00 0.00 0.00 175.10 175.01 3ag3 s ILE 70 N -1.12 3.97 0.02 2.22 -1.09 -0.43 -4.87 121.20 119.89 3ag3 s ILE 70 Ca 0.20 -0.32 0.07 0.00 -2.23 0.00 0.00 60.65 58.37 3ag3 s ILE 70 Cb -0.12 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.97 3ag3 s ILE 70 CO 0.11 0.47 -0.21 0.26 -1.23 0.00 0.00 174.94 174.34 3ag3 s TRP 71 N 0.59 2.48 -0.01 3.97 0.52 -1.26 0.44 118.94 125.67 3ag3 s TRP 71 Ca -0.02 -0.31 -0.29 0.00 0.02 0.00 0.00 56.10 55.51 3ag3 s TRP 71 Cb -0.14 -1.47 0.10 0.00 -1.15 0.00 0.00 33.47 30.81 3ag3 s TRP 71 CO 0.02 0.17 0.88 -0.59 0.02 0.00 0.00 176.95 177.45 3ag3 s PHE 72 N -0.83 -0.36 0.02 -1.98 -0.12 -0.45 -4.99 117.98 109.28 3ag3 s PHE 72 Ca 0.13 0.25 -0.30 0.00 -0.05 0.00 0.00 56.93 56.96 3ag3 s PHE 72 Cb -0.10 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 3ag3 s PHE 72 CO 0.03 -0.55 0.97 -1.58 -0.05 0.00 0.00 175.22 174.04 3ag3 s TRP 73 N -3.01 3.69 -0.22 3.49 0.52 -1.26 -0.62 118.94 121.53 3ag3 s TRP 73 Ca 0.04 1.70 -0.08 0.00 0.02 0.00 0.00 56.10 57.78 3ag3 s TRP 73 Cb -0.01 -3.09 -0.04 0.00 -1.15 0.00 0.00 33.47 29.17 3ag3 s TRP 73 CO -0.08 0.04 0.10 -1.17 0.02 0.00 0.00 176.95 175.85 3ag3 s LEU 74 N 0.79 3.82 0.07 2.99 2.96 0.29 -4.92 118.68 124.68 3ag3 s LEU 74 Ca 0.50 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.46 3ag3 s LEU 74 Cb -0.21 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 3ag3 s LEU 74 CO 0.28 0.08 0.06 -1.00 -1.32 0.00 0.00 176.35 174.45 3ag3 s HIS 75 N 0.94 3.15 0.22 5.38 3.76 -1.26 -1.39 115.29 126.08 3ag3 s HIS 75 Ca 0.05 0.06 -0.29 0.00 -0.15 0.00 0.00 55.06 54.73 3ag3 s HIS 75 Cb -0.14 -1.61 -0.16 0.00 1.11 0.00 0.00 32.58 31.78 3ag3 s HIS 75 CO 0.03 0.51 0.85 1.17 -0.85 0.00 0.00 174.74 176.45 3ag3 n LYS 76 N 0.58 0.73 0.00 1.40 4.81 0.30 -4.47 118.16 121.51 3ag3 n LYS 76 Ca -0.10 0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 3ag3 n LYS 76 Cb 0.52 -1.51 0.00 0.00 0.02 0.00 0.00 35.03 34.06 3ag3 n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ag3 n GLY 77 N 1.66 0.53 3.72 3.14 0.00 -1.26 -5.03 105.19 107.96 3ag3 n GLY 77 Ca 0.14 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 3ag3 n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ag3 n GLU 78 N 0.00 2.20 -1.36 1.61 2.13 -1.26 -4.70 120.64 119.25 3ag3 n GLU 78 Ca 0.00 0.78 -0.39 0.00 0.66 0.00 0.00 57.16 58.20 3ag3 n GLU 78 Cb 0.00 -2.46 0.02 0.00 0.27 0.00 0.00 31.44 29.27 3ag3 n GLU 78 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ag3 n ALA 79 N 0.11 -2.13 -2.56 4.31 0.00 -1.26 -4.94 120.51 114.04 3ag3 n ALA 79 Ca 0.05 0.01 -0.26 0.00 0.00 0.00 0.00 53.44 53.24 3ag3 n ALA 79 Cb 0.38 -1.62 -0.10 0.00 0.00 0.00 0.00 19.45 18.11 3ag3 n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ag3 s GLN 80 N -1.47 1.90 0.05 0.00 -0.21 0.08 -4.89 119.66 115.12 3ag3 s GLN 80 Ca 0.62 -1.96 0.09 0.00 0.02 0.00 0.00 55.36 54.13 3ag3 s GLN 80 Cb -0.51 -1.72 -0.03 0.00 1.00 0.00 0.00 33.01 31.75 3ag3 s GLN 80 CO 0.60 0.08 -0.23 1.03 -2.12 0.00 0.00 175.29 174.65 3ag3 s ARG 81 N -3.66 1.86 0.14 2.91 0.52 -1.26 -0.52 118.95 118.94 3ag3 s ARG 81 Ca 0.34 -1.09 -0.33 0.00 -0.52 0.00 0.00 55.73 54.13 3ag3 s ARG 81 Cb 0.04 -2.05 -0.12 0.00 0.52 0.00 0.00 34.95 33.34 3ag3 s ARG 81 CO 0.17 0.51 1.73 0.00 0.02 0.00 0.00 175.30 177.74 3ag3 n PRO 83 N 4.55 0.35 -0.13 0.00 -0.04 -1.26 -0.18 135.00 138.28 3ag3 n PRO 83 Ca 0.17 0.08 -0.28 0.00 -0.04 0.00 0.00 63.50 63.44 3ag3 n PRO 83 Cb 0.33 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.19 3ag3 n PRO 83 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3ag3 n SER 84 N -1.19 1.95 -0.20 3.54 2.88 -1.26 -4.78 113.62 114.56 3ag3 n SER 84 Ca 0.10 0.31 0.04 0.00 -1.33 0.00 0.00 58.87 57.98 3ag3 n SER 84 Cb 0.11 -0.81 0.01 0.00 -0.75 0.00 0.00 64.21 62.77 3ag3 n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ag3 n GLY 86 N 0.66 0.94 3.73 0.00 0.00 0.74 -4.93 105.19 106.33 3ag3 n GLY 86 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3ag3 n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ag3 n THR 87 N -2.00 4.67 -3.68 2.61 -2.24 -1.26 -4.36 114.28 108.01 3ag3 n THR 87 Ca 0.00 -0.50 -0.34 0.00 -2.27 0.00 0.00 64.05 60.94 3ag3 n THR 87 Cb 0.00 -1.51 -0.05 0.00 -2.10 0.00 0.00 70.33 66.67 3ag3 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ag3 s HIS 88 N -1.37 3.57 -0.00 4.78 0.09 0.74 -0.87 115.29 122.23 3ag3 s HIS 88 Ca 0.80 0.65 0.02 0.00 -0.00 0.00 0.00 55.06 56.52 3ag3 s HIS 88 Cb -0.39 -2.05 -0.01 0.00 -0.00 0.00 0.00 32.58 30.13 3ag3 s HIS 88 CO 0.42 0.56 -0.06 0.71 -0.00 0.00 0.00 174.74 176.37 3ag3 s TYR 89 N -1.38 0.51 -0.07 1.40 2.02 0.32 -1.25 117.35 118.89 3ag3 s TYR 89 Ca 0.31 -0.12 0.01 0.00 -0.37 0.00 0.00 57.07 56.90 3ag3 s TYR 89 Cb -0.13 -0.32 0.02 0.00 -0.40 0.00 0.00 41.96 41.12 3ag3 s TYR 89 CO 0.18 -0.01 -0.07 0.21 -1.57 0.00 0.00 175.55 174.29 3ag3 s LYS 90 N -0.23 1.24 0.24 -0.62 2.20 0.07 -0.74 119.74 121.89 3ag3 s LYS 90 Ca 0.01 -0.20 -0.30 0.00 -0.36 0.00 0.00 55.97 55.12 3ag3 s LYS 90 Cb -0.03 -1.23 -0.09 0.00 -1.51 0.00 0.00 37.83 34.97 3ag3 s LYS 90 CO -0.00 -0.14 1.07 -1.17 -0.36 0.00 0.00 175.35 174.75 3ag3 s LEU 91 N 1.23 4.55 -0.58 5.43 2.96 -1.26 -0.50 118.68 130.51 3ag3 s LEU 91 Ca -0.05 2.15 0.04 0.00 -0.22 0.00 0.00 54.13 56.05 3ag3 s LEU 91 Cb -0.14 -3.62 0.15 0.00 0.50 0.00 0.00 46.19 43.08 3ag3 s LEU 91 CO -0.02 -0.11 0.35 0.68 -1.32 0.00 0.00 176.35 175.93 3ag3 s VAL 92 N -0.88 2.56 0.11 1.68 -7.23 -0.16 -4.74 120.40 111.75 3ag3 s VAL 92 Ca 0.45 -3.60 -0.32 0.00 -1.81 0.00 0.00 61.98 56.70 3ag3 s VAL 92 Cb -0.30 -2.74 -0.12 0.00 0.56 0.00 0.00 36.38 33.78 3ag3 s VAL 92 CO 0.37 -0.89 1.78 -2.65 -0.31 0.00 0.00 175.10 173.41 3ag3 n PRO 93 N 2.72 2.60 0.00 4.82 -0.02 -1.26 -2.68 135.00 141.18 3ag3 n PRO 93 Ca 0.11 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 3ag3 n PRO 93 Cb 0.34 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 3ag3 n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3ag3 n HIS 94 N 5.16 -0.12 0.00 6.00 8.25 0.31 -4.89 115.22 129.93 3ag3 n HIS 94 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3ag3 n HIS 94 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 3ag3 n HIS 94 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3ag3 n GLN 95 N -0.06 0.00 0.00 -0.41 1.13 -1.26 -4.86 117.38 111.92 3ag3 n GLN 95 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3ag3 n GLN 95 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3ag3 n GLN 95 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3ag3 n LEU 96 N 0.00 0.00 -4.79 1.08 0.00 -1.26 -4.87 117.00 107.15 3ag3 n LEU 96 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.67 3ag3 n LEU 96 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.39 3ag3 n LEU 96 CO 0.00 0.00 0.73 0.00 0.00 0.00 0.00 177.39 178.12 3ag3 s ALA 97 N -1.00 2.84 -2.07 1.96 0.00 -1.26 -5.14 121.76 117.08 3ag3 s ALA 97 Ca 0.00 0.65 0.17 0.00 0.00 0.00 0.00 51.96 52.77 3ag3 s ALA 97 Cb 0.00 -3.27 0.13 0.00 0.00 0.00 0.00 23.12 19.98 3ag3 s ALA 97 CO 0.00 -0.41 1.03 0.72 0.00 0.00 0.00 175.76 177.10