#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 n SER 2 N 0.00 -1.34 0.00 0.00 3.41 -1.26 -5.21 113.62 109.23 3ag4 n SER 2 Ca 0.00 -2.22 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 3ag4 n SER 2 Cb 0.00 2.32 0.00 0.00 -0.26 0.00 0.00 64.21 66.27 3ag4 n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag4 n GLY 3 N -0.39 0.18 0.00 5.00 0.00 -1.26 -5.20 105.19 103.53 3ag4 n GLY 3 Ca -0.03 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.44 3ag4 n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag4 n GLY 4 N -1.40 4.65 0.00 -0.02 0.00 -1.26 -4.98 105.19 102.18 3ag4 n GLY 4 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3ag4 n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ag4 n GLY 5 N 5.00 0.75 3.62 -0.02 0.00 -1.26 -5.07 105.19 108.21 3ag4 n GLY 5 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3ag4 n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ag4 s VAL 6 N -2.00 5.10 0.87 1.61 1.01 -1.26 -5.08 120.40 120.65 3ag4 s VAL 6 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 3ag4 s VAL 6 Cb 0.00 -3.37 0.12 0.00 0.00 0.00 0.00 36.38 33.13 3ag4 s VAL 6 CO 0.00 0.36 1.10 -2.16 0.00 0.00 0.00 175.10 174.40 3ag4 s PRO 7 N 1.06 1.40 0.31 2.72 0.04 -1.26 -5.04 135.00 134.23 3ag4 s PRO 7 Ca 0.06 1.19 0.05 0.00 0.04 0.00 0.00 61.00 62.35 3ag4 s PRO 7 Cb -0.14 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 3ag4 s PRO 7 CO 0.04 -2.25 0.45 0.95 0.04 0.00 0.00 177.00 176.23 3ag4 s THR 8 N -2.79 4.56 0.37 1.26 -4.23 -1.26 -4.99 115.64 108.55 3ag4 s THR 8 Ca 0.64 -0.91 0.04 0.00 -1.18 0.00 0.00 61.69 60.28 3ag4 s THR 8 Cb -0.20 -3.61 0.27 0.00 1.34 0.00 0.00 72.50 70.31 3ag4 s THR 8 CO 0.57 -0.26 2.00 0.44 -0.54 0.00 0.00 174.62 176.84 3ag4 h ASP 9 N 0.94 0.65 -0.87 3.99 3.32 -1.96 -0.12 116.42 122.37 3ag4 h ASP 9 Ca -0.48 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 3ag4 h ASP 9 Cb 1.24 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.60 3ag4 h ASP 9 CO 0.57 0.46 0.54 -0.08 -1.72 0.00 0.00 179.24 179.00 3ag4 h GLU 10 N 0.76 1.18 0.08 3.56 4.57 -1.95 0.31 114.58 123.10 3ag4 h GLU 10 Ca 0.24 -0.10 -0.26 0.00 -1.18 0.00 0.00 59.36 58.07 3ag4 h GLU 10 Cb 0.03 -0.25 0.01 0.00 -0.16 0.00 0.00 28.75 28.37 3ag4 h GLU 10 CO -0.06 0.82 -1.12 0.93 -1.18 0.00 0.00 179.01 178.39 3ag4 h GLU 11 N 1.21 0.35 0.00 1.92 5.08 -1.81 -3.42 114.58 117.90 3ag4 h GLU 11 Ca 0.32 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3ag4 h GLU 11 Cb -0.07 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3ag4 h GLU 11 CO -0.06 1.18 -0.62 0.94 -1.00 0.00 0.00 179.01 179.46 3ag4 n GLN 12 N -3.64 2.16 -1.50 2.33 7.27 -0.11 -4.98 117.38 118.91 3ag4 n GLN 12 Ca -0.08 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.62 3ag4 n GLN 12 Cb 0.94 -0.79 0.07 0.00 2.41 0.00 0.00 30.24 32.88 3ag4 n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ag4 n ALA 13 N -1.03 0.01 -3.11 1.69 0.00 0.11 -5.01 120.51 113.16 3ag4 n ALA 13 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 3ag4 n ALA 13 Cb 0.00 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.29 3ag4 n ALA 13 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3ag4 s THR 14 N -1.65 0.00 0.00 0.00 -1.32 -1.26 -4.66 115.64 106.75 3ag4 s THR 14 Ca 0.75 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.78 3ag4 s THR 14 Cb -0.38 -2.47 0.00 0.00 -1.51 0.00 0.00 72.50 68.14 3ag4 s THR 14 CO 0.48 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.50 3ag4 n GLY 15 N -0.47 2.00 0.24 6.08 0.00 -1.26 -1.87 105.19 109.91 3ag4 n GLY 15 Ca -0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 3ag4 n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ag4 h LEU 16 N 0.00 0.61 -0.46 0.99 5.85 -1.99 -2.35 115.31 117.96 3ag4 h LEU 16 Ca 0.00 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.56 3ag4 h LEU 16 Cb 0.00 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 3ag4 h LEU 16 CO 0.00 0.88 0.08 -0.08 -0.34 0.00 0.00 178.44 178.98 3ag4 h GLU 17 N 0.51 0.21 -0.50 1.25 4.81 -1.90 0.15 114.58 119.10 3ag4 h GLU 17 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3ag4 h GLU 17 Cb 0.78 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3ag4 h GLU 17 CO 0.06 0.14 0.33 -0.09 -0.73 0.00 0.00 179.01 178.72 3ag4 h ARG 18 N 0.21 0.66 -0.64 1.92 2.43 -0.91 -1.96 114.38 116.10 3ag4 h ARG 18 Ca 0.23 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 3ag4 h ARG 18 Cb 0.29 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 3ag4 h ARG 18 CO -0.30 0.44 0.31 0.93 -1.51 0.00 0.00 179.97 179.83 3ag4 h GLU 19 N 0.68 0.93 -0.30 0.20 5.08 -0.94 0.14 114.58 120.36 3ag4 h GLU 19 Ca 0.18 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3ag4 h GLU 19 Cb -0.08 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 3ag4 h GLU 19 CO -0.04 0.74 0.16 0.28 -1.00 0.00 0.00 179.01 179.16 3ag4 h VAL 20 N 0.89 1.01 -0.80 3.13 2.07 -0.56 -1.07 116.25 120.92 3ag4 h VAL 20 Ca 0.22 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 3ag4 h VAL 20 Cb 0.12 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3ag4 h VAL 20 CO -0.03 0.06 0.41 -0.03 0.02 0.00 0.00 177.57 178.00 3ag4 h MET 21 N 0.34 1.13 -0.05 1.57 1.85 -0.75 -1.60 114.93 117.41 3ag4 h MET 21 Ca 0.12 -0.14 -0.10 0.00 -0.61 0.00 0.00 59.70 58.96 3ag4 h MET 21 Cb 0.02 -0.21 0.01 0.00 0.43 0.00 0.00 31.60 31.84 3ag4 h MET 21 CO -0.07 0.85 -0.37 -0.07 -0.40 0.00 0.00 176.91 176.84 3ag4 h LEU 22 N 1.12 0.41 -0.30 3.39 3.38 -0.78 -2.41 115.31 120.12 3ag4 h LEU 22 Ca 0.28 -0.69 0.07 0.00 0.09 0.00 0.00 57.88 57.63 3ag4 h LEU 22 Cb 0.07 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 3ag4 h LEU 22 CO -0.04 1.03 -0.14 0.00 0.09 0.00 0.00 178.44 179.39 3ag4 h ALA 23 N 0.38 0.11 -0.82 1.53 0.00 -1.12 -2.05 119.26 117.29 3ag4 h ALA 23 Ca -0.03 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3ag4 h ALA 23 Cb 1.05 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 3ag4 h ALA 23 CO 0.08 -0.53 0.53 0.00 0.00 0.00 0.00 179.25 179.33 3ag4 h ALA 24 N 1.16 1.74 -0.89 0.00 0.00 -1.25 -0.19 119.26 119.83 3ag4 h ALA 24 Ca 0.16 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3ag4 h ALA 24 Cb 0.32 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3ag4 h ALA 24 CO -0.36 0.09 0.56 -0.09 0.00 0.00 0.00 179.25 179.45 3ag4 h ARG 25 N 0.76 1.02 0.00 0.00 2.43 -0.85 -1.93 114.38 115.81 3ag4 h ARG 25 Ca 0.38 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 3ag4 h ARG 25 Cb 0.45 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3ag4 h ARG 25 CO -0.15 0.67 0.00 1.63 -1.51 0.00 0.00 179.97 180.61 3ag4 n LYS 26 N -4.57 0.99 -1.85 0.20 5.02 -0.16 -4.92 118.16 112.87 3ag4 n LYS 26 Ca 0.12 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.29 3ag4 n LYS 26 Cb 0.15 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 3ag4 n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ag4 n GLY 27 N 0.88 0.51 3.88 0.72 0.00 -0.73 -5.03 105.19 105.41 3ag4 n GLY 27 Ca 0.19 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 3ag4 n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ag4 s GLN 28 N -3.94 3.13 -0.39 1.61 -0.21 -0.73 -5.00 119.66 114.12 3ag4 s GLN 28 Ca 0.00 -0.91 0.11 0.00 0.02 0.00 0.00 55.36 54.58 3ag4 s GLN 28 Cb 0.00 -2.70 0.33 0.00 1.00 0.00 0.00 33.01 31.63 3ag4 s GLN 28 CO 0.00 0.43 0.70 -3.47 -2.12 0.00 0.00 175.29 170.82 3ag4 n ASP 29 N -1.13 0.94 0.29 5.90 2.03 -1.26 -3.76 116.55 119.55 3ag4 n ASP 29 Ca -0.08 -2.99 0.18 0.00 0.52 0.00 0.00 54.79 52.42 3ag4 n ASP 29 Cb 0.57 -0.62 0.78 0.00 -0.72 0.00 0.00 41.12 41.13 3ag4 n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3ag4 h PRO 30 N 3.24 0.00 -0.49 -0.67 0.13 -1.97 -2.48 132.00 129.77 3ag4 h PRO 30 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3ag4 h PRO 30 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3ag4 h PRO 30 CO 0.51 0.01 0.00 0.66 -0.23 0.00 0.00 178.00 178.96 3ag4 n TYR 31 N -3.12 0.83 -3.40 1.56 4.02 -1.26 -4.97 117.16 110.83 3ag4 n TYR 31 Ca -0.00 -0.56 -0.19 0.00 -0.01 0.00 0.00 57.90 57.13 3ag4 n TYR 31 Cb 0.26 -0.09 0.07 0.00 -0.02 0.00 0.00 39.34 39.56 3ag4 n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3ag4 n ASN 32 N 0.78 -4.99 0.11 7.72 3.02 -0.93 -4.90 115.26 116.06 3ag4 n ASN 32 Ca 0.18 -0.48 -0.03 0.00 -0.03 0.00 0.00 54.58 54.23 3ag4 n ASN 32 Cb 0.61 -4.43 0.07 0.00 -0.61 0.00 0.00 39.78 35.43 3ag4 n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3ag4 h ILE 33 N -2.19 1.50 -2.64 2.41 2.04 -1.93 -3.46 117.51 113.23 3ag4 h ILE 33 Ca -0.49 -2.55 -0.56 0.00 1.00 0.00 0.00 64.86 62.26 3ag4 h ILE 33 Cb 1.31 2.39 -0.06 0.00 -0.74 0.00 0.00 36.82 39.71 3ag4 h ILE 33 CO 0.47 0.72 -0.55 -0.76 0.00 0.00 0.00 178.15 178.03 3ag4 s LEU 34 N -7.24 3.85 -0.16 1.44 1.43 -1.26 -5.08 118.68 111.66 3ag4 s LEU 34 Ca -0.00 -0.12 -0.26 0.00 -1.03 0.00 0.00 54.13 52.72 3ag4 s LEU 34 Cb 0.12 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 3ag4 s LEU 34 CO 0.78 0.06 0.88 0.00 0.23 0.00 0.00 176.35 178.29 3ag4 s ALA 35 N -1.79 3.50 0.43 4.21 0.00 -1.26 -5.03 121.76 121.82 3ag4 s ALA 35 Ca 0.31 0.12 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 3ag4 s ALA 35 Cb -0.10 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 3ag4 s ALA 35 CO 0.24 -0.66 1.31 -1.25 0.00 0.00 0.00 175.76 175.40 3ag4 s PRO 36 N 2.18 3.82 -0.02 0.00 0.04 -1.26 -5.01 135.00 134.75 3ag4 s PRO 36 Ca 0.41 2.15 -0.22 0.00 0.04 0.00 0.00 61.00 63.38 3ag4 s PRO 36 Cb -0.17 -2.65 -0.05 0.00 0.04 0.00 0.00 34.50 31.68 3ag4 s PRO 36 CO 0.13 -0.61 0.66 0.15 0.04 0.00 0.00 177.00 177.37 3ag4 s LYS 37 N -2.39 4.40 0.43 4.56 3.01 -1.26 -5.06 119.74 123.42 3ag4 s LYS 37 Ca 0.60 0.84 -0.25 0.00 -1.01 0.00 0.00 55.97 56.14 3ag4 s LYS 37 Cb -0.38 -3.39 -0.08 0.00 -1.01 0.00 0.00 37.83 32.97 3ag4 s LYS 37 CO 0.48 0.23 1.24 0.00 0.51 0.00 0.00 175.35 177.82 3ag4 s ALA 38 N 0.22 3.14 1.00 5.17 0.00 -1.26 -5.02 121.76 125.01 3ag4 s ALA 38 Ca 0.34 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3ag4 s ALA 38 Cb -0.18 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3ag4 s ALA 38 CO 0.18 -0.75 0.00 0.25 0.00 0.00 0.00 175.76 175.44 3ag4 n THR 39 N -0.09 0.00 0.52 0.00 -2.24 -1.26 -4.95 114.28 106.25 3ag4 n THR 39 Ca 0.05 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 3ag4 n THR 39 Cb 0.45 -1.98 0.45 0.00 -2.10 0.00 0.00 70.33 67.16 3ag4 n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ag4 n SER 40 N -1.89 0.54 -0.34 3.42 3.41 -1.26 -4.91 113.62 112.59 3ag4 n SER 40 Ca 0.00 0.60 -0.04 0.00 -0.26 0.00 0.00 58.87 59.17 3ag4 n SER 40 Cb 0.00 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.20 3ag4 n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ag4 n GLY 41 N 0.43 0.66 3.81 5.00 0.00 -0.86 -4.92 105.19 109.31 3ag4 n GLY 41 Ca 0.04 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 3ag4 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ag4 s THR 42 N -1.90 2.92 0.38 2.61 -4.23 -1.19 0.02 115.64 114.25 3ag4 s THR 42 Ca 0.00 0.30 0.17 0.00 -1.18 0.00 0.00 61.69 60.98 3ag4 s THR 42 Cb 0.00 -3.06 0.38 0.00 1.34 0.00 0.00 72.50 71.16 3ag4 s THR 42 CO 0.00 -0.39 1.76 0.50 -0.54 0.00 0.00 174.62 175.95 3ag4 h LYS 43 N -1.12 0.41 0.00 3.99 3.64 -1.94 -2.21 116.57 119.33 3ag4 h LYS 43 Ca -0.47 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 58.72 3ag4 h LYS 43 Cb 1.28 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 3ag4 h LYS 43 CO 0.60 0.27 -1.07 0.93 -2.27 0.00 0.00 179.45 177.90 3ag4 h GLU 44 N 0.42 0.00 -2.18 1.90 3.07 -2.01 -3.37 114.58 112.40 3ag4 h GLU 44 Ca 0.61 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.90 3ag4 h GLU 44 Cb 1.49 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 28.99 3ag4 h GLU 44 CO -0.33 0.46 -0.76 -3.47 -1.40 0.00 0.00 179.01 173.50 3ag4 n ASP 45 N -3.07 3.22 -4.85 1.42 4.64 -0.92 -5.11 116.55 111.89 3ag4 n ASP 45 Ca -0.05 -3.40 -0.31 0.00 -1.38 0.00 0.00 54.79 49.65 3ag4 n ASP 45 Cb 0.83 -0.61 0.01 0.00 -1.04 0.00 0.00 41.12 40.31 3ag4 n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 3ag4 s PRO 46 N -2.73 3.48 0.24 -0.67 0.04 -0.88 -2.03 135.00 132.45 3ag4 s PRO 46 Ca 0.43 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 3ag4 s PRO 46 Cb 0.23 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.61 3ag4 s PRO 46 CO -0.09 -0.66 1.36 -0.80 0.04 0.00 0.00 177.00 176.85 3ag4 s ASN 47 N -3.75 6.78 -0.38 6.66 0.01 0.48 -4.79 114.94 119.95 3ag4 s ASN 47 Ca 0.57 2.55 -0.15 0.00 -0.71 0.00 0.00 52.86 55.13 3ag4 s ASN 47 Cb -0.12 -2.62 0.01 0.00 0.41 0.00 0.00 41.25 38.92 3ag4 s ASN 47 CO 0.48 -0.59 0.31 -0.76 -1.51 0.00 0.00 177.10 175.03 3ag4 s LEU 48 N -0.50 4.82 -0.46 0.60 1.02 -1.26 0.09 118.68 122.99 3ag4 s LEU 48 Ca 0.56 -0.64 -0.13 0.00 0.02 0.00 0.00 54.13 53.94 3ag4 s LEU 48 Cb -0.39 -2.21 0.08 0.00 0.02 0.00 0.00 46.19 43.69 3ag4 s LEU 48 CO 0.43 -0.40 0.35 -0.69 0.02 0.00 0.00 176.35 176.06 3ag4 s VAL 49 N 1.81 4.76 0.59 -1.59 1.01 -0.20 -4.92 120.40 121.85 3ag4 s VAL 49 Ca 0.07 -1.29 -0.17 0.00 0.00 0.00 0.00 61.98 60.59 3ag4 s VAL 49 Cb -0.18 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3ag4 s VAL 49 CO 0.11 -0.59 1.09 -2.16 0.00 0.00 0.00 175.10 173.55 3ag4 s PRO 50 N 1.53 3.22 -0.05 2.72 0.04 -1.26 -1.09 135.00 140.11 3ag4 s PRO 50 Ca 0.04 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.36 3ag4 s PRO 50 Cb -0.24 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.31 3ag4 s PRO 50 CO 0.04 -0.91 0.27 0.45 0.04 0.00 0.00 177.00 176.88 3ag4 s SER 51 N -2.34 -0.20 0.00 6.66 0.15 -1.10 -4.86 113.70 112.01 3ag4 s SER 51 Ca 0.68 0.26 0.17 0.00 0.70 0.00 0.00 55.95 57.75 3ag4 s SER 51 Cb -0.20 0.42 0.79 0.00 -1.71 0.00 0.00 66.02 65.32 3ag4 s SER 51 CO 0.33 -0.28 1.51 2.30 1.20 0.00 0.00 173.24 178.30 3ag4 n ILE 52 N 2.05 0.66 -2.28 6.45 -5.35 -1.26 -0.99 119.36 118.63 3ag4 n ILE 52 Ca -0.18 0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 3ag4 n ILE 52 Cb 0.57 -0.89 0.00 0.00 -1.74 0.00 0.00 39.64 37.58 3ag4 n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3ag4 n THR 53 N -1.37 0.00 0.17 7.28 -2.24 -1.26 -4.91 114.28 111.94 3ag4 n THR 53 Ca 0.06 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.87 3ag4 n THR 53 Cb 0.16 0.00 0.28 0.00 -2.10 0.00 0.00 70.33 68.67 3ag4 n THR 53 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3ag4 h ASN 54 N 0.00 0.00 -5.00 3.42 2.35 -1.95 -3.42 115.58 110.98 3ag4 h ASN 54 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 3ag4 h ASN 54 Cb 0.00 0.00 -0.19 0.00 0.05 0.00 0.00 38.32 38.18 3ag4 h ASN 54 CO 0.00 0.47 -0.02 -1.59 -1.65 0.00 0.00 177.43 174.64 3ag4 s LYS 55 N -3.70 0.90 -0.04 0.81 -2.85 -1.26 -1.21 119.74 112.39 3ag4 s LYS 55 Ca -0.01 0.01 -0.11 0.00 -1.00 0.00 0.00 55.97 54.86 3ag4 s LYS 55 Cb 0.12 0.41 0.02 0.00 -2.06 0.00 0.00 37.83 36.32 3ag4 s LYS 55 CO 0.72 -0.28 0.24 0.50 0.10 0.00 0.00 175.35 176.63 3ag4 s ARG 56 N -1.42 0.49 -0.05 1.78 3.52 0.10 -4.92 118.95 118.45 3ag4 s ARG 56 Ca -0.11 -0.07 -0.30 0.00 -0.13 0.00 0.00 55.73 55.12 3ag4 s ARG 56 Cb -0.02 0.22 -0.03 0.00 -1.56 0.00 0.00 34.95 33.56 3ag4 s ARG 56 CO 0.06 -0.11 1.13 0.42 -0.81 0.00 0.00 175.30 175.99 3ag4 s ILE 57 N -0.85 4.42 -0.12 4.11 1.01 -1.26 0.59 121.20 129.10 3ag4 s ILE 57 Ca -0.09 1.73 -0.04 0.00 0.00 0.00 0.00 60.65 62.25 3ag4 s ILE 57 Cb -0.05 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 3ag4 s ILE 57 CO 0.02 0.03 0.04 -0.69 0.00 0.00 0.00 174.94 174.33 3ag4 s VAL 58 N 1.93 4.59 -0.11 2.92 1.01 0.65 -4.93 120.40 126.47 3ag4 s VAL 58 Ca 0.54 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.37 3ag4 s VAL 58 Cb -0.23 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 3ag4 s VAL 58 CO 0.22 0.57 -0.05 -0.83 0.00 0.00 0.00 175.10 175.01 3ag4 s GLY 59 N -0.58 1.71 -0.15 4.51 0.00 -1.26 -1.10 107.32 110.45 3ag4 s GLY 59 Ca 0.10 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.98 3ag4 s GLY 59 CO 0.02 -0.39 -0.17 0.00 0.00 0.00 0.00 173.10 172.56 3ag4 s ILE 61 N 0.83 5.21 0.11 0.00 1.01 -1.26 -0.16 121.20 126.94 3ag4 s ILE 61 Ca -0.05 -1.69 -0.21 0.00 0.00 0.00 0.00 60.65 58.69 3ag4 s ILE 61 Cb -0.15 -4.45 -0.10 0.00 0.01 0.00 0.00 42.46 37.77 3ag4 s ILE 61 CO -0.01 -1.02 1.75 0.00 0.00 0.00 0.00 174.94 175.66 3ag4 s GLU 63 N -6.18 1.04 0.15 0.00 2.02 -1.26 -5.07 118.70 109.39 3ag4 s GLU 63 Ca -0.13 -1.08 -0.34 0.00 0.02 0.00 0.00 54.97 53.44 3ag4 s GLU 63 Cb 0.08 -1.22 -0.15 0.00 0.10 0.00 0.00 34.13 32.94 3ag4 s GLU 63 CO 0.68 0.28 1.36 -1.91 0.02 0.00 0.00 175.26 175.69 3ag4 n GLU 64 N 1.20 1.49 -0.02 1.61 2.13 -1.26 -1.77 120.64 124.02 3ag4 n GLU 64 Ca -0.20 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.16 3ag4 n GLU 64 Cb 0.54 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 30.07 3ag4 n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3ag4 n ASP 65 N 2.54 0.00 -4.55 4.31 10.43 -1.26 -5.00 116.55 123.02 3ag4 n ASP 65 Ca 0.16 0.00 -0.55 0.00 2.57 0.00 0.00 54.79 56.98 3ag4 n ASP 65 Cb 0.24 0.00 -0.07 0.00 1.84 0.00 0.00 41.12 43.14 3ag4 n ASP 65 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3ag4 n ASN 66 N 0.00 0.95 0.08 -2.24 4.13 -0.73 -4.87 115.26 112.59 3ag4 n ASN 66 Ca 0.00 1.14 0.12 0.00 1.68 0.00 0.00 54.58 57.51 3ag4 n ASN 66 Cb 0.00 -1.08 0.14 0.00 -1.54 0.00 0.00 39.78 37.30 3ag4 n ASN 66 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3ag4 h SER 67 N 3.87 0.00 -3.44 6.41 4.64 -1.94 -3.45 113.55 119.63 3ag4 h SER 67 Ca -0.49 -0.15 -0.60 0.00 -0.47 0.00 0.00 61.79 60.09 3ag4 h SER 67 Cb 1.37 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.36 3ag4 h SER 67 CO 0.72 0.07 0.09 -0.89 -0.87 0.00 0.00 176.83 175.96 3ag4 s THR 68 N -3.21 5.03 -0.12 2.95 2.01 -1.26 -5.05 115.64 115.98 3ag4 s THR 68 Ca 0.05 1.12 -0.09 0.00 0.31 0.00 0.00 61.69 63.08 3ag4 s THR 68 Cb 0.12 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 3ag4 s THR 68 CO 0.73 0.11 0.18 -0.69 -0.69 0.00 0.00 174.62 174.26 3ag4 s VAL 69 N 1.98 5.41 -0.25 3.82 1.01 -1.26 -4.66 120.40 126.45 3ag4 s VAL 69 Ca 0.27 0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.46 3ag4 s VAL 69 Cb -0.16 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 3ag4 s VAL 69 CO 0.10 0.56 0.16 -0.63 0.00 0.00 0.00 175.10 175.28 3ag4 s ILE 70 N -0.63 5.25 -0.00 2.22 -1.09 0.77 -4.85 121.20 122.86 3ag4 s ILE 70 Ca 0.15 0.14 0.05 0.00 -2.23 0.00 0.00 60.65 58.76 3ag4 s ILE 70 Cb -0.12 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 3ag4 s ILE 70 CO 0.04 0.32 -0.16 0.26 -1.23 0.00 0.00 174.94 174.18 3ag4 s TRP 71 N 1.25 2.64 -0.19 3.97 0.52 -1.26 0.89 118.94 126.75 3ag4 s TRP 71 Ca 0.07 -0.21 -0.28 0.00 0.02 0.00 0.00 56.10 55.71 3ag4 s TRP 71 Cb -0.14 -1.55 0.11 0.00 -1.15 0.00 0.00 33.47 30.74 3ag4 s TRP 71 CO 0.06 0.22 0.93 -0.59 0.02 0.00 0.00 176.95 177.58 3ag4 s PHE 72 N -0.83 -0.50 0.05 -1.98 -0.12 -0.26 -4.99 117.98 109.35 3ag4 s PHE 72 Ca 0.13 1.03 -0.31 0.00 -0.05 0.00 0.00 56.93 57.74 3ag4 s PHE 72 Cb -0.11 0.39 -0.07 0.00 -0.63 0.00 0.00 43.02 42.61 3ag4 s PHE 72 CO 0.03 -0.35 1.43 -1.58 -0.05 0.00 0.00 175.22 174.70 3ag4 s TRP 73 N -0.51 2.91 -0.23 3.49 0.52 -1.26 -0.25 118.94 123.61 3ag4 s TRP 73 Ca -0.01 0.79 -0.11 0.00 0.02 0.00 0.00 56.10 56.78 3ag4 s TRP 73 Cb -0.02 -3.71 -0.05 0.00 -1.15 0.00 0.00 33.47 28.54 3ag4 s TRP 73 CO 0.00 -2.63 0.20 -1.17 0.02 0.00 0.00 176.95 173.37 3ag4 s LEU 74 N 2.03 4.13 0.12 2.99 2.96 0.20 -4.89 118.68 126.22 3ag4 s LEU 74 Ca 0.65 0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.72 3ag4 s LEU 74 Cb -0.34 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.12 3ag4 s LEU 74 CO 0.28 0.05 0.33 -1.00 -1.32 0.00 0.00 176.35 174.70 3ag4 s HIS 75 N 1.04 3.49 0.32 5.38 3.76 -1.26 -0.72 115.29 127.29 3ag4 s HIS 75 Ca 0.09 0.47 -0.28 0.00 -0.15 0.00 0.00 55.06 55.20 3ag4 s HIS 75 Cb -0.13 -1.94 -0.13 0.00 1.11 0.00 0.00 32.58 31.48 3ag4 s HIS 75 CO 0.05 0.47 1.17 1.17 -0.85 0.00 0.00 174.74 176.75 3ag4 n LYS 76 N 0.12 1.79 0.00 1.40 4.81 -0.35 -4.43 118.16 121.50 3ag4 n LYS 76 Ca -0.03 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 3ag4 n LYS 76 Cb 0.52 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.44 3ag4 n LYS 76 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ag4 n GLY 77 N 1.00 0.29 3.76 3.14 0.00 -1.26 -5.04 105.19 107.08 3ag4 n GLY 77 Ca 0.07 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 3ag4 n GLY 77 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ag4 n GLU 78 N 0.00 2.42 -1.55 1.61 2.13 -1.26 -4.69 120.64 119.29 3ag4 n GLU 78 Ca 0.00 0.85 -0.40 0.00 0.66 0.00 0.00 57.16 58.27 3ag4 n GLU 78 Cb 0.00 -2.61 0.02 0.00 0.27 0.00 0.00 31.44 29.12 3ag4 n GLU 78 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ag4 n ALA 79 N 0.11 -0.40 -2.61 4.31 0.00 -1.26 -4.94 120.51 115.72 3ag4 n ALA 79 Ca 0.03 0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.39 3ag4 n ALA 79 Cb 0.40 -1.98 -0.07 0.00 0.00 0.00 0.00 19.45 17.80 3ag4 n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ag4 s GLN 80 N -2.04 2.36 0.11 0.00 -0.21 0.11 -4.89 119.66 115.09 3ag4 s GLN 80 Ca 0.66 -1.45 0.09 0.00 0.02 0.00 0.00 55.36 54.68 3ag4 s GLN 80 Cb -0.53 -2.19 -0.04 0.00 1.00 0.00 0.00 33.01 31.25 3ag4 s GLN 80 CO 0.55 0.27 -0.18 1.03 -2.12 0.00 0.00 175.29 174.84 3ag4 s ARG 81 N -3.75 1.79 0.12 2.91 0.52 -1.26 -0.35 118.95 118.93 3ag4 s ARG 81 Ca 0.34 -1.17 -0.33 0.00 -0.52 0.00 0.00 55.73 54.04 3ag4 s ARG 81 Cb -0.05 -2.11 -0.12 0.00 0.52 0.00 0.00 34.95 33.19 3ag4 s ARG 81 CO 0.21 0.48 1.71 0.00 0.02 0.00 0.00 175.30 177.73 3ag4 n PRO 83 N 4.56 0.01 -0.13 0.00 -0.02 -1.26 -0.50 135.00 137.67 3ag4 n PRO 83 Ca 0.18 0.27 -0.18 0.00 -2.02 0.00 0.00 63.50 61.75 3ag4 n PRO 83 Cb 0.32 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.18 3ag4 n PRO 83 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ag4 n SER 84 N -1.49 2.03 0.00 2.55 2.88 -1.26 -4.75 113.62 113.58 3ag4 n SER 84 Ca 0.03 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 3ag4 n SER 84 Cb 0.15 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 3ag4 n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ag4 n GLY 86 N 0.26 1.19 3.73 0.00 0.00 0.35 -4.92 105.19 105.80 3ag4 n GLY 86 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3ag4 n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ag4 s THR 87 N -3.35 2.15 0.01 2.61 -4.23 -1.26 -4.30 115.64 107.27 3ag4 s THR 87 Ca 0.00 0.09 -0.09 0.00 -1.18 0.00 0.00 61.69 60.51 3ag4 s THR 87 Cb 0.00 -3.00 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 3ag4 s THR 87 CO 0.00 -0.02 0.31 -1.00 -0.54 0.00 0.00 174.62 173.37 3ag4 s HIS 88 N -1.49 3.61 0.01 3.99 0.09 0.10 -0.53 115.29 121.07 3ag4 s HIS 88 Ca 0.81 0.70 0.03 0.00 -0.00 0.00 0.00 55.06 56.60 3ag4 s HIS 88 Cb -0.36 -2.08 -0.01 0.00 -0.00 0.00 0.00 32.58 30.13 3ag4 s HIS 88 CO 0.39 0.61 -0.10 0.71 -0.00 0.00 0.00 174.74 176.35 3ag4 s TYR 89 N -1.25 0.92 -0.10 1.40 2.02 0.53 -0.39 117.35 120.48 3ag4 s TYR 89 Ca 0.26 -0.23 -0.00 0.00 -0.37 0.00 0.00 57.07 56.73 3ag4 s TYR 89 Cb -0.14 -0.58 0.02 0.00 -0.40 0.00 0.00 41.96 40.87 3ag4 s TYR 89 CO 0.14 -0.01 -0.06 0.21 -1.57 0.00 0.00 175.55 174.26 3ag4 s LYS 90 N -0.51 1.36 0.14 -0.62 2.20 0.11 0.03 119.74 122.46 3ag4 s LYS 90 Ca 0.02 -0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.14 3ag4 s LYS 90 Cb -0.05 -1.46 -0.08 0.00 -1.51 0.00 0.00 37.83 34.74 3ag4 s LYS 90 CO 0.00 -0.26 1.28 -1.17 -0.36 0.00 0.00 175.35 174.84 3ag4 s LEU 91 N 1.70 4.40 -0.58 5.43 2.96 -1.26 -1.04 118.68 130.30 3ag4 s LEU 91 Ca 0.04 2.25 0.04 0.00 -0.22 0.00 0.00 54.13 56.24 3ag4 s LEU 91 Cb -0.13 -3.60 0.14 0.00 0.50 0.00 0.00 46.19 43.11 3ag4 s LEU 91 CO -0.07 -0.51 0.34 0.68 -1.32 0.00 0.00 176.35 175.46 3ag4 s VAL 92 N 0.58 2.60 -0.39 1.68 -7.23 -0.25 -4.69 120.40 112.69 3ag4 s VAL 92 Ca 0.58 -3.60 -0.40 0.00 -1.81 0.00 0.00 61.98 56.76 3ag4 s VAL 92 Cb -0.34 -2.77 -0.15 0.00 0.56 0.00 0.00 36.38 33.68 3ag4 s VAL 92 CO 0.33 -0.88 2.04 -2.65 -0.31 0.00 0.00 175.10 173.64 3ag4 n PRO 93 N 2.74 0.66 0.00 4.82 -0.02 -1.26 -2.72 135.00 139.23 3ag4 n PRO 93 Ca 0.10 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3ag4 n PRO 93 Cb 0.33 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3ag4 n PRO 93 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3ag4 n HIS 94 N 7.74 0.00 0.00 6.00 -0.00 -0.16 -4.89 115.22 123.91 3ag4 n HIS 94 Ca 0.42 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.60 3ag4 n HIS 94 Cb 0.10 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.97 3ag4 n HIS 94 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 3ag4 n GLN 95 N -0.02 0.00 0.00 1.57 -0.06 -1.26 -4.94 117.38 112.66 3ag4 n GLN 95 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3ag4 n GLN 95 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3ag4 n GLN 95 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 3ag4 n LEU 96 N 0.00 0.00 -4.77 1.69 0.00 -1.26 -4.84 117.00 107.82 3ag4 n LEU 96 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 56.01 55.64 3ag4 n LEU 96 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 3ag4 n LEU 96 CO 0.00 0.00 0.02 0.00 0.00 0.00 0.00 177.39 177.41 3ag4 s ALA 97 N -1.00 3.64 -2.13 1.96 0.00 -1.26 -5.12 121.76 117.85 3ag4 s ALA 97 Ca 0.00 -0.38 0.31 0.00 0.00 0.00 0.00 51.96 51.89 3ag4 s ALA 97 Cb 0.00 -2.38 1.69 0.00 0.00 0.00 0.00 23.12 22.44 3ag4 s ALA 97 CO 0.00 0.25 2.11 0.72 0.00 0.00 0.00 175.76 178.83