#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ap4 n ASP 2 N 0.00 -5.64 -0.07 7.83 8.00 -1.26 -4.90 116.55 120.50 1ap4 n ASP 2 Ca 0.00 -0.72 -0.14 0.00 0.71 0.00 0.00 54.79 54.64 1ap4 n ASP 2 Cb 0.00 -2.64 -0.14 0.00 -0.02 0.00 0.00 41.12 38.31 1ap4 n ASP 2 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ap4 n ASP 3 N -2.37 1.07 -0.08 -2.24 8.00 -1.26 -4.15 116.55 115.52 1ap4 n ASP 3 Ca -0.23 0.08 -0.14 0.00 0.71 0.00 0.00 54.79 55.20 1ap4 n ASP 3 Cb 0.64 0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.73 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ap4 h ILE 4 N 0.01 0.01 0.23 0.53 2.04 -2.00 -1.64 117.51 116.69 1ap4 h ILE 4 Ca -0.48 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1ap4 h ILE 4 Cb 2.07 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 1ap4 h ILE 4 CO 0.02 0.00 -0.36 1.88 0.00 0.00 0.00 178.15 179.69 1ap4 h TYR 5 N -0.48 -0.99 -1.09 1.37 -1.99 -1.98 -1.42 116.97 110.39 1ap4 h TYR 5 Ca 0.06 0.02 0.39 0.00 2.00 0.00 0.00 58.73 61.19 1ap4 h TYR 5 Cb 0.63 0.40 -0.15 0.00 2.00 0.00 0.00 36.73 39.61 1ap4 h TYR 5 CO -0.66 -0.48 0.64 0.87 -0.00 0.00 0.00 178.16 178.53 1ap4 h LYS 6 N -0.66 0.13 -0.00 4.88 1.57 -1.59 1.19 116.57 122.09 1ap4 h LYS 6 Ca 0.00 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1ap4 h LYS 6 Cb 0.64 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1ap4 h LYS 6 CO -0.14 0.09 -0.82 0.00 -0.57 0.00 0.00 179.45 178.01 1ap4 h ALA 7 N 1.83 0.63 -0.80 3.86 0.00 -0.35 -3.20 119.26 121.23 1ap4 h ALA 7 Ca 0.80 -0.71 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ap4 h ALA 7 Cb 2.15 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.79 1ap4 h ALA 7 CO -0.61 0.93 0.52 0.00 0.00 0.00 0.00 179.25 180.10 1ap4 h ALA 8 N 1.10 1.51 0.00 0.00 0.00 0.23 -0.34 119.26 121.76 1ap4 h ALA 8 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ap4 h ALA 8 Cb 1.42 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ap4 h ALA 8 CO 0.12 0.41 -0.04 0.28 0.00 0.00 0.00 179.25 180.01 1ap4 h VAL 9 N 0.99 0.11 0.00 0.00 2.07 -1.48 -2.60 116.25 115.35 1ap4 h VAL 9 Ca 0.31 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1ap4 h VAL 9 Cb 0.03 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1ap4 h VAL 9 CO -0.09 0.04 -0.24 1.21 0.02 0.00 0.00 177.57 178.51 1ap4 n GLU 10 N -3.16 0.23 0.13 1.57 0.00 -0.16 -3.45 120.64 115.81 1ap4 n GLU 10 Ca 0.01 0.14 0.13 0.00 0.00 0.00 0.00 57.16 57.43 1ap4 n GLU 10 Cb 0.34 -1.72 0.38 0.00 0.00 0.00 0.00 31.44 30.44 1ap4 n GLU 10 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1ap4 h GLN 11 N 0.00 0.00 -6.59 5.31 1.08 -1.19 -3.45 115.11 110.27 1ap4 h GLN 11 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 1ap4 h GLN 11 Cb 0.71 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.16 1ap4 h GLN 11 CO 0.00 0.00 0.65 -0.51 -0.95 0.00 0.00 178.83 178.02 1ap4 s LEU 12 N -4.85 4.39 0.67 1.46 1.43 -1.22 -5.00 118.68 115.55 1ap4 s LEU 12 Ca 0.09 2.27 -0.12 0.00 -1.03 0.00 0.00 54.13 55.34 1ap4 s LEU 12 Cb 0.11 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.73 1ap4 s LEU 12 CO 0.59 -0.54 1.06 0.42 0.23 0.00 0.00 176.35 178.11 1ap4 s THR 13 N 0.65 3.89 0.66 5.49 -4.23 -1.26 -4.80 115.64 116.04 1ap4 s THR 13 Ca 0.60 0.71 0.29 0.00 -1.18 0.00 0.00 61.69 62.10 1ap4 s THR 13 Cb -0.35 -3.35 0.29 0.00 1.34 0.00 0.00 72.50 70.43 1ap4 s THR 13 CO 0.33 -0.71 1.88 1.05 -0.54 0.00 0.00 174.62 176.63 1ap4 h GLU 14 N -0.36 0.00 -0.04 3.99 4.11 -1.97 0.14 114.58 120.45 1ap4 h GLU 14 Ca -0.45 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.82 1ap4 h GLU 14 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1ap4 h GLU 14 CO 0.56 0.00 -0.70 1.05 0.07 0.00 0.00 179.01 179.99 1ap4 h GLU 15 N 0.00 0.21 0.03 1.06 4.11 -1.99 -2.59 114.58 115.42 1ap4 h GLU 15 Ca 0.01 -0.17 -0.00 0.00 0.07 0.00 0.00 59.36 59.27 1ap4 h GLU 15 Cb 0.76 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1ap4 h GLU 15 CO -0.00 0.83 -0.02 1.96 0.07 0.00 0.00 179.01 181.85 1ap4 h GLN 16 N 0.14 -0.04 -0.80 1.06 4.20 -1.05 -3.18 115.11 115.44 1ap4 h GLN 16 Ca -0.02 0.00 0.23 0.00 0.06 0.00 0.00 58.65 58.93 1ap4 h GLN 16 Cb 1.25 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.01 1ap4 h GLN 16 CO 0.11 -0.03 0.68 1.57 -0.67 0.00 0.00 178.83 180.48 1ap4 h LYS 17 N -0.46 0.00 -0.30 1.46 2.10 -1.69 0.53 116.57 118.22 1ap4 h LYS 17 Ca -0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.59 1ap4 h LYS 17 Cb 0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 1ap4 h LYS 17 CO 0.01 0.00 -0.01 -0.91 -2.00 0.00 0.00 179.45 176.53 1ap4 h ASN 18 N 0.00 0.52 -0.62 7.07 4.21 -1.55 -2.90 115.58 122.31 1ap4 h ASN 18 Ca 0.38 -0.32 -0.05 0.00 1.21 0.00 0.00 56.30 57.52 1ap4 h ASN 18 Cb 1.73 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 38.76 1ap4 h ASN 18 CO -0.00 0.72 0.19 -0.33 -1.29 0.00 0.00 177.43 176.72 1ap4 h GLU 19 N 0.32 1.00 -0.22 0.81 5.08 -0.87 -2.30 114.58 118.39 1ap4 h GLU 19 Ca 0.08 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1ap4 h GLU 19 Cb 0.46 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1ap4 h GLU 19 CO 0.02 0.86 0.14 0.74 -1.00 0.00 0.00 179.01 179.77 1ap4 h PHE 20 N 0.96 0.29 -0.35 4.33 0.04 -1.38 -2.22 116.94 118.61 1ap4 h PHE 20 Ca 0.21 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 1ap4 h PHE 20 Cb 0.29 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 1ap4 h PHE 20 CO 0.02 0.19 0.13 -0.22 -0.60 0.00 0.00 178.31 177.83 1ap4 h LYS 21 N 0.31 0.52 -0.38 1.51 3.64 -1.22 0.34 116.57 121.29 1ap4 h LYS 21 Ca 0.08 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1ap4 h LYS 21 Cb -0.02 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1ap4 h LYS 21 CO -0.02 0.53 0.16 0.00 -2.27 0.00 0.00 179.45 177.85 1ap4 h ALA 22 N 0.97 0.49 -0.31 5.00 0.00 -1.39 -2.77 119.26 121.25 1ap4 h ALA 22 Ca 0.11 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1ap4 h ALA 22 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ap4 h ALA 22 CO -0.01 0.08 -0.32 0.00 0.00 0.00 0.00 179.25 179.01 1ap4 h ALA 23 N 1.01 0.87 -0.96 0.00 0.00 -1.30 -2.94 119.26 115.92 1ap4 h ALA 23 Ca 0.13 -0.40 0.20 0.00 0.00 0.00 0.00 54.91 54.83 1ap4 h ALA 23 Cb 0.17 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.72 1ap4 h ALA 23 CO -0.01 0.63 0.55 0.35 0.00 0.00 0.00 179.25 180.77 1ap4 h PHE 24 N 0.56 0.96 0.00 0.00 3.04 -0.04 0.91 116.94 122.38 1ap4 h PHE 24 Ca 0.06 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1ap4 h PHE 24 Cb 0.82 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.05 1ap4 h PHE 24 CO 0.04 0.17 0.00 -0.25 -2.02 0.00 0.00 178.31 176.24 1ap4 n ASP 25 N -4.84 0.53 0.08 0.41 8.00 -1.11 -2.44 116.55 117.19 1ap4 n ASP 25 Ca 0.23 0.62 -0.15 0.00 0.71 0.00 0.00 54.79 56.21 1ap4 n ASP 25 Cb 0.59 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 40.81 1ap4 n ASP 25 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ap4 h ILE 26 N 0.00 1.40 0.10 0.53 2.04 0.82 -3.26 117.51 119.13 1ap4 h ILE 26 Ca 0.00 -3.02 -0.27 0.00 1.00 0.00 0.00 64.86 62.56 1ap4 h ILE 26 Cb 0.37 2.85 -0.00 0.00 -0.74 0.00 0.00 36.82 39.30 1ap4 h ILE 26 CO 0.00 0.87 -1.28 -0.26 0.00 0.00 0.00 178.15 177.48 1ap4 h PHE 27 N 0.06 0.39 -0.30 1.37 0.04 -1.28 -3.25 116.94 113.97 1ap4 h PHE 27 Ca -0.15 -0.29 -0.12 0.00 2.80 0.00 0.00 57.97 60.20 1ap4 h PHE 27 Cb 1.96 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 40.02 1ap4 h PHE 27 CO 0.05 1.25 0.16 1.33 -0.60 0.00 0.00 178.31 180.50 1ap4 n VAL 28 N -3.47 1.51 -1.51 -0.55 0.24 -1.02 -4.83 118.33 108.70 1ap4 n VAL 28 Ca -0.09 -0.60 -0.28 0.00 -2.04 0.00 0.00 64.34 61.33 1ap4 n VAL 28 Cb 1.02 -0.70 -0.18 0.00 -1.47 0.00 0.00 33.84 32.51 1ap4 n VAL 28 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ap4 n LEU 29 N 0.02 -0.36 -3.49 1.34 7.99 -1.23 -0.30 117.00 120.98 1ap4 n LEU 29 Ca 0.17 -0.42 -0.18 0.00 -0.01 0.00 0.00 56.01 55.57 1ap4 n LEU 29 Cb 0.81 -0.83 0.08 0.00 -0.11 0.00 0.00 43.42 43.36 1ap4 n LEU 29 CO 0.18 -1.35 0.06 0.61 -1.51 0.00 0.00 177.39 175.38 1ap4 n GLY 30 N 5.98 -0.38 0.00 -0.72 0.00 -1.26 -4.99 105.19 103.81 1ap4 n GLY 30 Ca 0.63 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1ap4 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ap4 n ALA 31 N -4.12 0.00 0.07 4.61 0.00 0.59 -4.98 120.51 116.68 1ap4 n ALA 31 Ca -0.28 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 1ap4 n ALA 31 Cb 0.67 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.99 1ap4 n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ap4 h GLU 32 N 0.00 0.58 0.00 0.00 5.08 -1.90 -3.38 114.58 114.95 1ap4 h GLU 32 Ca 0.00 -0.74 -0.05 0.00 -1.00 0.00 0.00 59.36 57.57 1ap4 h GLU 32 Cb 0.00 0.24 -0.12 0.00 0.50 0.00 0.00 28.75 29.37 1ap4 h GLU 32 CO 0.00 1.32 -0.60 -0.40 -1.00 0.00 0.00 179.01 178.33 1ap4 n ASP 33 N -3.90 0.76 -1.78 1.42 5.75 -1.26 -4.98 116.55 112.56 1ap4 n ASP 33 Ca -0.13 -2.31 -0.10 0.00 -0.01 0.00 0.00 54.79 52.24 1ap4 n ASP 33 Cb 0.91 -0.29 0.03 0.00 -1.03 0.00 0.00 41.12 40.74 1ap4 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ap4 n GLY 34 N -0.13 0.28 3.47 6.12 0.00 -1.26 -5.04 105.19 108.63 1ap4 n GLY 34 Ca 0.06 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 1ap4 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ap4 s ILE 36 N -2.60 5.04 1.06 0.00 1.01 -0.73 -4.32 121.20 120.66 1ap4 s ILE 36 Ca 0.30 -1.60 -0.13 0.00 0.00 0.00 0.00 60.65 59.22 1ap4 s ILE 36 Cb -0.02 -4.55 0.22 0.00 0.01 0.00 0.00 42.46 38.11 1ap4 s ILE 36 CO 0.14 -1.19 1.08 -0.55 0.00 0.00 0.00 174.94 174.43 1ap4 s SER 37 N 3.20 2.10 0.16 3.58 0.15 -1.26 0.69 113.70 122.31 1ap4 s SER 37 Ca 0.18 1.18 0.25 0.00 0.70 0.00 0.00 55.95 58.26 1ap4 s SER 37 Cb -0.15 -1.85 0.92 0.00 -1.71 0.00 0.00 66.02 63.22 1ap4 s SER 37 CO -0.02 -3.46 1.75 1.07 1.20 0.00 0.00 173.24 173.78 1ap4 n THR 38 N -4.39 0.60 0.23 6.45 5.66 -1.26 -2.71 114.28 118.87 1ap4 n THR 38 Ca 0.05 -0.02 0.08 0.00 -3.05 0.00 0.00 64.05 61.11 1ap4 n THR 38 Cb 0.57 -0.79 0.56 0.00 -1.55 0.00 0.00 70.33 69.13 1ap4 n THR 38 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1ap4 h LYS 39 N 0.00 0.00 0.00 1.09 1.57 -1.93 -3.06 116.57 114.24 1ap4 h LYS 39 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1ap4 h LYS 39 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1ap4 h LYS 39 CO 0.00 0.19 -1.76 0.39 -0.57 0.00 0.00 179.45 177.71 1ap4 n GLU 40 N -4.00 0.85 -0.32 3.15 4.71 -1.17 -4.59 120.64 119.25 1ap4 n GLU 40 Ca -0.02 -0.10 -0.02 0.00 -0.01 0.00 0.00 57.16 57.01 1ap4 n GLU 40 Cb 0.28 -1.35 0.03 0.00 -1.01 0.00 0.00 31.44 29.38 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1ap4 h LEU 41 N 0.00 -1.35 -0.60 -4.62 7.12 -1.40 0.41 115.31 114.87 1ap4 h LEU 41 Ca -0.11 0.28 0.06 0.00 0.13 0.00 0.00 57.88 58.24 1ap4 h LEU 41 Cb 1.03 0.70 -0.09 0.00 -0.53 0.00 0.00 40.66 41.77 1ap4 h LEU 41 CO 0.01 -0.29 -0.55 1.23 -0.13 0.00 0.00 178.44 178.70 1ap4 h GLY 42 N -0.05 -1.00 1.38 3.75 0.00 -1.81 0.70 103.07 106.04 1ap4 h GLY 42 Ca 0.31 0.76 -0.03 0.00 0.00 0.00 0.00 47.33 48.37 1ap4 h GLY 42 CO -0.89 -0.09 0.24 0.50 0.00 0.00 0.00 176.54 176.30 1ap4 h LYS 43 N -0.25 0.80 -0.11 4.80 1.57 -1.29 -2.72 116.57 119.37 1ap4 h LYS 43 Ca 0.10 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ap4 h LYS 43 Cb 0.51 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1ap4 h LYS 43 CO -0.70 0.64 0.07 0.28 -0.57 0.00 0.00 179.45 179.17 1ap4 h VAL 44 N 0.79 1.07 -0.77 0.50 2.07 0.36 -1.42 116.25 118.85 1ap4 h VAL 44 Ca 0.19 -0.18 0.10 0.00 0.82 0.00 0.00 66.70 67.64 1ap4 h VAL 44 Cb 0.13 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1ap4 h VAL 44 CO -0.02 0.06 0.51 0.24 0.02 0.00 0.00 177.57 178.38 1ap4 h MET 45 N 0.11 0.65 -0.41 1.57 2.86 0.49 -1.01 114.93 119.19 1ap4 h MET 45 Ca 0.04 -0.04 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 1ap4 h MET 45 Cb 0.04 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1ap4 h MET 45 CO -0.01 0.43 -0.24 0.00 1.06 0.00 0.00 176.91 178.16 1ap4 h ARG 46 N 0.67 0.89 0.29 1.72 3.08 -1.15 0.95 114.38 120.83 1ap4 h ARG 46 Ca 0.36 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1ap4 h ARG 46 Cb 0.49 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1ap4 h ARG 46 CO -0.13 1.05 -0.37 0.52 -1.07 0.00 0.00 179.97 179.97 1ap4 h MET 47 N 0.71 -0.68 0.68 0.04 2.86 -0.13 -3.06 114.93 115.35 1ap4 h MET 47 Ca 0.09 0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1ap4 h MET 47 Cb 0.81 0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.62 1ap4 h MET 47 CO 0.07 -0.45 -0.42 -0.07 1.06 0.00 0.00 176.91 177.10 1ap4 h LEU 48 N -0.70 -1.04 0.00 1.22 3.38 -1.48 -3.46 115.31 113.22 1ap4 h LEU 48 Ca -0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ap4 h LEU 48 Cb 0.66 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1ap4 h LEU 48 CO -0.11 -0.65 0.00 0.61 0.09 0.00 0.00 178.44 178.38 1ap4 n GLY 49 N -1.55 0.00 3.74 0.83 0.00 -0.76 -5.13 105.19 102.32 1ap4 n GLY 49 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1ap4 n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ap4 s GLN 50 N 0.00 2.15 -0.41 1.61 1.11 0.32 -4.98 119.66 119.47 1ap4 s GLN 50 Ca 0.00 -2.17 0.10 0.00 0.01 0.00 0.00 55.36 53.29 1ap4 s GLN 50 Cb 0.00 -1.72 0.36 0.00 -1.01 0.00 0.00 33.01 30.63 1ap4 s GLN 50 CO 0.00 -0.28 1.01 0.27 0.01 0.00 0.00 175.29 176.30 1ap4 n ASN 51 N -1.26 -0.82 -4.75 5.90 6.94 -1.26 -3.81 115.26 116.20 1ap4 n ASN 51 Ca -0.10 -3.19 -0.29 0.00 -0.02 0.00 0.00 54.58 50.98 1ap4 n ASN 51 Cb 0.66 0.69 0.15 0.00 -2.36 0.00 0.00 39.78 38.92 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1ap4 s PRO 52 N -1.01 0.96 0.50 -0.53 0.04 -1.26 -5.07 135.00 128.63 1ap4 s PRO 52 Ca 0.28 0.32 0.06 0.00 0.04 0.00 0.00 61.00 61.70 1ap4 s PRO 52 Cb 0.34 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 33.10 1ap4 s PRO 52 CO -0.06 -2.33 0.69 0.95 0.04 0.00 0.00 177.00 176.29 1ap4 s THR 53 N -3.22 2.74 0.17 1.26 -4.23 -1.26 -4.98 115.64 106.12 1ap4 s THR 53 Ca 0.64 -0.88 -0.03 0.00 -1.18 0.00 0.00 61.69 60.25 1ap4 s THR 53 Cb -0.15 -2.86 -0.10 0.00 1.34 0.00 0.00 72.50 70.73 1ap4 s THR 53 CO 0.54 0.00 1.43 1.55 -0.54 0.00 0.00 174.62 177.60 1ap4 h PRO 54 N 0.34 0.46 0.02 3.99 0.13 -2.00 -2.04 132.00 132.90 1ap4 h PRO 54 Ca -0.39 -0.36 -0.00 0.00 -0.87 0.00 0.00 66.00 64.38 1ap4 h PRO 54 Cb 1.29 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1ap4 h PRO 54 CO 0.46 0.99 -0.01 0.93 -0.23 0.00 0.00 178.00 180.15 1ap4 h GLU 55 N 0.32 -0.03 -0.31 0.86 5.08 -2.02 -3.18 114.58 115.30 1ap4 h GLU 55 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1ap4 h GLU 55 Cb 1.28 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1ap4 h GLU 55 CO 0.13 0.53 0.09 0.93 -1.00 0.00 0.00 179.01 179.69 1ap4 h GLU 56 N -0.61 0.44 -0.31 2.33 4.39 -1.97 -2.98 114.58 115.86 1ap4 h GLU 56 Ca -0.00 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.67 1ap4 h GLU 56 Cb 0.57 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 29.09 1ap4 h GLU 56 CO 0.00 0.40 -0.30 1.25 -1.16 0.00 0.00 179.01 179.20 1ap4 h LEU 57 N 0.44 -1.04 -0.47 1.33 5.85 -1.34 1.75 115.31 121.82 1ap4 h LEU 57 Ca 0.11 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1ap4 h LEU 57 Cb 0.15 0.44 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1ap4 h LEU 57 CO -0.01 -0.19 0.28 -0.61 -0.34 0.00 0.00 178.44 177.58 1ap4 h GLN 58 N -0.15 0.55 0.00 1.25 -0.00 -1.65 -0.49 115.11 114.62 1ap4 h GLN 58 Ca 0.05 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1ap4 h GLN 58 Cb 0.28 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 27.64 1ap4 h GLN 58 CO -0.37 0.36 -0.01 0.93 0.00 0.00 0.00 178.83 179.74 1ap4 h GLU 59 N 0.56 0.00 0.05 1.69 5.08 -1.03 -1.04 114.58 119.89 1ap4 h GLU 59 Ca 0.19 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 1ap4 h GLU 59 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ap4 h GLU 59 CO -0.08 0.01 -0.55 1.98 -1.00 0.00 0.00 179.01 179.37 1ap4 h MET 60 N 0.00 0.10 0.00 2.33 4.05 0.42 -3.32 114.93 118.50 1ap4 h MET 60 Ca -0.00 -0.17 -0.04 0.00 -0.28 0.00 0.00 59.70 59.21 1ap4 h MET 60 Cb 0.21 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.06 1ap4 h MET 60 CO 0.00 1.08 -0.20 0.82 0.23 0.00 0.00 176.91 178.84 1ap4 h ILE 61 N -0.77 0.52 -0.06 1.77 2.04 -1.11 -2.50 117.51 117.39 1ap4 h ILE 61 Ca -0.12 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1ap4 h ILE 61 Cb 1.28 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1ap4 h ILE 61 CO 0.01 0.20 0.00 -0.67 0.00 0.00 0.00 178.15 177.69 1ap4 n ASP 62 N -3.39 0.32 -0.05 1.72 2.03 -0.41 -2.46 116.55 114.31 1ap4 n ASP 62 Ca -0.00 -1.95 -0.04 0.00 0.52 0.00 0.00 54.79 53.33 1ap4 n ASP 62 Cb 0.41 -0.04 -0.09 0.00 -0.72 0.00 0.00 41.12 40.68 1ap4 n ASP 62 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ap4 n GLU 63 N -0.35 1.96 -0.09 -0.67 1.02 -0.94 -4.72 120.64 116.85 1ap4 n GLU 63 Ca 0.03 -0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.05 1ap4 n GLU 63 Cb 0.06 -1.28 -0.11 0.00 -0.02 0.00 0.00 31.44 30.09 1ap4 n GLU 63 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1ap4 n VAL 64 N -2.33 1.10 -1.51 2.62 3.14 -1.22 -4.91 118.33 115.22 1ap4 n VAL 64 Ca -0.16 -0.56 -0.40 0.00 -2.96 0.00 0.00 64.34 60.26 1ap4 n VAL 64 Cb 0.78 -0.86 -0.14 0.00 -1.06 0.00 0.00 33.84 32.56 1ap4 n VAL 64 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1ap4 n ASP 65 N -2.80 0.50 0.00 6.55 2.03 -1.03 -4.69 116.55 117.12 1ap4 n ASP 65 Ca -0.30 0.09 0.11 0.00 0.52 0.00 0.00 54.79 55.22 1ap4 n ASP 65 Cb 0.95 -0.99 0.68 0.00 -0.72 0.00 0.00 41.12 41.03 1ap4 n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ap4 n GLU 66 N 8.53 0.96 0.00 -0.67 1.02 -1.26 -3.09 120.64 126.13 1ap4 n GLU 66 Ca 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.77 1ap4 n GLU 66 Cb 0.09 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ap4 n ASP 67 N -0.87 0.96 -4.01 1.62 5.75 -1.26 -4.99 116.55 113.74 1ap4 n ASP 67 Ca 0.17 -1.19 -0.33 0.00 -0.01 0.00 0.00 54.79 53.44 1ap4 n ASP 67 Cb 0.08 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.14 1ap4 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ap4 n GLY 68 N -0.09 -0.45 0.11 6.12 0.00 -1.18 -4.80 105.19 104.90 1ap4 n GLY 68 Ca 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1ap4 n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ap4 h SER 69 N -1.18 0.25 0.00 1.61 4.64 -1.94 -3.47 113.55 113.45 1ap4 h SER 69 Ca -0.52 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 1ap4 h SER 69 Cb 1.34 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1ap4 h SER 69 CO 0.71 1.10 0.00 0.61 -0.87 0.00 0.00 176.83 178.37 1ap4 n GLY 70 N 1.13 1.39 3.67 -0.77 0.00 -1.26 -5.08 105.19 104.27 1ap4 n GLY 70 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 1ap4 n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ap4 s THR 71 N -1.62 2.71 -0.32 2.61 -4.23 -1.26 -4.12 115.64 109.40 1ap4 s THR 71 Ca 0.00 -1.87 -0.14 0.00 -1.18 0.00 0.00 61.69 58.50 1ap4 s THR 71 Cb 0.00 -2.87 -0.02 0.00 1.34 0.00 0.00 72.50 70.95 1ap4 s THR 71 CO 0.00 -0.17 0.32 -0.69 -0.54 0.00 0.00 174.62 173.54 1ap4 s VAL 72 N -2.50 5.21 0.50 2.29 1.01 0.22 -4.85 120.40 122.27 1ap4 s VAL 72 Ca 0.36 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1ap4 s VAL 72 Cb -0.00 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1ap4 s VAL 72 CO 0.21 0.01 0.79 -0.62 0.00 0.00 0.00 175.10 175.49 1ap4 s ASP 73 N 1.72 5.98 0.11 3.32 -1.08 -1.26 -1.78 116.67 123.68 1ap4 s ASP 73 Ca 0.11 0.72 -0.25 0.00 -0.52 0.00 0.00 52.55 52.61 1ap4 s ASP 73 Cb -0.16 -1.94 -0.07 0.00 -1.46 0.00 0.00 42.92 39.29 1ap4 s ASP 73 CO 0.11 -0.73 1.41 0.15 0.52 0.00 0.00 175.17 176.63 1ap4 h PHE 74 N 0.16 -1.36 -0.81 -5.34 3.04 -1.98 2.15 116.94 112.80 1ap4 h PHE 74 Ca -0.46 0.08 0.13 0.00 3.98 0.00 0.00 57.97 61.69 1ap4 h PHE 74 Cb 1.23 0.66 -0.09 0.00 2.56 0.00 0.00 35.95 40.31 1ap4 h PHE 74 CO 0.52 -0.34 0.42 0.38 -2.02 0.00 0.00 178.31 177.27 1ap4 h ASP 75 N -0.18 0.53 0.17 0.41 2.03 -2.01 -2.02 116.42 115.34 1ap4 h ASP 75 Ca 0.08 0.08 -0.01 0.00 -0.73 0.00 0.00 57.03 56.45 1ap4 h ASP 75 Cb 0.40 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.89 1ap4 h ASP 75 CO -0.56 0.25 -0.08 -0.33 -1.03 0.00 0.00 179.24 177.49 1ap4 h GLU 76 N 0.64 -0.22 -0.85 4.15 5.08 -1.12 -3.26 114.58 119.00 1ap4 h GLU 76 Ca 0.43 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.97 1ap4 h GLU 76 Cb 0.54 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 29.68 1ap4 h GLU 76 CO -0.33 0.20 -0.20 0.35 -1.00 0.00 0.00 179.01 178.04 1ap4 h PHE 77 N -0.78 -0.43 -0.07 4.33 3.04 0.37 -1.61 116.94 121.79 1ap4 h PHE 77 Ca -0.02 0.08 0.01 0.00 3.98 0.00 0.00 57.97 62.02 1ap4 h PHE 77 Cb 0.52 0.32 -0.02 0.00 2.56 0.00 0.00 35.95 39.33 1ap4 h PHE 77 CO 0.07 -0.36 -0.20 -0.07 -2.02 0.00 0.00 178.31 175.73 1ap4 h LEU 78 N 0.00 -0.64 -1.73 0.59 3.38 -1.42 0.42 115.31 115.91 1ap4 h LEU 78 Ca 0.41 0.08 0.24 0.00 0.09 0.00 0.00 57.88 58.70 1ap4 h LEU 78 Cb 0.64 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1ap4 h LEU 78 CO -0.87 -0.17 0.79 0.58 0.09 0.00 0.00 178.44 178.86 1ap4 h VAL 79 N -0.20 0.26 -0.07 1.22 2.07 -1.38 0.70 116.25 118.86 1ap4 h VAL 79 Ca 0.02 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.31 1ap4 h VAL 79 Cb 0.24 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1ap4 h VAL 79 CO -0.17 0.00 -0.86 -0.03 0.02 0.00 0.00 177.57 176.52 1ap4 h MET 80 N 0.00 0.62 0.67 1.57 4.05 0.43 -2.79 114.93 119.48 1ap4 h MET 80 Ca 0.39 -0.57 -0.03 0.00 -0.28 0.00 0.00 59.70 59.20 1ap4 h MET 80 Cb 1.97 0.14 0.01 0.00 -0.80 0.00 0.00 31.60 32.92 1ap4 h MET 80 CO -0.00 1.19 -0.32 0.52 0.23 0.00 0.00 176.91 178.53 1ap4 h MET 81 N 0.40 -0.86 -0.82 0.39 2.07 0.24 -2.79 114.93 113.56 1ap4 h MET 81 Ca -0.07 0.06 0.24 0.00 -2.07 0.00 0.00 59.70 57.85 1ap4 h MET 81 Cb 1.49 0.20 -0.03 0.00 -1.87 0.00 0.00 31.60 31.38 1ap4 h MET 81 CO 0.17 -0.55 0.63 -0.24 1.07 0.00 0.00 176.91 177.98 1ap4 h VAL 82 N -1.19 0.50 0.69 -2.22 3.04 -1.54 -1.54 116.25 113.98 1ap4 h VAL 82 Ca -0.09 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.56 1ap4 h VAL 82 Cb 0.71 0.55 0.01 0.00 -2.01 0.00 0.00 31.29 30.54 1ap4 h VAL 82 CO 0.15 0.00 -0.33 0.03 -1.01 0.00 0.00 177.57 176.41 1ap4 h ARG 83 N 0.00 -0.89 0.13 4.17 3.08 -1.23 1.43 114.38 121.07 1ap4 h ARG 83 Ca 0.39 0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.51 1ap4 h ARG 83 Cb 1.64 0.20 -0.05 0.00 0.08 0.00 0.00 29.97 31.85 1ap4 h ARG 83 CO -0.00 -0.57 -0.48 0.00 -1.07 0.00 0.00 179.97 177.85 1ap4 n MET 85 N -5.48 0.21 0.00 0.00 0.00 -1.08 -4.88 117.12 105.89 1ap4 n MET 85 Ca -0.08 0.11 0.00 0.00 0.00 0.00 0.00 57.70 57.73 1ap4 n MET 85 Cb 0.40 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.12 1ap4 n MET 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1ap4 n LYS 86 N -1.34 0.00 -3.15 3.17 5.02 0.49 -4.01 118.16 118.33 1ap4 n LYS 86 Ca 0.08 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.41 1ap4 n LYS 86 Cb 0.18 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.19 1ap4 n LYS 86 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ap4 s ASP 87 N -4.00 -1.46 0.76 4.39 -1.08 -1.26 -4.65 116.67 109.38 1ap4 s ASP 87 Ca 0.00 0.56 0.00 0.00 -0.52 0.00 0.00 52.55 52.59 1ap4 s ASP 87 Cb 0.00 2.08 0.00 0.00 -1.46 0.00 0.00 42.92 43.54 1ap4 s ASP 87 CO 0.00 -0.27 0.00 -0.67 0.52 0.00 0.00 175.17 174.75 1ap4 n ASP 88 N 5.42 0.00 0.00 -0.34 -0.08 -1.26 -5.25 116.55 115.05 1ap4 n ASP 88 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 1ap4 n ASP 88 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12