#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ap4 s ASP 2 N 0.00 -0.35 0.00 7.83 -1.08 -1.26 -5.06 116.67 116.75 1ap4 s ASP 2 Ca 0.00 0.03 0.00 0.00 -0.52 0.00 0.00 52.55 52.06 1ap4 s ASP 2 Cb 0.00 1.17 0.00 0.00 -1.46 0.00 0.00 42.92 42.63 1ap4 s ASP 2 CO 0.00 -0.06 0.00 0.47 0.52 0.00 0.00 175.17 176.10 1ap4 n ASP 3 N 5.00 1.18 -0.55 -0.34 8.00 -1.26 -4.42 116.55 124.16 1ap4 n ASP 3 Ca 0.09 0.00 0.45 0.00 0.71 0.00 0.00 54.79 56.04 1ap4 n ASP 3 Cb 0.58 0.00 0.77 0.00 -0.02 0.00 0.00 41.12 42.45 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1ap4 h ILE 4 N 0.00 0.15 0.09 0.53 3.07 -2.01 0.23 117.51 119.57 1ap4 h ILE 4 Ca 0.00 -0.01 -0.35 0.00 1.55 0.00 0.00 64.86 66.05 1ap4 h ILE 4 Cb 0.59 0.12 -0.03 0.00 -0.27 0.00 0.00 36.82 37.23 1ap4 h ILE 4 CO 0.00 0.00 -1.94 -1.22 -1.05 0.00 0.00 178.15 173.94 1ap4 n TYR 5 N -4.16 1.07 0.10 0.16 4.02 -1.26 -3.74 117.16 113.34 1ap4 n TYR 5 Ca 0.38 0.26 0.20 0.00 -0.01 0.00 0.00 57.90 58.73 1ap4 n TYR 5 Cb 1.68 -1.13 0.69 0.00 -0.02 0.00 0.00 39.34 40.55 1ap4 n TYR 5 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1ap4 h LYS 6 N -0.14 0.00 0.00 -0.72 1.79 -0.79 0.88 116.57 117.59 1ap4 h LYS 6 Ca -0.44 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 57.91 1ap4 h LYS 6 Cb 1.89 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.52 1ap4 h LYS 6 CO 0.01 0.00 -1.01 0.00 -1.08 0.00 0.00 179.45 177.37 1ap4 h ALA 7 N 1.27 0.65 -0.06 3.86 0.00 -1.46 -3.16 119.26 120.36 1ap4 h ALA 7 Ca 0.20 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 1ap4 h ALA 7 Cb 1.32 0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.23 1ap4 h ALA 7 CO -0.00 0.68 -0.40 0.00 0.00 0.00 0.00 179.25 179.53 1ap4 h ALA 8 N 1.53 0.13 0.00 0.00 0.00 0.68 -2.36 119.26 119.25 1ap4 h ALA 8 Ca -0.08 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.27 1ap4 h ALA 8 Cb 1.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1ap4 h ALA 8 CO 0.05 0.25 -0.37 0.28 0.00 0.00 0.00 179.25 179.46 1ap4 h VAL 9 N -0.11 1.19 0.00 0.00 2.07 -1.53 -2.62 116.25 115.26 1ap4 h VAL 9 Ca -0.03 -1.28 -0.13 0.00 0.82 0.00 0.00 66.70 66.08 1ap4 h VAL 9 Cb 1.06 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 1ap4 h VAL 9 CO 0.08 0.36 -0.62 -0.33 0.02 0.00 0.00 177.57 177.08 1ap4 h GLU 10 N 0.00 0.00 -0.17 1.57 4.39 -1.53 -3.12 114.58 115.72 1ap4 h GLU 10 Ca -0.00 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 1ap4 h GLU 10 Cb 0.67 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 1ap4 h GLU 10 CO 0.05 0.62 0.16 1.96 -1.16 0.00 0.00 179.01 180.63 1ap4 h GLN 11 N 0.00 0.00 -6.86 2.33 7.50 -1.02 -3.43 115.11 113.64 1ap4 h GLN 11 Ca -0.01 0.00 -0.50 0.00 0.50 0.00 0.00 58.65 58.65 1ap4 h GLN 11 Cb 1.29 0.00 0.22 0.00 0.05 0.00 0.00 27.48 29.04 1ap4 h GLN 11 CO 0.08 0.00 -0.55 1.28 -1.50 0.00 0.00 178.83 178.14 1ap4 n LEU 12 N -4.05 -0.49 -4.97 1.46 4.77 -1.18 -4.99 117.00 107.55 1ap4 n LEU 12 Ca 0.01 0.15 -0.21 0.00 -0.03 0.00 0.00 56.01 55.93 1ap4 n LEU 12 Cb 0.28 -1.18 0.01 0.00 -2.33 0.00 0.00 43.42 40.21 1ap4 n LEU 12 CO 0.30 -3.24 0.25 0.42 -1.33 0.00 0.00 177.39 173.80 1ap4 s THR 13 N -2.38 3.68 0.02 -5.08 -4.23 -1.26 -4.98 115.64 101.41 1ap4 s THR 13 Ca 0.59 -0.65 -0.23 0.00 -1.18 0.00 0.00 61.69 60.22 1ap4 s THR 13 Cb -0.19 -3.34 -0.17 0.00 1.34 0.00 0.00 72.50 70.14 1ap4 s THR 13 CO 0.66 -0.22 1.39 -0.33 -0.54 0.00 0.00 174.62 175.58 1ap4 h GLU 14 N 0.43 0.12 -1.37 3.99 5.08 -1.95 -2.38 114.58 118.51 1ap4 h GLU 14 Ca -0.45 -0.05 0.42 0.00 -1.00 0.00 0.00 59.36 58.28 1ap4 h GLU 14 Cb 1.26 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.40 1ap4 h GLU 14 CO 0.55 0.47 0.92 1.05 -1.00 0.00 0.00 179.01 181.00 1ap4 h GLU 15 N -0.23 0.10 0.00 2.33 4.11 -2.00 0.62 114.58 119.51 1ap4 h GLU 15 Ca 0.02 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 59.39 1ap4 h GLU 15 Cb 0.43 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1ap4 h GLU 15 CO 0.01 0.07 -0.29 0.37 0.07 0.00 0.00 179.01 179.23 1ap4 h GLN 16 N 0.11 0.00 0.00 1.06 4.15 -1.92 -3.27 115.11 115.23 1ap4 h GLN 16 Ca 0.77 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.19 1ap4 h GLN 16 Cb 2.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 30.25 1ap4 h GLN 16 CO -0.28 0.78 0.17 0.87 -1.93 0.00 0.00 178.83 178.44 1ap4 h LYS 17 N -1.00 0.00 0.18 1.69 6.56 -0.57 -1.15 116.57 122.28 1ap4 h LYS 17 Ca -0.07 0.00 -0.24 0.00 -1.06 0.00 0.00 60.65 59.28 1ap4 h LYS 17 Cb 0.87 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 32.56 1ap4 h LYS 17 CO -0.04 0.00 -1.07 -0.91 -2.06 0.00 0.00 179.45 175.37 1ap4 h ASN 18 N 0.00 0.60 0.46 0.86 2.35 -1.02 -3.25 115.58 115.57 1ap4 h ASN 18 Ca 0.00 -0.94 -0.16 0.00 -0.55 0.00 0.00 56.30 54.65 1ap4 h ASN 18 Cb 0.35 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1ap4 h ASN 18 CO 0.00 1.51 -0.71 -0.08 -1.65 0.00 0.00 177.43 176.51 1ap4 h GLU 19 N -0.19 0.21 0.00 0.81 4.81 -1.29 -3.01 114.58 115.92 1ap4 h GLU 19 Ca -0.19 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 1ap4 h GLU 19 Cb 1.83 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 31.24 1ap4 h GLU 19 CO 0.19 0.83 -0.07 0.74 -0.73 0.00 0.00 179.01 179.97 1ap4 h PHE 20 N 0.14 0.00 -0.02 0.92 -1.00 -1.51 -2.91 116.94 112.55 1ap4 h PHE 20 Ca -0.02 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.64 1ap4 h PHE 20 Cb 1.26 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.82 1ap4 h PHE 20 CO 0.02 0.07 -0.44 -0.22 -1.61 0.00 0.00 178.31 176.14 1ap4 h LYS 21 N 0.00 0.34 0.44 1.51 3.64 -1.56 -1.59 116.57 119.36 1ap4 h LYS 21 Ca -0.00 -0.33 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 1ap4 h LYS 21 Cb 0.35 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1ap4 h LYS 21 CO 0.01 1.01 -0.21 0.00 -2.27 0.00 0.00 179.45 177.99 1ap4 h ALA 22 N 0.34 -0.59 0.00 5.00 0.00 -1.58 -2.61 119.26 119.82 1ap4 h ALA 22 Ca -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1ap4 h ALA 22 Cb 1.14 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1ap4 h ALA 22 CO 0.09 -0.78 -0.15 0.00 0.00 0.00 0.00 179.25 178.41 1ap4 h ALA 23 N -0.17 1.52 -0.62 0.00 0.00 -1.64 -2.62 119.26 115.73 1ap4 h ALA 23 Ca -0.06 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1ap4 h ALA 23 Cb 0.51 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1ap4 h ALA 23 CO 0.10 0.19 0.34 0.35 0.00 0.00 0.00 179.25 180.22 1ap4 h PHE 24 N 0.00 0.62 0.00 0.00 3.04 -0.90 0.11 116.94 119.81 1ap4 h PHE 24 Ca -0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1ap4 h PHE 24 Cb 0.31 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.63 1ap4 h PHE 24 CO 0.00 0.30 0.00 -0.25 -2.02 0.00 0.00 178.31 176.34 1ap4 n ASP 25 N -4.81 0.27 0.17 0.41 8.00 -0.99 -2.44 116.55 117.15 1ap4 n ASP 25 Ca 0.07 0.56 0.10 0.00 0.71 0.00 0.00 54.79 56.23 1ap4 n ASP 25 Cb 0.16 -0.62 0.10 0.00 -0.02 0.00 0.00 41.12 40.74 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 0.14 -0.00 0.53 2.04 -0.78 -3.25 117.51 116.18 1ap4 h ILE 26 Ca 0.00 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.65 1ap4 h ILE 26 Cb 0.33 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 1ap4 h ILE 26 CO 0.00 0.08 -0.54 0.49 0.00 0.00 0.00 178.15 178.18 1ap4 n PHE 27 N -3.01 0.00 1.44 1.37 3.72 -1.02 -3.77 117.46 116.19 1ap4 n PHE 27 Ca 0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.56 1ap4 n PHE 27 Cb 0.58 -0.22 0.57 0.00 -0.94 0.00 0.00 39.48 39.47 1ap4 n PHE 27 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1ap4 n VAL 28 N -1.48 0.00 -1.53 -4.37 0.24 -1.23 -4.50 118.33 105.46 1ap4 n VAL 28 Ca 0.05 -0.10 -0.21 0.00 -2.04 0.00 0.00 64.34 62.05 1ap4 n VAL 28 Cb 0.33 0.07 -0.15 0.00 -1.47 0.00 0.00 33.84 32.63 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 -0.71 0.22 0.00 1.34 4.77 -1.25 0.16 117.00 121.53 1ap4 n LEU 29 Ca 0.15 -0.86 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1ap4 n LEU 29 Cb 0.29 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1ap4 n LEU 29 CO 0.23 -1.87 0.00 0.61 -1.33 0.00 0.00 177.39 175.03 1ap4 n GLY 30 N 6.13 1.72 0.67 -0.72 0.00 -1.26 -5.12 105.19 106.61 1ap4 n GLY 30 Ca 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 -0.85 -0.04 4.61 0.00 0.42 -4.99 120.51 119.65 1ap4 n ALA 31 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.12 1ap4 n ALA 31 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.39 1ap4 n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ap4 n GLU 32 N -1.92 0.21 -0.27 0.00 1.02 -1.26 -4.69 120.64 113.73 1ap4 n GLU 32 Ca 0.02 0.06 0.07 0.00 -0.02 0.00 0.00 57.16 57.30 1ap4 n GLU 32 Cb 0.10 -1.05 0.21 0.00 -0.02 0.00 0.00 31.44 30.67 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ap4 n ASP 33 N -3.00 3.34 -0.56 1.62 5.75 -1.26 -4.95 116.55 117.50 1ap4 n ASP 33 Ca -0.17 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.45 1ap4 n ASP 33 Cb 0.65 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 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 0.60 0.57 3.66 6.12 0.00 -1.26 -5.10 105.19 109.78 1ap4 n GLY 34 Ca 0.16 -0.32 -0.30 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 -3.01 3.50 0.96 0.00 1.01 -1.03 -3.77 121.20 118.86 1ap4 s ILE 36 Ca 0.13 -0.90 -0.12 0.00 0.00 0.00 0.00 60.65 59.75 1ap4 s ILE 36 Cb 0.02 -2.83 0.17 0.00 0.01 0.00 0.00 42.46 39.82 1ap4 s ILE 36 CO 0.08 0.08 1.10 -0.55 0.00 0.00 0.00 174.94 175.64 1ap4 s SER 37 N 1.41 2.96 0.35 3.58 0.15 -1.26 0.31 113.70 121.19 1ap4 s SER 37 Ca 0.01 1.21 0.16 0.00 0.70 0.00 0.00 55.95 58.03 1ap4 s SER 37 Cb -0.17 -1.87 0.59 0.00 -1.71 0.00 0.00 66.02 62.86 1ap4 s SER 37 CO -0.00 -2.93 1.70 0.71 1.20 0.00 0.00 173.24 173.92 1ap4 h THR 38 N -1.75 1.03 -0.53 6.45 1.35 -1.95 -2.39 112.91 115.11 1ap4 h THR 38 Ca -0.53 -1.67 -0.04 0.00 -0.55 0.00 0.00 66.41 63.63 1ap4 h THR 38 Cb 1.32 1.98 -0.03 0.00 -1.73 0.00 0.00 68.15 69.69 1ap4 h THR 38 CO 0.58 0.43 0.18 0.11 -0.25 0.00 0.00 175.52 176.57 1ap4 h LYS 39 N 0.00 0.78 0.07 4.72 1.79 -1.94 -2.87 116.57 119.13 1ap4 h LYS 39 Ca -0.00 -0.13 -0.28 0.00 -2.18 0.00 0.00 60.65 58.05 1ap4 h LYS 39 Cb 0.95 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 1ap4 h LYS 39 CO 0.06 0.67 -1.46 0.93 -1.08 0.00 0.00 179.45 178.56 1ap4 h GLU 40 N 0.77 0.15 -0.78 3.15 4.39 -1.88 -3.37 114.58 117.01 1ap4 h GLU 40 Ca 0.18 -0.26 0.09 0.00 0.34 0.00 0.00 59.36 59.71 1ap4 h GLU 40 Cb 0.20 0.10 -0.12 0.00 -0.10 0.00 0.00 28.75 28.83 1ap4 h GLU 40 CO -0.01 0.98 -0.52 1.25 -1.16 0.00 0.00 179.01 179.55 1ap4 h LEU 41 N 0.04 -1.83 -0.69 1.33 7.12 -1.19 0.34 115.31 120.43 1ap4 h LEU 41 Ca -0.21 0.29 0.13 0.00 0.13 0.00 0.00 57.88 58.23 1ap4 h LEU 41 Cb 1.97 0.82 -0.13 0.00 -0.53 0.00 0.00 40.66 42.79 1ap4 h LEU 41 CO 0.14 -0.30 -0.21 1.23 -0.13 0.00 0.00 178.44 179.17 1ap4 h GLY 42 N -0.13 0.39 1.49 3.75 0.00 -1.72 0.54 103.07 107.38 1ap4 h GLY 42 Ca 0.18 0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.73 1ap4 h GLY 42 CO -0.82 -0.26 0.08 0.50 0.00 0.00 0.00 176.54 176.04 1ap4 h LYS 43 N -0.03 0.65 -0.19 4.80 1.57 -0.72 -2.87 116.57 119.78 1ap4 h LYS 43 Ca 0.32 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1ap4 h LYS 43 Cb 0.52 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1ap4 h LYS 43 CO -0.72 0.61 0.07 0.28 -0.57 0.00 0.00 179.45 179.12 1ap4 h VAL 44 N 0.63 1.18 -0.51 0.50 2.07 0.35 -2.76 116.25 117.71 1ap4 h VAL 44 Ca 0.14 -0.54 0.10 0.00 0.82 0.00 0.00 66.70 67.22 1ap4 h VAL 44 Cb 0.28 1.17 -0.10 0.00 -1.52 0.00 0.00 31.29 31.12 1ap4 h VAL 44 CO 0.00 0.17 -0.21 0.24 0.02 0.00 0.00 177.57 177.80 1ap4 h MET 45 N 0.15 -0.09 0.07 1.57 2.86 -0.74 0.26 114.93 119.01 1ap4 h MET 45 Ca 0.06 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1ap4 h MET 45 Cb 0.21 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1ap4 h MET 45 CO -0.00 -0.06 -0.20 0.00 1.06 0.00 0.00 176.91 177.71 1ap4 h ARG 46 N -0.09 -0.34 -0.45 1.72 3.08 -1.38 0.39 114.38 117.31 1ap4 h ARG 46 Ca 0.24 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.39 1ap4 h ARG 46 Cb 0.46 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 1ap4 h ARG 46 CO -0.57 -0.23 0.04 0.52 -1.07 0.00 0.00 179.97 178.66 1ap4 h MET 47 N -0.35 0.15 0.00 0.04 2.86 -1.00 -3.18 114.93 113.44 1ap4 h MET 47 Ca 0.04 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1ap4 h MET 47 Cb 0.39 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1ap4 h MET 47 CO -0.14 0.10 0.00 1.28 1.06 0.00 0.00 176.91 179.21 1ap4 n LEU 48 N -5.17 0.06 0.00 1.22 4.77 -0.02 -4.91 117.00 112.95 1ap4 n LEU 48 Ca 0.04 0.86 0.00 0.00 -0.03 0.00 0.00 56.01 56.88 1ap4 n LEU 48 Cb 0.23 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1ap4 n LEU 48 CO 0.19 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 1ap4 n GLY 49 N -0.40 0.00 3.36 -0.72 0.00 0.15 -5.10 105.19 102.48 1ap4 n GLY 49 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 1.52 -0.43 1.61 1.11 0.11 -4.98 119.66 118.60 1ap4 s GLN 50 Ca 0.00 -1.84 0.08 0.00 0.01 0.00 0.00 55.36 53.61 1ap4 s GLN 50 Cb 0.00 -0.43 0.28 0.00 -1.01 0.00 0.00 33.01 31.85 1ap4 s GLN 50 CO 0.00 -0.29 0.82 0.27 0.01 0.00 0.00 175.29 176.10 1ap4 n ASN 51 N -0.60 -1.26 -4.21 5.90 0.23 -1.26 -2.60 115.26 111.46 1ap4 n ASN 51 Ca -0.01 -3.18 -0.30 0.00 -0.53 0.00 0.00 54.58 50.56 1ap4 n ASN 51 Cb 0.66 0.74 0.19 0.00 -2.08 0.00 0.00 39.78 39.30 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1ap4 s PRO 52 N -0.49 0.03 0.56 -0.53 0.04 -1.26 -5.06 135.00 128.29 1ap4 s PRO 52 Ca 0.32 -0.04 0.02 0.00 0.04 0.00 0.00 61.00 61.34 1ap4 s PRO 52 Cb 0.25 -1.74 0.05 0.00 0.04 0.00 0.00 34.50 33.10 1ap4 s PRO 52 CO -0.13 -2.88 0.79 0.95 0.04 0.00 0.00 177.00 175.76 1ap4 s THR 53 N -3.33 2.59 -0.06 1.26 -4.23 -1.26 -5.02 115.64 105.60 1ap4 s THR 53 Ca 0.70 -0.70 -0.19 0.00 -1.18 0.00 0.00 61.69 60.32 1ap4 s THR 53 Cb -0.10 -2.90 -0.14 0.00 1.34 0.00 0.00 72.50 70.71 1ap4 s THR 53 CO 0.54 0.00 0.75 1.55 -0.54 0.00 0.00 174.62 176.92 1ap4 h PRO 54 N 0.04 -0.22 -0.04 3.99 0.13 -2.00 -2.92 132.00 130.98 1ap4 h PRO 54 Ca -0.40 0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1ap4 h PRO 54 Cb 1.29 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1ap4 h PRO 54 CO 0.49 0.17 0.04 1.49 -0.23 0.00 0.00 178.00 179.96 1ap4 h GLU 55 N -0.92 0.00 0.00 0.86 4.57 -2.04 -0.94 114.58 116.11 1ap4 h GLU 55 Ca -0.02 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.00 1ap4 h GLU 55 Cb 0.49 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.06 1ap4 h GLU 55 CO 0.04 0.00 -0.76 0.93 -1.18 0.00 0.00 179.01 178.04 1ap4 h GLU 56 N 0.00 0.00 0.00 1.92 5.08 -1.96 -3.29 114.58 116.33 1ap4 h GLU 56 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ap4 h GLU 56 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1ap4 h GLU 56 CO -0.00 0.76 0.00 1.28 -1.00 0.00 0.00 179.01 180.05 1ap4 n LEU 57 N -3.61 0.00 -0.31 1.33 4.77 -0.36 0.23 117.00 119.05 1ap4 n LEU 57 Ca -0.01 0.27 0.01 0.00 -0.03 0.00 0.00 56.01 56.26 1ap4 n LEU 57 Cb 0.74 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.91 1ap4 n LEU 57 CO 0.44 0.00 0.65 -0.61 -1.33 0.00 0.00 177.39 176.54 1ap4 h GLN 58 N 0.00 -0.03 -0.11 3.23 -0.00 -1.74 0.26 115.11 116.72 1ap4 h GLN 58 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.70 1ap4 h GLN 58 Cb 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 27.48 27.43 1ap4 h GLN 58 CO 0.00 -0.02 -0.29 1.49 0.00 0.00 0.00 178.83 180.01 1ap4 h GLU 59 N -0.03 -0.36 0.31 1.69 4.81 -1.46 1.05 114.58 120.59 1ap4 h GLU 59 Ca 0.37 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.61 1ap4 h GLU 59 Cb 0.62 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1ap4 h GLU 59 CO -0.89 -0.24 -0.15 0.52 -0.73 0.00 0.00 179.01 177.52 1ap4 h MET 60 N -0.37 -0.40 -0.97 1.92 2.86 0.52 -0.30 114.93 118.19 1ap4 h MET 60 Ca 0.09 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.82 1ap4 h MET 60 Cb 0.51 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.20 1ap4 h MET 60 CO -0.32 -0.20 0.63 0.82 1.06 0.00 0.00 176.91 178.90 1ap4 h ILE 61 N -0.50 1.09 0.00 -1.22 2.04 -0.31 0.85 117.51 119.46 1ap4 h ILE 61 Ca -0.04 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1ap4 h ILE 61 Cb 0.38 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1ap4 h ILE 61 CO 0.07 0.21 0.00 -0.78 0.00 0.00 0.00 178.15 177.65 1ap4 h ASP 62 N 1.14 0.00 1.20 1.72 1.82 0.14 0.09 116.42 122.54 1ap4 h ASP 62 Ca 0.41 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 57.02 1ap4 h ASP 62 Cb 0.15 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.16 1ap4 h ASP 62 CO -0.16 0.00 -0.82 -0.33 -1.61 0.00 0.00 179.24 176.33 1ap4 h GLU 63 N 0.00 0.00 0.00 0.28 5.08 0.97 -3.35 114.58 117.55 1ap4 h GLU 63 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ap4 h GLU 63 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ap4 h GLU 63 CO 0.00 0.09 -1.56 1.55 -1.00 0.00 0.00 179.01 178.09 1ap4 n VAL 64 N -2.85 0.00 -1.64 3.13 3.14 -0.90 -4.92 118.33 114.29 1ap4 n VAL 64 Ca -0.01 -0.29 -0.40 0.00 -2.96 0.00 0.00 64.34 60.68 1ap4 n VAL 64 Cb 0.61 0.23 -0.03 0.00 -1.06 0.00 0.00 33.84 33.59 1ap4 n VAL 64 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1ap4 s ASP 65 N -3.45 5.12 0.00 6.55 2.15 -0.00 -4.78 116.67 122.26 1ap4 s ASP 65 Ca -0.04 1.51 0.29 0.00 0.43 0.00 0.00 52.55 54.74 1ap4 s ASP 65 Cb 0.08 -2.51 1.35 0.00 -0.30 0.00 0.00 42.92 41.54 1ap4 s ASP 65 CO 0.54 -2.28 1.97 -1.84 -0.17 0.00 0.00 175.17 173.39 1ap4 n GLU 66 N 8.84 0.20 -0.00 4.34 0.28 -1.26 -3.56 120.64 129.48 1ap4 n GLU 66 Ca 0.31 -0.01 0.03 0.00 -0.16 0.00 0.00 57.16 57.33 1ap4 n GLU 66 Cb 0.49 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.81 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1ap4 n ASP 67 N -1.39 3.68 -0.33 -1.84 5.75 -1.26 -4.99 116.55 116.16 1ap4 n ASP 67 Ca 0.10 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.84 1ap4 n ASP 67 Cb 0.30 1.24 -0.02 0.00 -1.03 0.00 0.00 41.12 41.61 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 2.19 0.64 0.34 6.12 0.00 -1.23 -4.84 105.19 108.41 1ap4 n GLY 68 Ca -0.01 -0.24 0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.00 0.00 1.61 4.64 -1.94 -3.45 113.55 114.42 1ap4 h SER 69 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1ap4 h SER 69 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1ap4 h SER 69 CO 0.13 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 1ap4 n GLY 70 N -1.34 3.12 3.86 -0.77 0.00 -1.26 -5.04 105.19 103.76 1ap4 n GLY 70 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.99 4.95 -0.28 2.61 -4.23 -1.26 -4.12 115.64 110.32 1ap4 s THR 71 Ca 0.00 -0.74 -0.10 0.00 -1.18 0.00 0.00 61.69 59.67 1ap4 s THR 71 Cb 0.00 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 1ap4 s THR 71 CO 0.00 -0.00 0.14 -0.69 -0.54 0.00 0.00 174.62 173.53 1ap4 s VAL 72 N -1.62 4.85 0.45 2.29 1.01 0.15 -4.92 120.40 122.60 1ap4 s VAL 72 Ca 0.33 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1ap4 s VAL 72 Cb -0.11 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.95 1ap4 s VAL 72 CO 0.26 0.25 0.63 -0.62 0.00 0.00 0.00 175.10 175.61 1ap4 s ASP 73 N 1.69 5.64 0.63 3.32 2.15 -1.26 -2.45 116.67 126.38 1ap4 s ASP 73 Ca 0.06 -0.14 0.32 0.00 0.43 0.00 0.00 52.55 53.23 1ap4 s ASP 73 Cb -0.16 -0.98 1.80 0.00 -0.30 0.00 0.00 42.92 43.29 1ap4 s ASP 73 CO 0.08 -0.80 2.09 0.15 -0.17 0.00 0.00 175.17 176.52 1ap4 h PHE 74 N 0.49 0.00 0.02 -5.34 3.04 -1.97 1.58 116.94 114.76 1ap4 h PHE 74 Ca -0.43 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.52 1ap4 h PHE 74 Cb 1.28 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.79 1ap4 h PHE 74 CO 0.40 0.00 -0.01 0.22 -2.02 0.00 0.00 178.31 176.90 1ap4 h ASP 75 N 0.00 -0.02 0.31 0.41 1.82 -2.01 -3.28 116.42 113.64 1ap4 h ASP 75 Ca 0.05 -0.67 -0.33 0.00 -0.39 0.00 0.00 57.03 55.69 1ap4 h ASP 75 Cb 0.48 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.50 1ap4 h ASP 75 CO -0.00 0.68 -1.68 -0.33 -1.61 0.00 0.00 179.24 176.31 1ap4 h GLU 76 N -0.76 0.31 -0.91 0.28 5.08 -1.71 -3.32 114.58 113.56 1ap4 h GLU 76 Ca -0.00 -0.54 0.25 0.00 -1.00 0.00 0.00 59.36 58.07 1ap4 h GLU 76 Cb 0.69 0.20 -0.15 0.00 0.50 0.00 0.00 28.75 29.99 1ap4 h GLU 76 CO 0.00 1.20 0.20 0.35 -1.00 0.00 0.00 179.01 179.76 1ap4 h PHE 77 N 0.09 0.28 -0.16 4.33 3.57 0.21 0.11 116.94 125.36 1ap4 h PHE 77 Ca -0.31 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.19 1ap4 h PHE 77 Cb 2.06 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.82 1ap4 h PHE 77 CO 0.08 -0.28 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.69 1ap4 h LEU 78 N 0.14 0.39 -1.66 0.59 3.38 -1.69 -2.76 115.31 113.71 1ap4 h LEU 78 Ca 0.58 -0.45 0.21 0.00 0.09 0.00 0.00 57.88 58.31 1ap4 h LEU 78 Cb 1.20 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1ap4 h LEU 78 CO -0.72 0.76 0.77 0.58 0.09 0.00 0.00 178.44 179.91 1ap4 h VAL 79 N 0.03 0.23 0.02 1.22 2.07 -0.90 0.21 116.25 119.13 1ap4 h VAL 79 Ca 0.03 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1ap4 h VAL 79 Cb 0.63 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1ap4 h VAL 79 CO 0.03 0.00 -0.14 -0.03 0.02 0.00 0.00 177.57 177.45 1ap4 h MET 80 N 0.00 0.06 -0.25 1.57 -1.53 -1.15 -2.76 114.93 110.86 1ap4 h MET 80 Ca 0.34 -0.09 0.06 0.00 -3.44 0.00 0.00 59.70 56.57 1ap4 h MET 80 Cb 1.87 0.03 -0.08 0.00 -0.55 0.00 0.00 31.60 32.88 1ap4 h MET 80 CO -0.00 1.00 -0.35 0.52 0.14 0.00 0.00 176.91 178.22 1ap4 h MET 81 N -0.84 -0.35 -0.18 0.39 2.07 -0.51 0.32 114.93 115.84 1ap4 h MET 81 Ca -0.02 0.02 0.05 0.00 -2.07 0.00 0.00 59.70 57.68 1ap4 h MET 81 Cb 1.07 0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.87 1ap4 h MET 81 CO 0.03 -0.23 0.13 -0.24 1.07 0.00 0.00 176.91 177.66 1ap4 h VAL 82 N -0.36 0.91 0.00 -2.22 3.04 -1.50 -0.24 116.25 115.88 1ap4 h VAL 82 Ca 0.12 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.72 1ap4 h VAL 82 Cb 0.56 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 30.74 1ap4 h VAL 82 CO -0.45 0.00 -0.42 0.03 -1.01 0.00 0.00 177.57 175.72 1ap4 h ARG 83 N 0.00 0.00 0.09 4.17 3.08 -0.10 0.11 114.38 121.73 1ap4 h ARG 83 Ca 0.09 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 1ap4 h ARG 83 Cb 0.34 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.41 1ap4 h ARG 83 CO -0.00 0.42 -0.59 0.00 -1.07 0.00 0.00 179.97 178.72 1ap4 h MET 85 N -0.58 0.00 -6.62 0.00 -0.00 -1.44 -3.47 114.93 102.83 1ap4 h MET 85 Ca -0.11 0.00 -0.53 0.00 -0.00 0.00 0.00 59.70 59.06 1ap4 h MET 85 Cb 1.44 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 32.89 1ap4 h MET 85 CO 0.09 0.00 -0.82 1.63 -0.00 0.00 0.00 176.91 177.81 1ap4 n LYS 86 N -2.60 -3.74 -2.05 -0.10 5.02 0.36 -4.21 118.16 110.85 1ap4 n LYS 86 Ca 0.04 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1ap4 n LYS 86 Cb 0.44 -5.14 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 1ap4 n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ap4 n ASP 87 N -2.73 -9.41 0.00 4.39 2.03 -1.25 -5.05 116.55 104.53 1ap4 n ASP 87 Ca 0.03 1.42 0.00 0.00 0.52 0.00 0.00 54.79 56.76 1ap4 n ASP 87 Cb 0.52 -5.24 0.00 0.00 -0.72 0.00 0.00 41.12 35.67 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ap4 n ASP 88 N 1.33 0.00 0.00 1.67 -0.08 -1.26 -5.20 116.55 113.01 1ap4 n ASP 88 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ap4 n ASP 88 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78