#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 5.60 -0.07 7.83 -1.08 -1.26 -4.91 116.67 122.77 1ap4 s ASP 2 Ca 0.00 2.01 0.06 0.00 -0.52 0.00 0.00 52.55 54.10 1ap4 s ASP 2 Cb 0.00 -2.56 0.31 0.00 -1.46 0.00 0.00 42.92 39.22 1ap4 s ASP 2 CO 0.00 -1.30 1.05 0.47 0.52 0.00 0.00 175.17 175.91 1ap4 n ASP 3 N -1.81 2.60 0.19 -0.34 9.92 -1.26 -4.00 116.55 121.86 1ap4 n ASP 3 Ca 0.10 -2.29 0.14 0.00 -0.53 0.00 0.00 54.79 52.22 1ap4 n ASP 3 Cb 0.52 -0.49 0.51 0.00 -0.64 0.00 0.00 41.12 41.02 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1ap4 h ILE 4 N 1.64 0.00 0.03 0.53 3.07 -2.02 -3.11 117.51 117.64 1ap4 h ILE 4 Ca 0.00 -0.47 -0.33 0.00 1.55 0.00 0.00 64.86 65.62 1ap4 h ILE 4 Cb 0.94 1.37 -0.05 0.00 -0.27 0.00 0.00 36.82 38.81 1ap4 h ILE 4 CO 0.15 0.00 -1.92 -1.22 -1.05 0.00 0.00 178.15 174.11 1ap4 n TYR 5 N -2.66 0.83 0.27 0.16 4.01 -1.26 -3.46 117.16 115.05 1ap4 n TYR 5 Ca 0.02 0.26 0.18 0.00 -0.16 0.00 0.00 57.90 58.20 1ap4 n TYR 5 Cb 0.32 -1.14 0.94 0.00 -0.31 0.00 0.00 39.34 39.16 1ap4 n TYR 5 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1ap4 h LYS 6 N 0.01 0.00 0.03 -0.72 1.57 -1.81 -1.21 116.57 114.45 1ap4 h LYS 6 Ca -0.37 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.04 1ap4 h LYS 6 Cb 2.05 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 34.31 1ap4 h LYS 6 CO 0.06 0.00 -2.26 0.00 -0.57 0.00 0.00 179.45 176.69 1ap4 n ALA 7 N -1.94 1.35 0.16 3.86 0.00 -1.25 -3.54 120.51 119.15 1ap4 n ALA 7 Ca -0.02 -1.02 0.01 0.00 0.00 0.00 0.00 53.44 52.41 1ap4 n ALA 7 Cb 0.08 -0.34 0.32 0.00 0.00 0.00 0.00 19.45 19.50 1ap4 n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ap4 h ALA 8 N 0.41 1.31 0.14 0.00 0.00 -1.37 -1.54 119.26 118.21 1ap4 h ALA 8 Ca -0.50 -0.36 -0.28 0.00 0.00 0.00 0.00 54.91 53.76 1ap4 h ALA 8 Cb 2.03 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.77 1ap4 h ALA 8 CO 0.00 0.51 -1.26 0.28 0.00 0.00 0.00 179.25 178.78 1ap4 h VAL 9 N 0.05 1.45 0.00 0.00 2.07 -1.43 -3.22 116.25 115.17 1ap4 h VAL 9 Ca 0.00 -2.94 0.00 0.00 0.82 0.00 0.00 66.70 64.58 1ap4 h VAL 9 Cb 0.71 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 1ap4 h VAL 9 CO 0.05 0.86 0.00 -0.08 0.02 0.00 0.00 177.57 178.43 1ap4 h GLU 10 N 0.10 0.00 0.00 1.57 4.22 -1.57 -3.07 114.58 115.84 1ap4 h GLU 10 Ca -0.15 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.28 1ap4 h GLU 10 Cb 1.97 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.22 1ap4 h GLU 10 CO 0.21 0.00 -0.05 1.96 -2.18 0.00 0.00 179.01 178.95 1ap4 h GLN 11 N 0.00 0.00 -7.01 1.92 4.20 -1.29 -3.45 115.11 109.48 1ap4 h GLN 11 Ca 0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 1ap4 h GLN 11 Cb 0.66 0.00 0.17 0.00 0.30 0.00 0.00 27.48 28.61 1ap4 h GLN 11 CO 0.00 0.05 0.29 1.28 -0.67 0.00 0.00 178.83 179.78 1ap4 n LEU 12 N -3.15 4.63 -4.85 1.46 4.77 -1.16 -4.97 117.00 113.72 1ap4 n LEU 12 Ca 0.01 0.75 -0.31 0.00 -0.03 0.00 0.00 56.01 56.43 1ap4 n LEU 12 Cb 0.37 -1.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.00 1ap4 n LEU 12 CO 0.30 -1.57 0.71 0.42 -1.33 0.00 0.00 177.39 175.91 1ap4 s THR 13 N -1.61 4.53 0.11 -5.08 -4.23 -1.26 -4.91 115.64 103.19 1ap4 s THR 13 Ca 0.78 0.91 -0.21 0.00 -1.18 0.00 0.00 61.69 61.99 1ap4 s THR 13 Cb -0.37 -3.75 -0.07 0.00 1.34 0.00 0.00 72.50 69.65 1ap4 s THR 13 CO 0.45 -0.99 1.72 -0.08 -0.54 0.00 0.00 174.62 175.19 1ap4 h GLU 14 N -0.12 0.01 -0.67 3.99 4.57 -1.96 -1.11 114.58 119.30 1ap4 h GLU 14 Ca -0.45 -0.00 0.16 0.00 -1.18 0.00 0.00 59.36 57.89 1ap4 h GLU 14 Cb 1.19 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.74 1ap4 h GLU 14 CO 0.61 0.01 0.46 1.05 -1.18 0.00 0.00 179.01 179.96 1ap4 h GLU 15 N 0.01 0.20 0.23 1.92 4.11 -1.98 0.25 114.58 119.33 1ap4 h GLU 15 Ca 0.06 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.47 1ap4 h GLU 15 Cb 0.09 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1ap4 h GLU 15 CO -0.13 0.13 -0.11 0.37 0.07 0.00 0.00 179.01 179.34 1ap4 h GLN 16 N 0.20 -0.30 0.00 1.06 5.75 -1.58 -2.52 115.11 117.72 1ap4 h GLN 16 Ca 0.32 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.84 1ap4 h GLN 16 Cb 0.99 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.61 1ap4 h GLN 16 CO -0.06 0.01 0.00 1.63 -2.65 0.00 0.00 178.83 177.76 1ap4 n LYS 17 N -5.09 0.02 0.11 1.69 5.02 -0.71 -2.63 118.16 116.55 1ap4 n LYS 17 Ca -0.09 0.25 -0.19 0.00 -2.02 0.00 0.00 58.31 56.26 1ap4 n LYS 17 Cb 0.24 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.60 1ap4 n LYS 17 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1ap4 h ASN 18 N 0.00 0.55 0.94 4.39 2.35 -0.56 -3.15 115.58 120.09 1ap4 h ASN 18 Ca 0.00 -0.63 -0.22 0.00 -0.55 0.00 0.00 56.30 54.90 1ap4 h ASN 18 Cb 0.23 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 1ap4 h ASN 18 CO 0.00 1.50 -1.05 -0.33 -1.65 0.00 0.00 177.43 175.90 1ap4 h GLU 19 N 0.10 0.04 -0.10 0.81 5.08 -1.24 -3.28 114.58 115.98 1ap4 h GLU 19 Ca -0.21 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 57.96 1ap4 h GLU 19 Cb 2.05 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.31 1ap4 h GLU 19 CO 0.21 1.02 -0.49 0.74 -1.00 0.00 0.00 179.01 179.50 1ap4 h PHE 20 N 0.01 0.32 -0.60 4.33 -1.00 -1.64 -2.96 116.94 115.40 1ap4 h PHE 20 Ca -0.03 -0.10 0.03 0.00 2.81 0.00 0.00 57.97 60.68 1ap4 h PHE 20 Cb 1.80 -0.06 -0.04 0.00 3.61 0.00 0.00 35.95 41.26 1ap4 h PHE 20 CO 0.01 0.70 0.36 -0.22 -1.61 0.00 0.00 178.31 177.55 1ap4 h LYS 21 N 0.21 0.68 0.38 1.51 1.63 -1.60 0.78 116.57 120.15 1ap4 h LYS 21 Ca 0.01 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1ap4 h LYS 21 Cb 0.94 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1ap4 h LYS 21 CO 0.08 0.45 -0.18 0.00 -3.45 0.00 0.00 179.45 176.34 1ap4 h ALA 22 N 1.27 -0.51 -0.26 5.00 0.00 -1.66 -2.77 119.26 120.34 1ap4 h ALA 22 Ca 0.25 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ap4 h ALA 22 Cb 0.05 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ap4 h ALA 22 CO -0.12 -0.68 0.15 0.00 0.00 0.00 0.00 179.25 178.60 1ap4 h ALA 23 N -0.17 1.77 -0.62 0.00 0.00 -1.34 -2.39 119.26 116.51 1ap4 h ALA 23 Ca -0.05 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1ap4 h ALA 23 Cb 0.50 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 1ap4 h ALA 23 CO 0.08 0.20 0.14 0.35 0.00 0.00 0.00 179.25 180.03 1ap4 h PHE 24 N 0.36 0.22 0.00 0.00 3.57 0.87 0.40 116.94 122.36 1ap4 h PHE 24 Ca 0.09 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1ap4 h PHE 24 Cb 0.01 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1ap4 h PHE 24 CO 0.00 -0.03 0.00 -0.25 -2.23 0.00 0.00 178.31 175.80 1ap4 n ASP 25 N -5.13 0.68 0.06 0.41 9.92 -0.91 -2.80 116.55 118.78 1ap4 n ASP 25 Ca 0.10 0.65 -0.09 0.00 -0.53 0.00 0.00 54.79 54.92 1ap4 n ASP 25 Cb 0.34 -0.80 -0.13 0.00 -0.64 0.00 0.00 41.12 39.89 1ap4 n ASP 25 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1ap4 h ILE 26 N 0.00 1.55 0.00 0.53 2.04 -0.17 -3.27 117.51 118.19 1ap4 h ILE 26 Ca 0.00 -3.25 0.00 0.00 1.00 0.00 0.00 64.86 62.61 1ap4 h ILE 26 Cb 0.41 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 1ap4 h ILE 26 CO 0.00 0.90 -0.08 -0.26 0.00 0.00 0.00 178.15 178.71 1ap4 h PHE 27 N 0.01 0.00 -0.00 1.37 0.04 -1.25 -3.15 116.94 113.96 1ap4 h PHE 27 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1ap4 h PHE 27 Cb 1.84 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.99 1ap4 h PHE 27 CO 0.01 0.00 -0.24 1.33 -0.60 0.00 0.00 178.31 178.81 1ap4 n VAL 28 N -2.90 0.00 -1.51 -0.55 0.24 -1.21 -4.76 118.33 107.63 1ap4 n VAL 28 Ca 0.04 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 1ap4 n VAL 28 Cb 0.51 0.02 -0.16 0.00 -1.47 0.00 0.00 33.84 32.74 1ap4 n VAL 28 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1ap4 n LEU 29 N -1.19 -0.03 0.00 1.34 7.94 -1.19 0.18 117.00 124.05 1ap4 n LEU 29 Ca 0.10 -0.42 0.00 0.00 -1.11 0.00 0.00 56.01 54.58 1ap4 n LEU 29 Cb 0.32 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.34 1ap4 n LEU 29 CO 0.28 -1.37 0.00 0.61 -1.11 0.00 0.00 177.39 175.81 1ap4 n GLY 30 N 6.07 1.54 0.00 -3.96 0.00 -1.26 -5.12 105.19 102.46 1ap4 n GLY 30 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 0.00 -0.07 4.61 0.00 0.48 -5.02 120.51 120.51 1ap4 n ALA 31 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1ap4 n ALA 31 Cb 0.00 0.00 -0.06 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 -1.71 0.33 -0.00 0.00 1.02 -1.26 -4.75 120.64 114.26 1ap4 n GLU 32 Ca 0.00 0.12 0.07 0.00 -0.02 0.00 0.00 57.16 57.33 1ap4 n GLU 32 Cb 0.00 -1.11 -0.10 0.00 -0.02 0.00 0.00 31.44 30.22 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 -3.45 1.38 0.00 1.62 5.68 -1.26 -4.99 116.55 115.52 1ap4 n ASP 33 Ca -0.28 -0.31 0.00 0.00 -0.50 0.00 0.00 54.79 53.70 1ap4 n ASP 33 Cb 0.73 1.40 0.00 0.00 -1.14 0.00 0.00 41.12 42.10 1ap4 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ap4 n GLY 34 N 1.56 0.94 3.27 6.12 0.00 -1.26 -5.15 105.19 110.68 1ap4 n GLY 34 Ca -0.01 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.93 5.13 1.16 0.00 1.01 -1.13 -4.52 121.20 121.91 1ap4 s ILE 36 Ca 0.07 -2.61 -0.17 0.00 0.00 0.00 0.00 60.65 57.95 1ap4 s ILE 36 Cb -0.09 -4.85 0.21 0.00 0.01 0.00 0.00 42.46 37.73 1ap4 s ILE 36 CO 0.03 -1.54 0.39 -0.24 0.00 0.00 0.00 174.94 173.58 1ap4 n SER 37 N 5.36 -2.95 0.18 3.58 2.88 -1.26 -1.98 113.62 119.43 1ap4 n SER 37 Ca 0.33 -0.39 0.06 0.00 -1.33 0.00 0.00 58.87 57.54 1ap4 n SER 37 Cb 0.43 -0.91 0.20 0.00 -0.75 0.00 0.00 64.21 63.18 1ap4 n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ap4 h THR 38 N -2.71 0.70 -0.18 2.46 1.03 -1.94 -3.14 112.91 109.14 1ap4 h THR 38 Ca -0.40 -1.71 -0.04 0.00 -0.01 0.00 0.00 66.41 64.25 1ap4 h THR 38 Cb 1.12 2.14 -0.01 0.00 -1.07 0.00 0.00 68.15 70.32 1ap4 h THR 38 CO 0.27 0.35 -0.07 0.50 -0.01 0.00 0.00 175.52 176.57 1ap4 h LYS 39 N 0.00 0.27 -1.48 0.00 3.64 -1.91 -2.80 116.57 114.29 1ap4 h LYS 39 Ca -0.00 -0.05 -0.67 0.00 -1.27 0.00 0.00 60.65 58.65 1ap4 h LYS 39 Cb 1.11 -0.04 -0.34 0.00 -0.41 0.00 0.00 32.23 32.55 1ap4 h LYS 39 CO 0.05 0.36 0.30 0.39 -2.27 0.00 0.00 179.45 178.28 1ap4 n GLU 40 N -4.31 3.03 -0.00 1.90 4.71 -1.18 -4.48 120.64 120.31 1ap4 n GLU 40 Ca -0.00 -3.81 0.00 0.00 -0.01 0.00 0.00 57.16 53.34 1ap4 n GLU 40 Cb 0.23 -2.27 -0.00 0.00 -1.01 0.00 0.00 31.44 28.39 1ap4 n GLU 40 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 1ap4 n LEU 41 N -0.63 0.00 0.27 -4.62 0.00 -1.06 -4.46 117.00 106.50 1ap4 n LEU 41 Ca 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 56.41 1ap4 n LEU 41 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.91 1ap4 n LEU 41 CO 0.51 0.00 0.37 1.23 0.00 0.00 0.00 177.39 179.51 1ap4 h GLY 42 N 0.10 -0.74 1.73 -3.96 0.00 -1.78 -1.68 103.07 96.74 1ap4 h GLY 42 Ca -0.00 0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.63 1ap4 h GLY 42 CO 0.00 -0.27 0.11 0.07 0.00 0.00 0.00 176.54 176.45 1ap4 h LYS 43 N -0.93 0.00 -0.30 4.80 5.09 -1.89 -0.30 116.57 123.03 1ap4 h LYS 43 Ca -0.07 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.55 1ap4 h LYS 43 Cb 0.55 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.86 1ap4 h LYS 43 CO 0.12 0.00 -0.31 0.28 -2.09 0.00 0.00 179.45 177.44 1ap4 h VAL 44 N 0.00 1.28 0.00 0.07 2.07 -1.73 -2.93 116.25 115.01 1ap4 h VAL 44 Ca 0.05 -1.44 -0.18 0.00 0.82 0.00 0.00 66.70 65.95 1ap4 h VAL 44 Cb 0.26 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1ap4 h VAL 44 CO -0.00 0.46 -0.87 0.24 0.02 0.00 0.00 177.57 177.43 1ap4 h MET 45 N 0.55 0.01 0.54 1.57 2.86 -0.11 -2.35 114.93 118.00 1ap4 h MET 45 Ca 0.06 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1ap4 h MET 45 Cb 0.81 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.48 1ap4 h MET 45 CO 0.07 0.87 -0.26 0.00 1.06 0.00 0.00 176.91 178.65 1ap4 h ARG 46 N 0.00 -0.69 -0.01 1.72 3.08 -1.22 1.08 114.38 118.34 1ap4 h ARG 46 Ca -0.01 0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 1ap4 h ARG 46 Cb 1.53 0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.72 1ap4 h ARG 46 CO 0.11 -0.44 -0.56 0.00 -1.07 0.00 0.00 179.97 178.02 1ap4 h MET 47 N -0.78 0.02 0.00 0.04 -0.00 -1.63 -2.68 114.93 109.91 1ap4 h MET 47 Ca -0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.61 1ap4 h MET 47 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.18 1ap4 h MET 47 CO 0.12 0.57 0.00 -0.07 -0.00 0.00 0.00 176.91 177.53 1ap4 h LEU 48 N 0.02 0.00 0.00 -0.10 3.38 -1.24 -3.45 115.31 113.92 1ap4 h LEU 48 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ap4 h LEU 48 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ap4 h LEU 48 CO 0.07 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1ap4 n GLY 49 N -0.58 1.38 3.46 0.83 0.00 -0.90 -5.06 105.19 104.32 1ap4 n GLY 49 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.07 1.63 -0.39 1.61 -0.21 0.37 -5.01 119.66 117.59 1ap4 s GLN 50 Ca 0.00 -1.85 0.10 0.00 0.02 0.00 0.00 55.36 53.63 1ap4 s GLN 50 Cb 0.00 -1.16 0.32 0.00 1.00 0.00 0.00 33.01 33.16 1ap4 s GLN 50 CO 0.00 -0.02 0.72 -1.71 -2.12 0.00 0.00 175.29 172.16 1ap4 n ASN 51 N -0.66 0.20 -4.79 5.90 5.15 -1.26 -3.07 115.26 116.73 1ap4 n ASN 51 Ca -0.05 -3.01 -0.34 0.00 -0.60 0.00 0.00 54.58 50.59 1ap4 n ASN 51 Cb 0.64 -0.28 -0.00 0.00 -0.53 0.00 0.00 39.78 39.61 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1ap4 s PRO 52 N -1.72 3.44 0.73 1.20 0.04 -1.26 -5.05 135.00 132.39 1ap4 s PRO 52 Ca 0.37 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.67 1ap4 s PRO 52 Cb 0.29 -2.04 0.08 0.00 0.04 0.00 0.00 34.50 32.87 1ap4 s PRO 52 CO -0.09 -0.73 1.04 0.95 0.04 0.00 0.00 177.00 178.22 1ap4 s THR 53 N -2.18 2.23 -0.05 1.26 -4.23 -1.26 -4.89 115.64 106.52 1ap4 s THR 53 Ca 0.66 -0.27 -0.26 0.00 -1.18 0.00 0.00 61.69 60.65 1ap4 s THR 53 Cb -0.18 -2.96 -0.21 0.00 1.34 0.00 0.00 72.50 70.49 1ap4 s THR 53 CO 0.30 0.00 1.13 1.55 -0.54 0.00 0.00 174.62 177.06 1ap4 h PRO 54 N -0.70 -0.03 0.00 3.99 0.13 -2.00 -0.50 132.00 132.90 1ap4 h PRO 54 Ca -0.44 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1ap4 h PRO 54 Cb 1.31 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ap4 h PRO 54 CO 0.57 0.54 -0.02 0.93 -0.23 0.00 0.00 178.00 179.79 1ap4 h GLU 55 N -0.63 0.00 0.12 0.86 5.08 -2.02 -2.67 114.58 115.32 1ap4 h GLU 55 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1ap4 h GLU 55 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1ap4 h GLU 55 CO 0.01 0.02 -1.50 0.93 -1.00 0.00 0.00 179.01 177.47 1ap4 h GLU 56 N 0.00 0.26 -0.59 2.33 5.08 -1.93 -3.29 114.58 116.43 1ap4 h GLU 56 Ca -0.00 -0.44 0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1ap4 h GLU 56 Cb 0.06 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 1ap4 h GLU 56 CO 0.00 1.21 -0.37 1.25 -1.00 0.00 0.00 179.01 180.11 1ap4 h LEU 57 N -0.24 -1.34 0.51 1.33 5.85 -0.72 0.45 115.31 121.14 1ap4 h LEU 57 Ca -0.32 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1ap4 h LEU 57 Cb 1.81 0.59 0.00 0.00 0.37 0.00 0.00 40.66 43.43 1ap4 h LEU 57 CO 0.07 -0.15 -0.29 -0.61 -0.34 0.00 0.00 178.44 177.12 1ap4 h GLN 58 N -0.02 -0.71 -0.99 1.25 -0.00 -1.75 -2.44 115.11 110.45 1ap4 h GLN 58 Ca 0.10 0.05 0.35 0.00 -0.00 0.00 0.00 58.65 59.14 1ap4 h GLN 58 Cb 0.27 0.16 -0.16 0.00 0.00 0.00 0.00 27.48 27.75 1ap4 h GLN 58 CO -0.57 -0.47 0.48 1.49 0.00 0.00 0.00 178.83 179.76 1ap4 h GLU 59 N -0.74 0.16 0.00 1.69 4.81 -1.54 1.21 114.58 120.17 1ap4 h GLU 59 Ca -0.07 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 1ap4 h GLU 59 Cb 0.58 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1ap4 h GLU 59 CO 0.08 0.11 -0.29 1.98 -0.73 0.00 0.00 179.01 180.16 1ap4 h MET 60 N 0.17 0.00 -0.01 1.92 4.05 0.18 -2.15 114.93 119.08 1ap4 h MET 60 Ca 0.75 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.17 1ap4 h MET 60 Cb 1.80 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.60 1ap4 h MET 60 CO -0.70 0.29 -0.18 -0.89 0.23 0.00 0.00 176.91 175.67 1ap4 n ILE 61 N -4.15 0.00 0.59 1.77 5.41 0.40 -3.84 119.36 119.54 1ap4 n ILE 61 Ca -0.02 -0.22 0.07 0.00 1.00 0.00 0.00 62.75 63.58 1ap4 n ILE 61 Cb 0.34 0.66 0.05 0.00 -0.71 0.00 0.00 39.64 39.99 1ap4 n ILE 61 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1ap4 n ASP 62 N -0.09 2.12 -0.08 4.38 -0.08 -0.27 -3.81 116.55 118.72 1ap4 n ASP 62 Ca 0.14 -1.56 -0.08 0.00 -1.51 0.00 0.00 54.79 51.78 1ap4 n ASP 62 Cb 0.39 0.04 -0.13 0.00 2.34 0.00 0.00 41.12 43.76 1ap4 n ASP 62 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ap4 n GLU 63 N 0.71 1.27 -0.02 -0.67 -0.58 -0.97 -4.53 120.64 115.84 1ap4 n GLU 63 Ca 0.08 -0.01 0.05 0.00 -0.42 0.00 0.00 57.16 56.87 1ap4 n GLU 63 Cb 0.35 -1.43 -0.15 0.00 -0.57 0.00 0.00 31.44 29.64 1ap4 n GLU 63 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1ap4 n VAL 64 N -2.62 0.44 -1.58 2.62 3.14 -1.25 -4.89 118.33 114.18 1ap4 n VAL 64 Ca -0.27 -0.60 -0.45 0.00 -2.96 0.00 0.00 64.34 60.06 1ap4 n VAL 64 Cb 1.04 -0.18 -0.04 0.00 -1.06 0.00 0.00 33.84 33.60 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 -2.44 3.14 -0.94 6.55 2.03 -1.25 -4.80 116.55 118.83 1ap4 n ASP 65 Ca -0.11 0.40 0.10 0.00 0.52 0.00 0.00 54.79 55.70 1ap4 n ASP 65 Cb 0.72 -1.47 0.27 0.00 -0.72 0.00 0.00 41.12 39.92 1ap4 n ASP 65 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ap4 n GLU 66 N 8.29 2.20 -0.00 -0.67 4.07 -1.26 -4.03 120.64 129.24 1ap4 n GLU 66 Ca 0.31 -1.84 0.03 0.00 -0.06 0.00 0.00 57.16 55.59 1ap4 n GLU 66 Cb 0.38 -1.44 -0.05 0.00 -0.06 0.00 0.00 31.44 30.27 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1ap4 n ASP 67 N 1.02 3.03 -1.05 4.31 5.75 -1.26 -5.00 116.55 123.36 1ap4 n ASP 67 Ca 0.18 -0.10 -0.11 0.00 -0.01 0.00 0.00 54.79 54.75 1ap4 n ASP 67 Cb 0.47 1.24 -0.03 0.00 -1.03 0.00 0.00 41.12 41.78 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 1.98 0.58 0.07 6.12 0.00 -1.26 -4.92 105.19 107.76 1ap4 n GLY 68 Ca -0.01 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.01 0.00 1.61 4.64 -1.94 -3.48 113.55 114.37 1ap4 h SER 69 Ca -0.24 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.26 1ap4 h SER 69 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1ap4 h SER 69 CO 0.32 0.85 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 1ap4 n GLY 70 N 1.34 1.15 3.51 -0.77 0.00 -1.26 -5.11 105.19 104.05 1ap4 n GLY 70 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 1.88 -0.32 2.61 -4.23 -1.26 -3.80 115.64 108.52 1ap4 s THR 71 Ca 0.00 -2.12 -0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1ap4 s THR 71 Cb 0.00 -2.67 0.07 0.00 1.34 0.00 0.00 72.50 71.24 1ap4 s THR 71 CO 0.00 -0.17 0.03 -0.69 -0.54 0.00 0.00 174.62 173.25 1ap4 s VAL 72 N -2.84 2.80 0.62 2.29 1.01 -0.84 -4.92 120.40 118.52 1ap4 s VAL 72 Ca 0.32 -1.72 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 1ap4 s VAL 72 Cb 0.05 -2.75 0.06 0.00 0.00 0.00 0.00 36.38 33.74 1ap4 s VAL 72 CO 0.15 -0.30 0.87 -0.62 0.00 0.00 0.00 175.10 175.21 1ap4 s ASP 73 N 1.29 4.98 0.37 3.32 2.15 -1.26 -2.85 116.67 124.66 1ap4 s ASP 73 Ca -0.00 0.02 0.16 0.00 0.43 0.00 0.00 52.55 53.16 1ap4 s ASP 73 Cb -0.20 -0.75 1.07 0.00 -0.30 0.00 0.00 42.92 42.74 1ap4 s ASP 73 CO -0.04 -1.39 1.72 0.15 -0.17 0.00 0.00 175.17 175.44 1ap4 h PHE 74 N -0.20 0.80 0.10 -5.34 3.57 -1.97 1.62 116.94 115.53 1ap4 h PHE 74 Ca -0.41 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.11 1ap4 h PHE 74 Cb 1.29 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1ap4 h PHE 74 CO 0.24 -0.01 -0.05 -0.44 -2.23 0.00 0.00 178.31 175.82 1ap4 h ASP 75 N 0.40 -0.12 -0.82 0.41 3.32 -2.01 -2.80 116.42 114.81 1ap4 h ASP 75 Ca 0.66 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.72 1ap4 h ASP 75 Cb 1.58 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 41.12 1ap4 h ASP 75 CO -0.42 -0.06 0.52 -0.33 -1.72 0.00 0.00 179.24 177.22 1ap4 h GLU 76 N -0.18 1.10 -0.66 3.56 5.08 -1.81 -2.41 114.58 119.26 1ap4 h GLU 76 Ca -0.01 -0.08 0.14 0.00 -1.00 0.00 0.00 59.36 58.40 1ap4 h GLU 76 Cb 0.10 -0.24 -0.11 0.00 0.50 0.00 0.00 28.75 29.01 1ap4 h GLU 76 CO 0.02 0.75 0.03 0.35 -1.00 0.00 0.00 179.01 179.17 1ap4 h PHE 77 N 1.12 0.01 0.01 4.33 3.57 0.23 0.31 116.94 126.52 1ap4 h PHE 77 Ca 0.30 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 1ap4 h PHE 77 Cb -0.08 0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1ap4 h PHE 77 CO 0.00 -0.16 -0.00 -0.07 -2.23 0.00 0.00 178.31 175.84 1ap4 h LEU 78 N 0.14 -0.01 -0.79 0.59 3.38 -1.18 -3.06 115.31 114.37 1ap4 h LEU 78 Ca 0.35 -0.58 0.19 0.00 0.09 0.00 0.00 57.88 57.93 1ap4 h LEU 78 Cb 0.58 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.21 1ap4 h LEU 78 CO -0.55 0.58 0.20 0.58 0.09 0.00 0.00 178.44 179.35 1ap4 h VAL 79 N -0.61 0.45 -0.78 1.22 2.07 -0.93 0.52 116.25 118.19 1ap4 h VAL 79 Ca -0.00 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1ap4 h VAL 79 Cb 0.59 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1ap4 h VAL 79 CO 0.00 0.05 0.51 -0.03 0.02 0.00 0.00 177.57 178.12 1ap4 h MET 80 N 0.26 0.94 0.17 1.57 4.05 -0.97 0.88 114.93 121.84 1ap4 h MET 80 Ca 0.47 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.82 1ap4 h MET 80 Cb 0.85 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 1ap4 h MET 80 CO -0.56 0.62 -0.08 0.52 0.23 0.00 0.00 176.91 177.64 1ap4 h MET 81 N 0.97 -0.22 -0.95 0.39 2.07 0.03 -3.18 114.93 114.04 1ap4 h MET 81 Ca 0.30 0.02 0.28 0.00 -2.07 0.00 0.00 59.70 58.23 1ap4 h MET 81 Cb 0.01 0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 29.76 1ap4 h MET 81 CO -0.08 -0.15 0.76 -0.24 1.07 0.00 0.00 176.91 178.27 1ap4 h VAL 82 N -0.51 0.38 -0.08 -2.22 3.04 -0.94 0.57 116.25 116.48 1ap4 h VAL 82 Ca -0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1ap4 h VAL 82 Cb 0.18 0.44 -0.00 0.00 -2.01 0.00 0.00 31.29 29.90 1ap4 h VAL 82 CO 0.04 0.00 0.05 0.03 -1.01 0.00 0.00 177.57 176.68 1ap4 h ARG 83 N 0.00 0.10 0.00 4.17 3.08 -0.82 -2.20 114.38 118.72 1ap4 h ARG 83 Ca 0.45 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.49 1ap4 h ARG 83 Cb 1.98 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 32.00 1ap4 h ARG 83 CO -0.00 0.07 -0.04 0.00 -1.07 0.00 0.00 179.97 178.92 1ap4 h MET 85 N 0.00 0.32 0.00 0.00 2.86 -0.83 -2.69 114.93 114.59 1ap4 h MET 85 Ca -0.00 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1ap4 h MET 85 Cb 0.75 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.40 1ap4 h MET 85 CO 0.01 0.68 -0.07 0.87 1.06 0.00 0.00 176.91 179.46 1ap4 h LYS 86 N 0.26 0.00 -0.78 1.72 1.57 -1.40 -2.53 116.57 115.41 1ap4 h LYS 86 Ca 0.02 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1ap4 h LYS 86 Cb 0.84 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.10 1ap4 h LYS 86 CO 0.07 0.07 0.50 0.22 -0.57 0.00 0.00 179.45 179.73 1ap4 h ASP 87 N 0.00 0.82 -5.98 0.86 3.58 -1.63 -3.46 116.42 110.61 1ap4 h ASP 87 Ca -0.00 -0.00 -0.39 0.00 0.42 0.00 0.00 57.03 57.06 1ap4 h ASP 87 Cb 0.19 -0.18 0.09 0.00 1.72 0.00 0.00 39.33 41.15 1ap4 h ASP 87 CO 0.01 0.56 -0.84 0.47 -2.88 0.00 0.00 179.24 176.56 1ap4 n ASP 88 N -4.61 -2.30 0.00 2.28 8.00 -0.96 -5.19 116.55 113.78 1ap4 n ASP 88 Ca 0.09 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.79 1ap4 n ASP 88 Cb 0.09 -4.24 0.00 0.00 -0.02 0.00 0.00 41.12 36.95 1ap4 n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57