#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 0.00 -3.20 7.83 8.00 -1.26 -5.17 116.55 122.76 1ap4 n ASP 2 Ca 0.00 -0.24 0.04 0.00 0.71 0.00 0.00 54.79 55.30 1ap4 n ASP 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1ap4 n ASP 2 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1ap4 s ASP 3 N 1.28 -0.36 0.00 -2.24 1.47 -1.26 -5.06 116.67 110.50 1ap4 s ASP 3 Ca 0.00 0.32 0.00 0.00 1.18 0.00 0.00 52.55 54.05 1ap4 s ASP 3 Cb 0.00 1.34 0.00 0.00 -0.34 0.00 0.00 42.92 43.92 1ap4 s ASP 3 CO 0.00 -0.07 0.00 -0.38 0.68 0.00 0.00 175.17 175.40 1ap4 n ILE 4 N 5.21 0.00 0.05 2.11 5.41 -1.26 -4.87 119.36 126.01 1ap4 n ILE 4 Ca -0.08 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.54 1ap4 n ILE 4 Cb 0.54 -0.10 -0.14 0.00 -0.71 0.00 0.00 39.64 39.23 1ap4 n ILE 4 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1ap4 h TYR 5 N 0.00 0.29 0.00 1.39 0.05 -2.01 -3.25 116.97 113.44 1ap4 h TYR 5 Ca 0.00 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.57 1ap4 h TYR 5 Cb 0.04 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1ap4 h TYR 5 CO 0.00 1.24 0.00 1.57 -1.05 0.00 0.00 178.16 179.92 1ap4 h LYS 6 N 0.04 0.00 0.00 4.88 2.10 -1.98 -1.07 116.57 120.54 1ap4 h LYS 6 Ca -0.20 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.18 1ap4 h LYS 6 Cb 1.96 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 33.24 1ap4 h LYS 6 CO 0.14 0.00 -1.93 0.00 -2.00 0.00 0.00 179.45 175.67 1ap4 n ALA 7 N -1.80 1.68 0.21 0.07 0.00 -1.23 -3.99 120.51 115.45 1ap4 n ALA 7 Ca -0.01 -0.92 0.06 0.00 0.00 0.00 0.00 53.44 52.56 1ap4 n ALA 7 Cb 0.05 -0.61 0.47 0.00 0.00 0.00 0.00 19.45 19.36 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 1.15 1.37 0.02 0.00 0.00 -1.24 -2.76 119.26 117.80 1ap4 h ALA 8 Ca -0.34 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 54.04 1ap4 h ALA 8 Cb 1.95 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.71 1ap4 h ALA 8 CO 0.05 0.35 -1.07 0.28 0.00 0.00 0.00 179.25 178.86 1ap4 h VAL 9 N 0.00 1.29 -0.21 0.00 2.07 -1.69 -3.24 116.25 114.47 1ap4 h VAL 9 Ca -0.00 -2.30 -0.07 0.00 0.82 0.00 0.00 66.70 65.15 1ap4 h VAL 9 Cb 0.55 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1ap4 h VAL 9 CO 0.04 0.71 -0.16 -0.08 0.02 0.00 0.00 177.57 178.09 1ap4 h GLU 10 N 0.36 0.35 0.00 1.57 4.81 -1.65 -1.73 114.58 118.30 1ap4 h GLU 10 Ca -0.14 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1ap4 h GLU 10 Cb 1.73 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.07 1ap4 h GLU 10 CO 0.21 0.52 0.00 1.04 -0.73 0.00 0.00 179.01 180.04 1ap4 n GLN 11 N -4.21 0.05 -1.64 1.92 3.00 -1.06 -4.72 117.38 110.72 1ap4 n GLN 11 Ca -0.00 0.31 -0.43 0.00 -0.01 0.00 0.00 57.00 56.87 1ap4 n GLN 11 Cb 0.32 -1.59 -0.03 0.00 0.00 0.00 0.00 30.24 28.94 1ap4 n GLN 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ap4 n LEU 12 N -1.68 3.88 -4.66 1.08 4.77 -0.65 -4.91 117.00 114.83 1ap4 n LEU 12 Ca 0.03 0.71 -0.39 0.00 -0.03 0.00 0.00 56.01 56.33 1ap4 n LEU 12 Cb 0.17 -1.53 0.04 0.00 -2.33 0.00 0.00 43.42 39.77 1ap4 n LEU 12 CO 0.14 -0.06 0.72 0.35 -1.33 0.00 0.00 177.39 177.22 1ap4 n THR 13 N 6.15 3.32 -0.27 -5.08 -2.24 -1.26 -4.77 114.28 110.13 1ap4 n THR 13 Ca 0.23 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.54 1ap4 n THR 13 Cb 0.41 -1.35 0.24 0.00 -2.10 0.00 0.00 70.33 67.53 1ap4 n THR 13 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ap4 h GLU 14 N 1.19 0.99 0.00 -0.78 4.81 -1.95 -0.21 114.58 118.63 1ap4 h GLU 14 Ca -0.48 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.66 1ap4 h GLU 14 Cb 1.33 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1ap4 h GLU 14 CO 0.55 0.66 -0.12 1.05 -0.73 0.00 0.00 179.01 180.41 1ap4 h GLU 15 N 1.02 0.00 0.11 1.92 4.11 -1.99 -1.73 114.58 118.03 1ap4 h GLU 15 Ca 0.35 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.77 1ap4 h GLU 15 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1ap4 h GLU 15 CO -0.11 0.12 -0.05 0.37 0.07 0.00 0.00 179.01 179.41 1ap4 h GLN 16 N 0.00 -0.15 -0.22 1.06 5.75 -1.38 -3.15 115.11 117.02 1ap4 h GLN 16 Ca -0.00 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.57 1ap4 h GLN 16 Cb 0.53 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.10 1ap4 h GLN 16 CO 0.02 -0.10 0.17 1.57 -2.65 0.00 0.00 178.83 177.83 1ap4 h LYS 17 N -0.73 0.00 -0.42 1.69 2.10 -1.52 -1.75 116.57 115.94 1ap4 h LYS 17 Ca -0.02 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1ap4 h LYS 17 Cb 0.12 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.42 1ap4 h LYS 17 CO 0.03 0.00 0.27 -0.91 -2.00 0.00 0.00 179.45 176.83 1ap4 h ASN 18 N 0.00 0.45 -0.69 7.07 2.35 -1.40 -1.74 115.58 121.63 1ap4 h ASN 18 Ca 0.11 -0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.90 1ap4 h ASN 18 Cb 0.44 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 1ap4 h ASN 18 CO -0.00 0.32 0.41 -0.08 -1.65 0.00 0.00 177.43 176.43 1ap4 h GLU 19 N 0.54 0.75 0.00 0.81 4.81 -1.27 0.94 114.58 121.16 1ap4 h GLU 19 Ca 0.16 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1ap4 h GLU 19 Cb -0.04 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 1ap4 h GLU 19 CO -0.05 0.49 -0.01 0.74 -0.73 0.00 0.00 179.01 179.46 1ap4 h PHE 20 N 0.77 0.00 0.79 0.92 0.04 -1.38 -3.00 116.94 115.08 1ap4 h PHE 20 Ca 0.29 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.03 1ap4 h PHE 20 Cb 0.11 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.27 1ap4 h PHE 20 CO -0.06 0.01 -0.38 -0.22 -0.60 0.00 0.00 178.31 177.06 1ap4 h LYS 21 N 0.00 -1.03 -0.96 1.51 3.64 0.07 1.20 116.57 121.01 1ap4 h LYS 21 Ca -0.00 0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1ap4 h LYS 21 Cb 0.29 0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 1ap4 h LYS 21 CO 0.00 -0.67 0.63 0.00 -2.27 0.00 0.00 179.45 177.13 1ap4 h ALA 22 N -0.98 1.40 -0.26 5.00 0.00 -1.52 -1.89 119.26 121.01 1ap4 h ALA 22 Ca -0.11 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1ap4 h ALA 22 Cb 0.83 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1ap4 h ALA 22 CO 0.18 0.49 -0.49 0.00 0.00 0.00 0.00 179.25 179.43 1ap4 h ALA 23 N 1.45 0.64 -0.80 0.00 0.00 -1.37 -3.00 119.26 116.18 1ap4 h ALA 23 Ca 0.39 -0.49 0.12 0.00 0.00 0.00 0.00 54.91 54.93 1ap4 h ALA 23 Cb 0.05 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1ap4 h ALA 23 CO -0.13 0.68 0.52 0.35 0.00 0.00 0.00 179.25 180.67 1ap4 h PHE 24 N 0.56 0.72 0.00 0.00 3.04 0.23 0.27 116.94 121.77 1ap4 h PHE 24 Ca 0.03 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1ap4 h PHE 24 Cb 1.05 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.33 1ap4 h PHE 24 CO 0.05 0.31 0.00 -0.44 -2.02 0.00 0.00 178.31 176.21 1ap4 h ASP 25 N 0.65 0.00 0.95 0.41 3.32 -1.34 -2.90 116.42 117.50 1ap4 h ASP 25 Ca 0.38 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.26 1ap4 h ASP 25 Cb 0.59 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1ap4 h ASP 25 CO -0.15 0.00 -1.13 0.40 -1.72 0.00 0.00 179.24 176.64 1ap4 h ILE 26 N 0.00 0.82 0.00 0.35 2.04 -0.50 -3.28 117.51 116.94 1ap4 h ILE 26 Ca 0.00 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.51 1ap4 h ILE 26 Cb 0.51 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1ap4 h ILE 26 CO 0.00 0.47 -0.04 0.49 0.00 0.00 0.00 178.15 179.07 1ap4 n PHE 27 N -3.07 0.11 -0.49 1.37 3.72 -0.97 -3.12 117.46 115.00 1ap4 n PHE 27 Ca -0.06 0.03 0.10 0.00 -0.05 0.00 0.00 57.45 57.47 1ap4 n PHE 27 Cb 0.85 -0.54 0.32 0.00 -0.94 0.00 0.00 39.48 39.17 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 -1.59 1.45 -1.49 -4.37 0.24 -1.20 -4.60 118.33 106.76 1ap4 n VAL 28 Ca 0.07 -1.13 -0.13 0.00 -2.04 0.00 0.00 64.34 61.11 1ap4 n VAL 28 Cb 0.35 0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 32.92 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 1.17 0.74 0.00 1.34 4.77 -1.18 0.24 117.00 124.08 1ap4 n LEU 29 Ca 0.23 -1.75 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 1ap4 n LEU 29 Cb 0.74 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1ap4 n LEU 29 CO 0.19 -2.78 0.00 0.61 -1.33 0.00 0.00 177.39 174.08 1ap4 n GLY 30 N 6.10 0.10 3.76 -0.72 0.00 -1.26 -5.13 105.19 108.04 1ap4 n GLY 30 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.13 1ap4 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ap4 s ALA 31 N -1.03 2.09 0.13 4.61 0.00 0.14 -4.94 121.76 122.76 1ap4 s ALA 31 Ca 0.00 0.17 0.15 0.00 0.00 0.00 0.00 51.96 52.28 1ap4 s ALA 31 Cb 0.00 -3.25 0.38 0.00 0.00 0.00 0.00 23.12 20.25 1ap4 s ALA 31 CO 0.00 -1.90 1.59 1.05 0.00 0.00 0.00 175.76 176.51 1ap4 h GLU 32 N -1.22 0.00 0.00 0.00 4.11 -1.90 -3.39 114.58 112.17 1ap4 h GLU 32 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1ap4 h GLU 32 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1ap4 h GLU 32 CO 0.52 0.53 -0.43 -0.40 0.07 0.00 0.00 179.01 179.31 1ap4 n ASP 33 N -3.51 1.99 0.00 3.06 5.75 -1.26 -5.04 116.55 117.55 1ap4 n ASP 33 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1ap4 n ASP 33 Cb 0.63 0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.87 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 1.81 0.00 3.81 6.12 0.00 -1.26 -5.16 105.19 110.51 1ap4 n GLY 34 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.24 4.31 0.91 0.00 1.01 -1.07 -4.27 121.20 119.85 1ap4 s ILE 36 Ca 0.36 -1.88 -0.10 0.00 0.00 0.00 0.00 60.65 59.02 1ap4 s ILE 36 Cb -0.07 -3.82 0.14 0.00 0.01 0.00 0.00 42.46 38.72 1ap4 s ILE 36 CO 0.25 -0.80 1.11 -1.20 0.00 0.00 0.00 174.94 174.30 1ap4 n SER 37 N 4.79 0.25 -0.11 3.58 7.64 -1.26 -1.03 113.62 127.48 1ap4 n SER 37 Ca -0.06 0.43 -0.10 0.00 1.01 0.00 0.00 58.87 60.15 1ap4 n SER 37 Cb 0.41 -1.47 0.04 0.00 -1.01 0.00 0.00 64.21 62.19 1ap4 n SER 37 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1ap4 h THR 38 N -1.83 1.27 0.00 0.44 1.35 -1.95 -2.75 112.91 109.44 1ap4 h THR 38 Ca -0.43 -1.41 -0.04 0.00 -0.55 0.00 0.00 66.41 63.98 1ap4 h THR 38 Cb 1.27 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 1ap4 h THR 38 CO 0.41 0.47 -0.21 0.50 -0.25 0.00 0.00 175.52 176.45 1ap4 h LYS 39 N 0.73 0.00 -0.64 4.72 3.64 -1.91 -1.69 116.57 121.43 1ap4 h LYS 39 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1ap4 h LYS 39 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1ap4 h LYS 39 CO 0.07 0.21 0.00 -1.91 -2.27 0.00 0.00 179.45 175.55 1ap4 n GLU 40 N -4.06 2.99 -0.07 1.90 2.13 -1.05 -3.98 120.64 118.50 1ap4 n GLU 40 Ca -0.02 -1.91 -0.06 0.00 0.66 0.00 0.00 57.16 55.83 1ap4 n GLU 40 Cb 0.28 -1.76 -0.14 0.00 0.27 0.00 0.00 31.44 30.09 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1ap4 n LEU 41 N 0.58 0.00 0.18 4.31 4.77 -0.63 -4.23 117.00 121.98 1ap4 n LEU 41 Ca 0.17 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.00 1ap4 n LEU 41 Cb 0.69 0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 42.07 1ap4 n LEU 41 CO 0.17 0.36 0.62 1.23 -1.33 0.00 0.00 177.39 178.45 1ap4 h GLY 42 N 3.39 -0.80 1.89 -0.72 0.00 -1.69 0.46 103.07 105.59 1ap4 h GLY 42 Ca -0.40 0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.37 1ap4 h GLY 42 CO 0.02 -0.28 0.05 0.07 0.00 0.00 0.00 176.54 176.39 1ap4 h LYS 43 N -0.69 0.00 0.01 4.80 2.10 -1.82 -2.64 116.57 118.32 1ap4 h LYS 43 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ap4 h LYS 43 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 1ap4 h LYS 43 CO -0.13 0.00 -0.00 0.28 -2.00 0.00 0.00 179.45 177.60 1ap4 h VAL 44 N 0.00 1.42 -1.13 0.07 2.07 -1.11 -3.30 116.25 114.26 1ap4 h VAL 44 Ca 0.01 -2.02 0.38 0.00 0.82 0.00 0.00 66.70 65.89 1ap4 h VAL 44 Cb 0.11 2.65 -0.14 0.00 -1.52 0.00 0.00 31.29 32.40 1ap4 h VAL 44 CO -0.00 0.47 0.69 0.24 0.02 0.00 0.00 177.57 178.99 1ap4 h MET 45 N -0.98 0.18 -0.88 1.57 2.86 0.17 1.09 114.93 118.94 1ap4 h MET 45 Ca -0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ap4 h MET 45 Cb 0.78 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.36 1ap4 h MET 45 CO 0.00 0.12 0.53 0.00 1.06 0.00 0.00 176.91 178.62 1ap4 h ARG 46 N 0.19 1.19 0.45 1.72 3.08 -1.61 0.56 114.38 119.95 1ap4 h ARG 46 Ca 0.77 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.69 1ap4 h ARG 46 Cb 2.10 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.91 1ap4 h ARG 46 CO -0.52 0.83 -0.22 0.52 -1.07 0.00 0.00 179.97 179.52 1ap4 h MET 47 N 1.21 -0.58 0.00 0.04 2.86 0.11 -3.35 114.93 115.22 1ap4 h MET 47 Ca 0.31 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1ap4 h MET 47 Cb -0.05 0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1ap4 h MET 47 CO -0.06 -0.39 0.00 1.28 1.06 0.00 0.00 176.91 178.80 1ap4 n LEU 48 N -4.04 0.00 0.00 1.22 4.77 -0.92 -4.84 117.00 113.19 1ap4 n LEU 48 Ca -0.08 0.86 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 1ap4 n LEU 48 Cb 0.24 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1ap4 n LEU 48 CO 0.18 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 1ap4 n GLY 49 N -0.95 0.00 3.64 -0.72 0.00 -0.52 -5.11 105.19 101.53 1ap4 n GLY 49 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.02 -0.39 1.61 1.11 0.18 -5.00 119.66 119.20 1ap4 s GLN 50 Ca 0.00 -2.24 0.11 0.00 0.01 0.00 0.00 55.36 53.25 1ap4 s GLN 50 Cb 0.00 -1.24 0.39 0.00 -1.01 0.00 0.00 33.01 31.15 1ap4 s GLN 50 CO 0.00 -0.31 1.07 -1.71 0.01 0.00 0.00 175.29 174.35 1ap4 n ASN 51 N -1.16 -0.58 -4.82 5.90 5.15 -1.26 -3.67 115.26 114.82 1ap4 n ASN 51 Ca -0.11 -2.92 -0.31 0.00 -0.60 0.00 0.00 54.58 50.64 1ap4 n ASN 51 Cb 0.66 0.49 0.04 0.00 -0.53 0.00 0.00 39.78 40.45 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 -1.18 3.02 0.50 1.20 0.04 -1.26 -5.07 135.00 132.24 1ap4 s PRO 52 Ca 0.27 0.96 0.09 0.00 0.04 0.00 0.00 61.00 62.36 1ap4 s PRO 52 Cb 0.38 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.97 1ap4 s PRO 52 CO -0.04 -1.04 0.68 0.95 0.04 0.00 0.00 177.00 177.59 1ap4 s THR 53 N -3.00 2.54 0.19 1.26 -4.23 -1.26 -4.91 115.64 106.23 1ap4 s THR 53 Ca 0.58 -1.01 0.23 0.00 -1.18 0.00 0.00 61.69 60.31 1ap4 s THR 53 Cb -0.14 -2.56 0.22 0.00 1.34 0.00 0.00 72.50 71.36 1ap4 s THR 53 CO 0.53 0.00 1.84 1.55 -0.54 0.00 0.00 174.62 178.01 1ap4 h PRO 54 N 0.41 0.00 0.20 3.99 0.13 -1.99 0.01 132.00 134.75 1ap4 h PRO 54 Ca -0.35 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.46 1ap4 h PRO 54 Cb 1.28 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.44 1ap4 h PRO 54 CO 0.43 0.24 -1.53 1.49 -0.23 0.00 0.00 178.00 178.40 1ap4 h GLU 55 N 0.00 0.43 -0.03 0.86 4.22 -2.02 -3.36 114.58 114.68 1ap4 h GLU 55 Ca -0.00 -0.73 -0.25 0.00 0.08 0.00 0.00 59.36 58.45 1ap4 h GLU 55 Cb 0.72 0.27 0.02 0.00 0.50 0.00 0.00 28.75 30.26 1ap4 h GLU 55 CO 0.03 1.35 -0.96 0.93 -2.18 0.00 0.00 179.01 178.18 1ap4 h GLU 56 N 0.03 0.70 -0.20 1.92 5.08 -1.94 -3.23 114.58 116.94 1ap4 h GLU 56 Ca -0.29 -0.72 0.02 0.00 -1.00 0.00 0.00 59.36 57.37 1ap4 h GLU 56 Cb 2.05 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 31.47 1ap4 h GLU 56 CO 0.20 1.30 -0.13 -0.07 -1.00 0.00 0.00 179.01 179.32 1ap4 h LEU 57 N 0.38 -0.46 -1.19 1.33 3.38 -1.13 2.02 115.31 119.64 1ap4 h LEU 57 Ca -0.11 0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.08 1ap4 h LEU 57 Cb 1.62 0.20 -0.08 0.00 0.09 0.00 0.00 40.66 42.49 1ap4 h LEU 57 CO 0.19 -0.05 0.60 -0.61 0.09 0.00 0.00 178.44 178.66 1ap4 h GLN 58 N -0.01 0.72 0.47 1.13 -0.00 -1.71 -1.14 115.11 114.58 1ap4 h GLN 58 Ca 0.03 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.62 1ap4 h GLN 58 Cb 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.41 1ap4 h GLN 58 CO -0.19 0.48 -0.23 1.49 0.00 0.00 0.00 178.83 180.38 1ap4 h GLU 59 N 0.74 -0.61 -0.77 1.69 4.81 -0.19 -0.16 114.58 120.10 1ap4 h GLU 59 Ca 0.49 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.94 1ap4 h GLU 59 Cb 0.76 0.14 -0.13 0.00 0.63 0.00 0.00 28.75 30.15 1ap4 h GLU 59 CO -0.25 -0.41 0.00 1.98 -0.73 0.00 0.00 179.01 179.60 1ap4 h MET 60 N -1.11 0.09 0.00 1.92 4.05 0.32 0.82 114.93 121.02 1ap4 h MET 60 Ca -0.06 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.30 1ap4 h MET 60 Cb 0.48 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 1ap4 h MET 60 CO 0.11 0.06 -0.25 0.82 0.23 0.00 0.00 176.91 177.88 1ap4 h ILE 61 N 0.10 0.61 0.00 1.77 2.04 -1.26 -2.51 117.51 118.25 1ap4 h ILE 61 Ca 0.42 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1ap4 h ILE 61 Cb 0.74 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1ap4 h ILE 61 CO -0.68 0.24 0.00 -0.67 0.00 0.00 0.00 178.15 177.05 1ap4 n ASP 62 N -3.42 0.00 -0.12 1.72 2.03 0.28 -1.78 116.55 115.26 1ap4 n ASP 62 Ca 0.00 -0.52 -0.25 0.00 0.52 0.00 0.00 54.79 54.54 1ap4 n ASP 62 Cb 0.44 -0.08 -0.11 0.00 -0.72 0.00 0.00 41.12 40.65 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 -1.08 0.62 0.15 -0.67 1.02 -0.95 -4.46 120.64 115.28 1ap4 n GLU 63 Ca 0.15 0.28 0.07 0.00 -0.02 0.00 0.00 57.16 57.64 1ap4 n GLU 63 Cb 0.10 -1.56 0.05 0.00 -0.02 0.00 0.00 31.44 30.02 1ap4 n GLU 63 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1ap4 h VAL 64 N -0.64 0.38 -3.03 2.62 3.04 -1.63 -3.42 116.25 113.56 1ap4 h VAL 64 Ca -0.59 -1.57 -0.55 0.00 -1.01 0.00 0.00 66.70 62.98 1ap4 h VAL 64 Cb 1.68 2.07 -0.07 0.00 -2.01 0.00 0.00 31.29 32.96 1ap4 h VAL 64 CO -0.26 0.21 1.00 -0.62 -1.01 0.00 0.00 177.57 176.90 1ap4 s ASP 65 N -6.09 6.38 0.00 3.17 2.15 -0.73 -4.82 116.67 116.72 1ap4 s ASP 65 Ca 0.03 0.02 0.18 0.00 0.43 0.00 0.00 52.55 53.21 1ap4 s ASP 65 Cb 0.07 -2.55 0.36 0.00 -0.30 0.00 0.00 42.92 40.49 1ap4 s ASP 65 CO 0.74 -1.56 1.28 -1.84 -0.17 0.00 0.00 175.17 173.62 1ap4 n GLU 66 N 8.62 2.28 0.00 4.34 0.28 -1.26 -4.30 120.64 130.60 1ap4 n GLU 66 Ca 0.08 -2.07 0.12 0.00 -0.16 0.00 0.00 57.16 55.13 1ap4 n GLU 66 Cb 0.49 -1.40 0.30 0.00 1.43 0.00 0.00 31.44 32.26 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ap4 n ASP 67 N 1.09 0.44 -2.06 -1.84 8.00 -1.26 -4.93 116.55 115.99 1ap4 n ASP 67 Ca 0.15 -0.13 -0.18 0.00 0.71 0.00 0.00 54.79 55.35 1ap4 n ASP 67 Cb 0.50 0.14 -0.01 0.00 -0.02 0.00 0.00 41.12 41.74 1ap4 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ap4 n GLY 68 N 1.49 -0.37 0.11 0.44 0.00 -1.26 -4.88 105.19 100.72 1ap4 n GLY 68 Ca 0.06 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 1ap4 n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ap4 n SER 69 N -1.44 1.26 0.00 1.61 3.41 -1.26 -4.98 113.62 112.22 1ap4 n SER 69 Ca -0.21 0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1ap4 n SER 69 Cb 0.66 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1ap4 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ap4 n GLY 70 N 1.86 0.79 3.23 5.00 0.00 -1.26 -5.06 105.19 109.74 1ap4 n GLY 70 Ca -0.30 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.17 1.52 -0.42 2.61 -4.23 -1.26 -3.79 115.64 107.89 1ap4 s THR 71 Ca 0.00 -1.28 -0.19 0.00 -1.18 0.00 0.00 61.69 59.03 1ap4 s THR 71 Cb 0.00 -1.36 0.02 0.00 1.34 0.00 0.00 72.50 72.50 1ap4 s THR 71 CO 0.00 0.04 0.56 -0.69 -0.54 0.00 0.00 174.62 173.99 1ap4 s VAL 72 N -0.97 4.94 0.48 2.29 1.01 -0.20 -4.89 120.40 123.06 1ap4 s VAL 72 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1ap4 s VAL 72 Cb -0.09 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1ap4 s VAL 72 CO 0.03 -0.49 0.77 -1.81 0.00 0.00 0.00 175.10 173.59 1ap4 s ASP 73 N 1.91 6.07 0.46 3.32 1.01 -1.26 -2.60 116.67 125.58 1ap4 s ASP 73 Ca 0.19 0.74 0.33 0.00 0.71 0.00 0.00 52.55 54.52 1ap4 s ASP 73 Cb -0.15 -2.02 1.45 0.00 1.01 0.00 0.00 42.92 43.22 1ap4 s ASP 73 CO 0.16 -0.66 1.65 0.15 0.21 0.00 0.00 175.17 176.68 1ap4 h PHE 74 N 0.23 0.40 0.24 4.23 3.57 -1.97 1.40 116.94 125.04 1ap4 h PHE 74 Ca -0.47 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1ap4 h PHE 74 Cb 1.22 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.86 1ap4 h PHE 74 CO 0.53 -0.13 -0.11 0.22 -2.23 0.00 0.00 178.31 176.59 1ap4 h ASP 75 N 0.09 -0.27 0.19 0.41 1.82 -2.01 -3.03 116.42 113.62 1ap4 h ASP 75 Ca 0.79 -0.26 -0.15 0.00 -0.39 0.00 0.00 57.03 57.03 1ap4 h ASP 75 Cb 2.63 0.07 -0.01 0.00 0.68 0.00 0.00 39.33 42.70 1ap4 h ASP 75 CO -0.30 0.21 -0.56 -0.33 -1.61 0.00 0.00 179.24 176.64 1ap4 h GLU 76 N -0.86 0.39 -0.72 0.28 5.08 -1.18 -3.04 114.58 114.54 1ap4 h GLU 76 Ca -0.03 -0.25 0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1ap4 h GLU 76 Cb 0.51 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.72 1ap4 h GLU 76 CO 0.05 0.85 0.36 0.35 -1.00 0.00 0.00 179.01 179.62 1ap4 h PHE 77 N 0.30 0.65 0.18 4.33 3.57 0.17 -1.80 116.94 124.33 1ap4 h PHE 77 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1ap4 h PHE 77 Cb 1.08 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1ap4 h PHE 77 CO 0.03 0.23 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.18 1ap4 h LEU 78 N 0.61 -0.21 -1.70 0.59 3.38 -1.49 -3.07 115.31 113.41 1ap4 h LEU 78 Ca 0.36 -0.32 0.34 0.00 0.09 0.00 0.00 57.88 58.35 1ap4 h LEU 78 Cb 0.39 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 1ap4 h LEU 78 CO -0.28 0.27 0.81 0.58 0.09 0.00 0.00 178.44 179.92 1ap4 h VAL 79 N -0.76 0.40 -0.34 1.22 2.07 -1.39 0.26 116.25 117.72 1ap4 h VAL 79 Ca -0.03 -0.05 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1ap4 h VAL 79 Cb 0.51 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1ap4 h VAL 79 CO 0.04 0.03 -0.14 0.24 0.02 0.00 0.00 177.57 177.76 1ap4 h MET 80 N 0.15 0.69 -0.01 1.57 2.86 -1.25 -2.91 114.93 116.04 1ap4 h MET 80 Ca 0.62 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1ap4 h MET 80 Cb 2.08 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.72 1ap4 h MET 80 CO -0.16 0.89 -0.00 0.52 1.06 0.00 0.00 176.91 179.22 1ap4 h MET 81 N 0.47 0.02 0.00 1.72 2.07 -0.46 -2.47 114.93 116.28 1ap4 h MET 81 Ca 0.08 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1ap4 h MET 81 Cb 0.67 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.40 1ap4 h MET 81 CO 0.05 0.40 0.31 -0.24 1.07 0.00 0.00 176.91 178.50 1ap4 h VAL 82 N -0.36 0.00 0.18 -2.22 3.04 -1.32 0.62 116.25 116.18 1ap4 h VAL 82 Ca 0.00 0.00 -0.35 0.00 -1.01 0.00 0.00 66.70 65.34 1ap4 h VAL 82 Cb 0.39 0.63 0.01 0.00 -2.01 0.00 0.00 31.29 30.31 1ap4 h VAL 82 CO 0.00 0.00 -1.74 0.03 -1.01 0.00 0.00 177.57 174.86 1ap4 h ARG 83 N 0.00 0.38 0.00 4.17 3.08 -1.24 -1.97 114.38 118.79 1ap4 h ARG 83 Ca 0.00 -0.64 0.00 0.00 0.07 0.00 0.00 59.98 59.41 1ap4 h ARG 83 Cb 0.63 0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1ap4 h ARG 83 CO 0.00 1.29 0.00 0.00 -1.07 0.00 0.00 179.97 180.19 1ap4 n MET 85 N -1.38 -0.81 -0.56 0.00 0.00 -0.79 -4.72 117.12 108.86 1ap4 n MET 85 Ca 0.08 -0.43 0.46 0.00 0.00 0.00 0.00 57.70 57.81 1ap4 n MET 85 Cb 0.22 -0.93 0.78 0.00 0.00 0.00 0.00 33.22 33.29 1ap4 n MET 85 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 1ap4 h LYS 86 N 0.00 0.02 -7.20 3.17 1.57 -1.27 -3.40 116.57 109.47 1ap4 h LYS 86 Ca 0.00 -0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1ap4 h LYS 86 Cb 0.06 -0.00 0.16 0.00 0.08 0.00 0.00 32.23 32.54 1ap4 h LYS 86 CO 0.00 0.01 0.36 -0.51 -0.57 0.00 0.00 179.45 178.74 1ap4 s ASP 87 N -4.35 3.95 -0.43 0.86 1.11 -1.26 -5.00 116.67 111.54 1ap4 s ASP 87 Ca -0.05 2.32 0.07 0.00 0.18 0.00 0.00 52.55 55.07 1ap4 s ASP 87 Cb 0.26 -2.58 0.25 0.00 1.07 0.00 0.00 42.92 41.92 1ap4 s ASP 87 CO 0.86 -2.42 0.70 -0.67 1.18 0.00 0.00 175.17 174.82 1ap4 n ASP 88 N -3.02 -1.21 0.00 0.27 2.03 -1.26 -5.16 116.55 108.19 1ap4 n ASP 88 Ca 0.13 -2.99 0.00 0.00 0.52 0.00 0.00 54.79 52.45 1ap4 n ASP 88 Cb 0.51 0.50 0.00 0.00 -0.72 0.00 0.00 41.12 41.41 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08