#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 3.60 -0.30 7.83 1.01 -1.26 -5.07 116.67 122.48 1ap4 s ASP 2 Ca 0.00 -0.46 -0.12 0.00 0.71 0.00 0.00 52.55 52.68 1ap4 s ASP 2 Cb 0.00 -1.53 0.18 0.00 1.01 0.00 0.00 42.92 42.57 1ap4 s ASP 2 CO 0.00 0.12 1.05 1.51 0.21 0.00 0.00 175.17 178.07 1ap4 s ASP 3 N 0.58 -0.44 0.00 0.27 -4.77 -1.26 -5.04 116.67 106.01 1ap4 s ASP 3 Ca -0.10 0.19 0.00 0.00 -3.30 0.00 0.00 52.55 49.34 1ap4 s ASP 3 Cb -0.16 1.34 0.00 0.00 -1.09 0.00 0.00 42.92 43.01 1ap4 s ASP 3 CO 0.03 -0.08 0.00 2.30 0.70 0.00 0.00 175.17 178.12 1ap4 n ILE 4 N 5.36 0.00 0.03 2.11 -5.35 -1.26 -4.76 119.36 115.50 1ap4 n ILE 4 Ca -0.02 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.32 1ap4 n ILE 4 Cb 0.55 -0.20 -0.14 0.00 -1.74 0.00 0.00 39.64 38.12 1ap4 n ILE 4 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 1ap4 h TYR 5 N 0.00 0.30 -0.59 4.28 0.05 -1.99 -3.21 116.97 115.82 1ap4 h TYR 5 Ca 0.00 -0.22 0.03 0.00 0.05 0.00 0.00 58.73 58.59 1ap4 h TYR 5 Cb 0.33 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 1ap4 h TYR 5 CO 0.00 1.31 0.39 1.57 -1.05 0.00 0.00 178.16 180.37 1ap4 h LYS 6 N 0.04 0.69 -0.08 4.88 2.10 -1.98 -1.35 116.57 120.87 1ap4 h LYS 6 Ca -0.26 -0.04 -0.20 0.00 -2.00 0.00 0.00 60.65 58.15 1ap4 h LYS 6 Cb 2.00 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 33.17 1ap4 h LYS 6 CO 0.13 0.46 -0.78 0.00 -2.00 0.00 0.00 179.45 177.26 1ap4 h ALA 7 N 1.65 0.49 -0.60 0.07 0.00 -1.86 -3.21 119.26 115.81 1ap4 h ALA 7 Ca 0.23 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1ap4 h ALA 7 Cb 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1ap4 h ALA 7 CO -0.06 0.75 0.27 0.00 0.00 0.00 0.00 179.25 180.21 1ap4 h ALA 8 N 0.81 0.77 -0.97 0.00 0.00 -1.28 -2.27 119.26 116.31 1ap4 h ALA 8 Ca -0.04 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 54.92 1ap4 h ALA 8 Cb 1.37 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1ap4 h ALA 8 CO 0.14 0.36 0.62 0.28 0.00 0.00 0.00 179.25 180.64 1ap4 h VAL 9 N 0.82 0.69 -0.00 0.00 2.07 -1.30 0.78 116.25 119.31 1ap4 h VAL 9 Ca 0.20 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1ap4 h VAL 9 Cb 0.15 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1ap4 h VAL 9 CO -0.02 0.11 -0.13 1.21 0.02 0.00 0.00 177.57 178.76 1ap4 n GLU 10 N -4.65 0.33 0.03 1.57 2.13 -0.90 -3.59 120.64 115.56 1ap4 n GLU 10 Ca 0.22 -0.09 -0.10 0.00 0.66 0.00 0.00 57.16 57.85 1ap4 n GLU 10 Cb 0.64 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.72 1ap4 n GLU 10 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1ap4 h GLN 11 N 0.22 0.07 -6.16 5.31 4.20 0.10 -3.47 115.11 115.38 1ap4 h GLN 11 Ca 0.00 -0.11 -0.61 0.00 0.06 0.00 0.00 58.65 57.99 1ap4 h GLN 11 Cb 0.41 0.04 0.16 0.00 0.30 0.00 0.00 27.48 28.39 1ap4 h GLN 11 CO 0.00 0.85 -0.74 1.28 -0.67 0.00 0.00 178.83 179.55 1ap4 n LEU 12 N -3.27 -1.69 -4.90 1.46 4.77 -0.97 -4.93 117.00 107.48 1ap4 n LEU 12 Ca -0.10 0.81 -0.28 0.00 -0.03 0.00 0.00 56.01 56.41 1ap4 n LEU 12 Cb 1.01 -0.98 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1ap4 n LEU 12 CO 0.47 -3.74 0.46 0.42 -1.33 0.00 0.00 177.39 173.67 1ap4 s THR 13 N -1.66 4.90 0.07 -5.08 -4.23 -1.26 -4.91 115.64 103.47 1ap4 s THR 13 Ca 0.61 0.25 -0.37 0.00 -1.18 0.00 0.00 61.69 61.00 1ap4 s THR 13 Cb -0.59 -3.86 -0.20 0.00 1.34 0.00 0.00 72.50 69.19 1ap4 s THR 13 CO 0.61 -0.87 1.58 -0.33 -0.54 0.00 0.00 174.62 175.07 1ap4 h GLU 14 N 0.20 -1.18 -1.47 3.99 5.08 -1.98 -1.55 114.58 117.66 1ap4 h GLU 14 Ca -0.47 0.08 0.45 0.00 -1.00 0.00 0.00 59.36 58.42 1ap4 h GLU 14 Cb 1.20 0.27 -0.10 0.00 0.50 0.00 0.00 28.75 30.63 1ap4 h GLU 14 CO 0.62 -0.79 1.01 1.05 -1.00 0.00 0.00 179.01 179.90 1ap4 h GLU 15 N -1.23 0.07 0.12 2.33 -0.00 -1.98 0.49 114.58 114.37 1ap4 h GLU 15 Ca -0.12 -0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.24 1ap4 h GLU 15 Cb 0.97 -0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.70 1ap4 h GLU 15 CO 0.15 0.04 -0.06 0.37 -0.00 0.00 0.00 179.01 179.52 1ap4 h GLN 16 N 0.07 -0.16 -0.12 1.06 4.15 -1.73 -3.05 115.11 115.34 1ap4 h GLN 16 Ca 0.79 0.01 0.03 0.00 0.77 0.00 0.00 58.65 60.26 1ap4 h GLN 16 Cb 2.80 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 30.52 1ap4 h GLN 16 CO -0.22 -0.10 0.28 0.87 -1.93 0.00 0.00 178.83 177.73 1ap4 h LYS 17 N -0.45 0.00 -0.14 1.69 1.57 -0.36 -0.96 116.57 117.93 1ap4 h LYS 17 Ca -0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1ap4 h LYS 17 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1ap4 h LYS 17 CO 0.03 0.00 -0.03 -0.91 -0.57 0.00 0.00 179.45 177.97 1ap4 h ASN 18 N 0.00 0.26 -0.25 0.86 2.35 -0.09 -1.11 115.58 117.60 1ap4 h ASN 18 Ca 0.06 -0.36 -0.17 0.00 -0.55 0.00 0.00 56.30 55.27 1ap4 h ASN 18 Cb 0.62 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1ap4 h ASN 18 CO -0.00 0.57 -0.52 -0.33 -1.65 0.00 0.00 177.43 175.49 1ap4 h GLU 19 N -0.04 0.80 0.00 0.81 5.08 -1.08 -2.95 114.58 117.19 1ap4 h GLU 19 Ca 0.03 -0.52 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 1ap4 h GLU 19 Cb 0.45 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ap4 h GLU 19 CO 0.01 1.15 -0.11 0.74 -1.00 0.00 0.00 179.01 179.80 1ap4 h PHE 20 N 0.55 0.00 -0.36 4.33 -1.00 -1.40 -2.46 116.94 116.60 1ap4 h PHE 20 Ca 0.01 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.68 1ap4 h PHE 20 Cb 1.13 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.68 1ap4 h PHE 20 CO 0.08 0.11 -0.19 -0.22 -1.61 0.00 0.00 178.31 176.48 1ap4 h LYS 21 N 0.00 0.69 0.43 1.51 3.64 -1.02 -1.62 116.57 120.21 1ap4 h LYS 21 Ca -0.00 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 1ap4 h LYS 21 Cb 0.34 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1ap4 h LYS 21 CO 0.01 0.84 -0.21 0.00 -2.27 0.00 0.00 179.45 177.82 1ap4 h ALA 22 N 1.18 -0.58 -0.92 5.00 0.00 -1.47 -3.10 119.26 119.35 1ap4 h ALA 22 Ca 0.09 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 55.01 1ap4 h ALA 22 Cb 0.66 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 1ap4 h ALA 22 CO 0.05 -0.58 0.59 0.00 0.00 0.00 0.00 179.25 179.31 1ap4 h ALA 23 N -0.90 1.90 -0.19 0.00 0.00 -1.58 -1.43 119.26 117.04 1ap4 h ALA 23 Ca -0.06 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1ap4 h ALA 23 Cb 0.53 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1ap4 h ALA 23 CO 0.10 -0.18 -0.21 0.35 0.00 0.00 0.00 179.25 179.30 1ap4 h PHE 24 N 0.64 -0.56 0.00 0.00 3.57 -1.27 0.32 116.94 119.63 1ap4 h PHE 24 Ca 0.48 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.02 1ap4 h PHE 24 Cb 0.88 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1ap4 h PHE 24 CO -0.00 -0.29 0.00 -0.25 -2.23 0.00 0.00 178.31 175.53 1ap4 n ASP 25 N -5.36 0.58 0.05 0.41 9.92 -0.56 -1.73 116.55 119.87 1ap4 n ASP 25 Ca -0.02 0.71 -0.01 0.00 -0.53 0.00 0.00 54.79 54.94 1ap4 n ASP 25 Cb 0.27 -0.81 -0.07 0.00 -0.64 0.00 0.00 41.12 39.87 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 0.73 0.00 0.53 2.04 -0.17 -3.31 117.51 117.34 1ap4 h ILE 26 Ca 0.00 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.59 1ap4 h ILE 26 Cb 0.15 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1ap4 h ILE 26 CO 0.00 0.42 -0.26 0.49 0.00 0.00 0.00 178.15 178.80 1ap4 n PHE 27 N -3.02 0.12 -0.23 1.37 3.72 -0.56 -3.42 117.46 115.44 1ap4 n PHE 27 Ca -0.07 0.03 0.10 0.00 -0.05 0.00 0.00 57.45 57.46 1ap4 n PHE 27 Cb 0.86 -0.45 0.31 0.00 -0.94 0.00 0.00 39.48 39.26 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 -1.61 1.23 0.32 -4.37 0.24 -1.15 -4.35 118.33 108.65 1ap4 n VAL 28 Ca 0.06 -0.96 0.20 0.00 -2.04 0.00 0.00 64.34 61.60 1ap4 n VAL 28 Cb 0.35 0.28 1.11 0.00 -1.47 0.00 0.00 33.84 34.11 1ap4 n VAL 28 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ap4 h LEU 29 N 3.80 0.00 0.00 1.34 -0.00 -1.70 0.04 115.31 118.78 1ap4 h LEU 29 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 1ap4 h LEU 29 Cb 1.09 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.74 1ap4 h LEU 29 CO 0.10 0.00 -1.21 0.61 -0.00 0.00 0.00 178.44 177.93 1ap4 n GLY 30 N -1.16 -1.36 3.81 0.83 0.00 -1.26 -4.92 105.19 101.13 1ap4 n GLY 30 Ca -0.03 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.29 2.18 -0.05 4.61 0.00 -0.00 -4.99 121.76 120.21 1ap4 s ALA 31 Ca -0.02 -0.32 0.10 0.00 0.00 0.00 0.00 51.96 51.72 1ap4 s ALA 31 Cb 0.10 -3.08 -0.15 0.00 0.00 0.00 0.00 23.12 19.99 1ap4 s ALA 31 CO 0.81 -1.84 0.24 -0.85 0.00 0.00 0.00 175.76 174.12 1ap4 n GLU 32 N -3.49 0.61 -0.00 0.00 0.28 -1.26 -4.53 120.64 112.24 1ap4 n GLU 32 Ca 0.07 -0.08 0.06 0.00 -0.16 0.00 0.00 57.16 57.04 1ap4 n GLU 32 Cb 0.57 -1.22 -0.08 0.00 1.43 0.00 0.00 31.44 32.15 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1ap4 n ASP 33 N -1.80 0.95 0.00 -1.84 5.68 -1.26 -5.03 116.55 113.26 1ap4 n ASP 33 Ca -0.02 -0.60 0.00 0.00 -0.50 0.00 0.00 54.79 53.68 1ap4 n ASP 33 Cb 0.25 1.14 0.00 0.00 -1.14 0.00 0.00 41.12 41.37 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 1.41 0.76 3.23 6.12 0.00 -1.26 -5.15 105.19 110.29 1ap4 n GLY 34 Ca 0.01 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 1ap4 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ap4 n ILE 36 N 0.34 4.57 -1.59 0.00 5.41 0.34 -3.80 119.36 124.63 1ap4 n ILE 36 Ca -0.17 -5.56 -0.59 0.00 1.00 0.00 0.00 62.75 57.42 1ap4 n ILE 36 Cb 0.61 -2.34 -0.08 0.00 -0.71 0.00 0.00 39.64 37.12 1ap4 n ILE 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1ap4 n SER 37 N 2.00 0.80 0.11 4.38 2.88 -1.26 -2.76 113.62 119.77 1ap4 n SER 37 Ca 0.25 1.15 0.18 0.00 -1.33 0.00 0.00 58.87 59.12 1ap4 n SER 37 Cb 0.37 -0.99 0.56 0.00 -0.75 0.00 0.00 64.21 63.39 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 3.67 0.12 -0.03 2.46 1.03 -1.92 0.82 112.91 119.06 1ap4 h THR 38 Ca -0.48 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 65.79 1ap4 h THR 38 Cb 1.39 0.37 -0.02 0.00 -1.07 0.00 0.00 68.15 68.82 1ap4 h THR 38 CO 0.77 0.00 -0.58 0.50 -0.01 0.00 0.00 175.52 176.20 1ap4 h LYS 39 N 0.00 0.09 -1.00 0.00 3.11 -1.88 -3.00 116.57 113.88 1ap4 h LYS 39 Ca 0.19 -0.06 -0.51 0.00 -2.81 0.00 0.00 60.65 57.47 1ap4 h LYS 39 Cb 1.63 0.01 -0.30 0.00 -1.00 0.00 0.00 32.23 32.56 1ap4 h LYS 39 CO -0.00 0.65 0.64 0.39 -2.81 0.00 0.00 179.45 178.32 1ap4 n GLU 40 N -3.86 2.22 -0.05 1.90 1.02 0.28 -4.25 120.64 117.89 1ap4 n GLU 40 Ca -0.02 -2.93 -0.05 0.00 -0.02 0.00 0.00 57.16 54.15 1ap4 n GLU 40 Cb 0.59 -2.15 -0.08 0.00 -0.02 0.00 0.00 31.44 29.78 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ap4 n LEU 41 N -1.10 0.00 0.08 -4.62 4.77 -1.13 -4.22 117.00 110.77 1ap4 n LEU 41 Ca 0.58 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.44 1ap4 n LEU 41 Cb 1.65 0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 42.92 1ap4 n LEU 41 CO 0.59 0.26 0.51 1.23 -1.33 0.00 0.00 177.39 178.65 1ap4 h GLY 42 N 2.12 -1.18 1.80 -0.72 0.00 -1.74 0.46 103.07 103.81 1ap4 h GLY 42 Ca -0.28 0.63 0.01 0.00 0.00 0.00 0.00 47.33 47.68 1ap4 h GLY 42 CO 0.02 -0.31 0.11 0.50 0.00 0.00 0.00 176.54 176.85 1ap4 h LYS 43 N -0.56 0.16 0.34 4.80 1.57 -1.87 -2.59 116.57 118.43 1ap4 h LYS 43 Ca -0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1ap4 h LYS 43 Cb 0.57 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1ap4 h LYS 43 CO -0.23 0.11 -0.16 0.28 -0.57 0.00 0.00 179.45 178.87 1ap4 h VAL 44 N 0.16 0.67 -1.20 0.50 2.07 -1.17 -2.43 116.25 114.86 1ap4 h VAL 44 Ca 0.06 -0.35 0.34 0.00 0.82 0.00 0.00 66.70 67.58 1ap4 h VAL 44 Cb 0.05 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 1ap4 h VAL 44 CO -0.01 0.07 0.84 0.24 0.02 0.00 0.00 177.57 178.73 1ap4 h MET 45 N -0.66 0.08 -0.22 1.57 2.86 0.23 0.38 114.93 119.18 1ap4 h MET 45 Ca -0.05 -0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.44 1ap4 h MET 45 Cb 0.47 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1ap4 h MET 45 CO 0.08 0.05 -0.46 0.00 1.06 0.00 0.00 176.91 177.64 1ap4 h ARG 46 N 0.08 0.70 -0.12 1.72 3.08 -1.36 1.16 114.38 119.64 1ap4 h ARG 46 Ca 0.60 -0.46 0.03 0.00 0.07 0.00 0.00 59.98 60.22 1ap4 h ARG 46 Cb 2.19 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 32.27 1ap4 h ARG 46 CO -0.09 1.08 -0.07 0.52 -1.07 0.00 0.00 179.97 180.34 1ap4 h MET 47 N 0.41 -0.07 -0.09 0.04 2.86 0.11 -1.30 114.93 116.89 1ap4 h MET 47 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1ap4 h MET 47 Cb 1.06 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1ap4 h MET 47 CO 0.10 -0.05 0.01 -0.07 1.06 0.00 0.00 176.91 177.96 1ap4 h LEU 48 N -0.07 0.11 0.00 1.22 3.38 -1.49 -3.45 115.31 115.00 1ap4 h LEU 48 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ap4 h LEU 48 Cb 0.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ap4 h LEU 48 CO -0.17 0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1ap4 n GLY 49 N -1.38 1.50 3.83 0.83 0.00 -0.49 -5.13 105.19 104.34 1ap4 n GLY 49 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 2.29 -0.43 1.61 -0.21 0.40 -4.96 119.66 118.35 1ap4 s GLN 50 Ca 0.00 -1.91 0.08 0.00 0.02 0.00 0.00 55.36 53.55 1ap4 s GLN 50 Cb 0.00 -2.05 0.30 0.00 1.00 0.00 0.00 33.01 32.25 1ap4 s GLN 50 CO 0.00 -0.34 0.86 0.09 -2.12 0.00 0.00 175.29 173.78 1ap4 n ASN 51 N -1.50 -1.17 -4.79 5.90 3.02 -1.26 -3.16 115.26 112.30 1ap4 n ASN 51 Ca -0.02 -3.26 -0.30 0.00 -0.03 0.00 0.00 54.58 50.98 1ap4 n ASN 51 Cb 0.64 0.78 0.10 0.00 -0.61 0.00 0.00 39.78 40.69 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ap4 s PRO 52 N -0.62 1.86 0.70 3.52 0.04 -1.26 -5.06 135.00 134.18 1ap4 s PRO 52 Ca 0.31 0.59 -0.02 0.00 0.04 0.00 0.00 61.00 61.93 1ap4 s PRO 52 Cb 0.27 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 33.02 1ap4 s PRO 52 CO -0.11 -1.77 0.97 0.95 0.04 0.00 0.00 177.00 177.08 1ap4 s THR 53 N -3.16 2.23 0.21 1.26 -4.23 -1.26 -4.98 115.64 105.71 1ap4 s THR 53 Ca 0.61 -0.55 0.17 0.00 -1.18 0.00 0.00 61.69 60.75 1ap4 s THR 53 Cb -0.15 -2.68 0.11 0.00 1.34 0.00 0.00 72.50 71.12 1ap4 s THR 53 CO 0.54 0.00 1.73 1.55 -0.54 0.00 0.00 174.62 177.91 1ap4 h PRO 54 N -0.48 0.00 0.17 3.99 0.13 -2.01 -3.00 132.00 130.81 1ap4 h PRO 54 Ca -0.38 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.44 1ap4 h PRO 54 Cb 1.27 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1ap4 h PRO 54 CO 0.44 0.40 -1.50 1.49 -0.23 0.00 0.00 178.00 178.60 1ap4 h GLU 55 N 0.00 0.37 0.00 0.86 4.22 -2.02 -3.31 114.58 114.70 1ap4 h GLU 55 Ca -0.00 -0.63 -0.01 0.00 0.08 0.00 0.00 59.36 58.80 1ap4 h GLU 55 Cb 0.89 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 1ap4 h GLU 55 CO 0.05 1.30 -0.03 0.93 -2.18 0.00 0.00 179.01 179.08 1ap4 h GLU 56 N -0.06 0.00 0.00 1.92 4.39 -1.94 -2.75 114.58 116.14 1ap4 h GLU 56 Ca -0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1ap4 h GLU 56 Cb 1.96 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.61 1ap4 h GLU 56 CO 0.16 0.03 0.00 1.28 -1.16 0.00 0.00 179.01 179.32 1ap4 n LEU 57 N -3.63 0.00 0.07 1.33 4.77 -1.13 -1.02 117.00 117.39 1ap4 n LEU 57 Ca -0.03 0.90 0.06 0.00 -0.03 0.00 0.00 56.01 56.91 1ap4 n LEU 57 Cb 0.12 -0.40 0.29 0.00 -2.33 0.00 0.00 43.42 41.10 1ap4 n LEU 57 CO 0.27 -0.40 0.67 1.67 -1.33 0.00 0.00 177.39 178.26 1ap4 n GLN 58 N -1.79 0.07 -0.01 3.23 -0.06 -1.21 -2.76 117.38 114.84 1ap4 n GLN 58 Ca 0.00 0.54 -0.03 0.00 -2.00 0.00 0.00 57.00 55.51 1ap4 n GLN 58 Cb 0.00 -1.71 -0.02 0.00 -4.06 0.00 0.00 30.24 24.45 1ap4 n GLN 58 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1ap4 h GLU 59 N 0.00 -0.08 0.00 3.69 4.81 -1.12 -1.39 114.58 120.48 1ap4 h GLU 59 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1ap4 h GLU 59 Cb 0.04 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1ap4 h GLU 59 CO 0.00 0.03 0.00 0.00 -0.73 0.00 0.00 179.01 178.31 1ap4 n MET 60 N -4.83 0.15 -0.07 1.92 0.00 -0.19 -2.42 117.12 111.68 1ap4 n MET 60 Ca -0.02 0.60 -0.22 0.00 0.00 0.00 0.00 57.70 58.06 1ap4 n MET 60 Cb 0.07 -1.93 -0.12 0.00 0.00 0.00 0.00 33.22 31.24 1ap4 n MET 60 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1ap4 n ILE 61 N -2.24 1.62 0.20 3.17 5.41 -1.11 -3.72 119.36 122.69 1ap4 n ILE 61 Ca -0.01 -0.46 0.11 0.00 1.00 0.00 0.00 62.75 63.39 1ap4 n ILE 61 Cb 0.07 -1.75 0.55 0.00 -0.71 0.00 0.00 39.64 37.80 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 -3.75 0.56 0.05 4.38 -0.08 -0.53 0.99 116.55 118.17 1ap4 n ASP 62 Ca -0.39 0.74 0.10 0.00 -1.51 0.00 0.00 54.79 53.73 1ap4 n ASP 62 Cb 0.93 -0.82 -0.08 0.00 2.34 0.00 0.00 41.12 43.49 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 -2.22 0.63 -0.00 -0.67 -0.58 -1.10 -4.29 120.64 112.40 1ap4 n GLU 63 Ca -0.01 -0.01 0.03 0.00 -0.42 0.00 0.00 57.16 56.76 1ap4 n GLU 63 Cb 0.07 -1.69 -0.04 0.00 -0.57 0.00 0.00 31.44 29.21 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 -2.52 0.00 -2.72 2.62 3.14 -0.34 -4.81 118.33 113.70 1ap4 n VAL 64 Ca -0.03 -0.32 -0.43 0.00 -2.96 0.00 0.00 64.34 60.59 1ap4 n VAL 64 Cb 0.59 0.92 0.00 0.00 -1.06 0.00 0.00 33.84 34.30 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 -1.22 5.10 0.09 6.55 2.03 0.28 -4.75 116.55 124.62 1ap4 n ASP 65 Ca 0.01 -2.99 0.11 0.00 0.52 0.00 0.00 54.79 52.44 1ap4 n ASP 65 Cb 0.11 -1.59 0.44 0.00 -0.72 0.00 0.00 41.12 39.36 1ap4 n ASP 65 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1ap4 n GLU 66 N 5.76 0.13 0.00 -0.67 0.28 -1.26 -2.14 120.64 122.75 1ap4 n GLU 66 Ca 0.40 0.34 0.14 0.00 -0.16 0.00 0.00 57.16 57.89 1ap4 n GLU 66 Cb 0.42 -1.74 0.60 0.00 1.43 0.00 0.00 31.44 32.15 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 -1.99 0.63 -2.56 -1.84 5.75 -1.26 -4.89 116.55 110.39 1ap4 n ASP 67 Ca 0.03 -0.78 -0.07 0.00 -0.01 0.00 0.00 54.79 53.95 1ap4 n ASP 67 Cb 0.23 -0.03 -0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 1.24 -0.50 0.20 6.12 0.00 -0.91 -4.75 105.19 106.60 1ap4 n GLY 68 Ca 0.16 0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.07 0.00 0.00 1.61 4.64 -1.90 -3.46 113.55 114.37 1ap4 h SER 69 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1ap4 h SER 69 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1ap4 h SER 69 CO 0.19 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 177.05 1ap4 n GLY 70 N 0.64 0.94 3.35 -0.77 0.00 -1.26 -5.03 105.19 103.05 1ap4 n GLY 70 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.34 1.81 -0.12 2.61 -4.23 -1.26 -3.79 115.64 108.32 1ap4 s THR 71 Ca 0.00 -2.10 -0.03 0.00 -1.18 0.00 0.00 61.69 58.38 1ap4 s THR 71 Cb 0.00 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 1ap4 s THR 71 CO 0.00 -0.47 0.00 -0.69 -0.54 0.00 0.00 174.62 172.92 1ap4 s VAL 72 N -2.56 4.27 0.51 2.29 1.01 -1.11 -4.89 120.40 119.92 1ap4 s VAL 72 Ca 0.20 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1ap4 s VAL 72 Cb -0.03 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1ap4 s VAL 72 CO 0.07 0.55 0.06 1.51 0.00 0.00 0.00 175.10 177.29 1ap4 s ASP 73 N -0.34 4.19 0.61 3.32 -4.77 -1.26 -0.50 116.67 117.93 1ap4 s ASP 73 Ca 0.07 -1.58 0.29 0.00 -3.30 0.00 0.00 52.55 48.03 1ap4 s ASP 73 Cb -0.12 0.46 1.53 0.00 -1.09 0.00 0.00 42.92 43.69 1ap4 s ASP 73 CO 0.02 -0.87 1.92 0.15 0.70 0.00 0.00 175.17 177.09 1ap4 h PHE 74 N 1.29 0.00 0.06 2.11 3.57 -1.96 2.15 116.94 124.15 1ap4 h PHE 74 Ca -0.43 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 1ap4 h PHE 74 Cb 1.31 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1ap4 h PHE 74 CO 1.41 0.00 -0.03 -0.44 -2.23 0.00 0.00 178.31 177.02 1ap4 h ASP 75 N 0.00 -0.07 0.70 0.41 5.19 -2.01 -3.24 116.42 117.40 1ap4 h ASP 75 Ca 0.14 -0.56 -0.26 0.00 -0.62 0.00 0.00 57.03 55.73 1ap4 h ASP 75 Cb 0.97 0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.46 1ap4 h ASP 75 CO -0.00 0.61 -1.41 -0.33 -3.12 0.00 0.00 179.24 174.99 1ap4 h GLU 76 N -0.86 0.01 -0.81 3.56 5.08 -1.64 -3.24 114.58 116.69 1ap4 h GLU 76 Ca -0.01 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1ap4 h GLU 76 Cb 0.62 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 1ap4 h GLU 76 CO 0.01 0.73 0.44 0.35 -1.00 0.00 0.00 179.01 179.55 1ap4 h PHE 77 N 0.00 0.80 0.05 4.33 3.57 0.33 -1.35 116.94 124.67 1ap4 h PHE 77 Ca -0.17 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 1ap4 h PHE 77 Cb 1.91 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.42 1ap4 h PHE 77 CO 0.00 0.30 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.28 1ap4 h LEU 78 N 0.73 -0.06 -1.85 0.59 3.38 -1.68 -3.06 115.31 113.36 1ap4 h LEU 78 Ca 0.40 -0.58 0.27 0.00 0.09 0.00 0.00 57.88 58.06 1ap4 h LEU 78 Cb 0.41 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1ap4 h LEU 78 CO -0.27 0.61 0.79 0.58 0.09 0.00 0.00 178.44 180.25 1ap4 h VAL 79 N -0.80 0.33 0.01 1.22 2.07 -1.52 0.15 116.25 117.70 1ap4 h VAL 79 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1ap4 h VAL 79 Cb 0.64 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1ap4 h VAL 79 CO 0.01 0.00 -0.00 0.24 0.02 0.00 0.00 177.57 177.84 1ap4 h MET 80 N 0.00 -0.01 0.33 1.57 2.86 -1.19 -2.62 114.93 115.87 1ap4 h MET 80 Ca 0.45 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.08 1ap4 h MET 80 Cb 2.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.67 1ap4 h MET 80 CO -0.00 0.62 -0.31 0.52 1.06 0.00 0.00 176.91 178.79 1ap4 h MET 81 N -0.64 -0.64 -0.93 1.72 2.07 -0.64 -0.80 114.93 115.07 1ap4 h MET 81 Ca -0.00 0.04 0.24 0.00 -2.07 0.00 0.00 59.70 57.91 1ap4 h MET 81 Cb 0.63 0.15 -0.06 0.00 -1.87 0.00 0.00 31.60 30.45 1ap4 h MET 81 CO 0.00 -0.43 0.63 -0.24 1.07 0.00 0.00 176.91 177.95 1ap4 h VAL 82 N -0.66 0.60 0.00 -2.22 3.04 -1.43 0.90 116.25 116.47 1ap4 h VAL 82 Ca -0.02 -0.08 -0.03 0.00 -1.01 0.00 0.00 66.70 65.56 1ap4 h VAL 82 Cb 0.60 0.35 -0.00 0.00 -2.01 0.00 0.00 31.29 30.23 1ap4 h VAL 82 CO -0.05 0.04 -0.14 0.03 -1.01 0.00 0.00 177.57 176.45 1ap4 h ARG 83 N 0.22 0.00 0.00 4.17 3.08 -0.79 -2.84 114.38 118.22 1ap4 h ARG 83 Ca 0.47 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.40 1ap4 h ARG 83 Cb 1.47 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.50 1ap4 h ARG 83 CO -0.12 0.14 -1.66 0.00 -1.07 0.00 0.00 179.97 177.26 1ap4 n MET 85 N -2.64 3.18 -4.00 0.00 0.00 0.43 -4.89 117.12 109.19 1ap4 n MET 85 Ca -0.10 -3.05 -0.34 0.00 0.00 0.00 0.00 57.70 54.21 1ap4 n MET 85 Cb 0.76 -2.06 -0.15 0.00 0.00 0.00 0.00 33.22 31.77 1ap4 n MET 85 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1ap4 s LYS 86 N -3.01 2.71 -0.38 3.17 1.02 -1.08 -4.97 119.74 117.19 1ap4 s LYS 86 Ca 0.51 -1.05 0.03 0.00 0.02 0.00 0.00 55.97 55.47 1ap4 s LYS 86 Cb 0.41 -2.92 0.30 0.00 -0.52 0.00 0.00 37.83 35.10 1ap4 s LYS 86 CO 0.10 -0.42 1.21 -0.40 -0.92 0.00 0.00 175.35 174.91 1ap4 n ASP 87 N 4.61 -1.78 -0.02 2.83 5.75 -1.26 -5.00 116.55 121.68 1ap4 n ASP 87 Ca -0.16 -2.48 -0.02 0.00 -0.01 0.00 0.00 54.79 52.12 1ap4 n ASP 87 Cb 0.46 1.31 -0.01 0.00 -1.03 0.00 0.00 41.12 41.86 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1ap4 n ASP 88 N 0.96 0.44 0.00 -1.12 -0.08 -1.26 -5.28 116.55 110.20 1ap4 n ASP 88 Ca 0.01 0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 1ap4 n ASP 88 Cb 0.71 -0.56 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1ap4 n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08