#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 4.71 -0.30 7.83 2.15 -1.26 -5.07 116.67 124.73 1ap4 s ASP 2 Ca 0.00 1.10 -0.18 0.00 0.43 0.00 0.00 52.55 53.90 1ap4 s ASP 2 Cb 0.00 -1.78 0.18 0.00 -0.30 0.00 0.00 42.92 41.02 1ap4 s ASP 2 CO 0.00 -1.81 1.21 1.51 -0.17 0.00 0.00 175.17 175.91 1ap4 s ASP 3 N -4.22 -0.18 0.13 -0.34 -4.77 -1.26 -5.08 116.67 100.95 1ap4 s ASP 3 Ca 0.60 0.19 0.00 0.00 -3.30 0.00 0.00 52.55 50.05 1ap4 s ASP 3 Cb -0.13 1.18 0.00 0.00 -1.09 0.00 0.00 42.92 42.89 1ap4 s ASP 3 CO 0.52 -0.03 0.00 -0.38 0.70 0.00 0.00 175.17 175.98 1ap4 n ILE 4 N 4.95 0.00 0.21 2.11 5.41 -1.26 -4.85 119.36 125.94 1ap4 n ILE 4 Ca -0.08 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.76 1ap4 n ILE 4 Cb 0.55 -0.29 0.44 0.00 -0.71 0.00 0.00 39.64 39.63 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 0.00 -0.09 1.39 0.05 -2.01 -3.01 116.97 113.30 1ap4 h TYR 5 Ca 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.58 1ap4 h TYR 5 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1ap4 h TYR 5 CO 0.00 0.26 -0.76 1.57 -1.05 0.00 0.00 178.16 178.18 1ap4 h LYS 6 N 0.00 0.50 -0.16 4.88 2.10 -1.98 -2.92 116.57 118.98 1ap4 h LYS 6 Ca -0.00 -0.42 -0.02 0.00 -2.00 0.00 0.00 60.65 58.21 1ap4 h LYS 6 Cb 0.76 0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.17 1ap4 h LYS 6 CO 0.03 1.05 0.01 0.00 -2.00 0.00 0.00 179.45 178.55 1ap4 h ALA 7 N 0.83 1.72 0.14 0.07 0.00 -1.85 -2.57 119.26 117.59 1ap4 h ALA 7 Ca -0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ap4 h ALA 7 Cb 1.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ap4 h ALA 7 CO 0.14 0.22 -0.07 0.00 0.00 0.00 0.00 179.25 179.54 1ap4 h ALA 8 N 1.79 -0.19 -0.46 0.00 0.00 -1.56 -3.11 119.26 115.73 1ap4 h ALA 8 Ca 0.06 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.86 1ap4 h ALA 8 Cb 0.14 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ap4 h ALA 8 CO 0.00 -0.27 0.51 0.28 0.00 0.00 0.00 179.25 179.77 1ap4 h VAL 9 N -0.85 0.33 0.00 0.00 2.07 -1.38 0.75 116.25 117.17 1ap4 h VAL 9 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1ap4 h VAL 9 Cb 0.54 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1ap4 h VAL 9 CO 0.03 0.00 -0.20 -0.62 0.02 0.00 0.00 177.57 176.80 1ap4 n GLU 10 N -3.65 0.02 0.20 1.57 -0.58 -0.98 -3.50 120.64 113.71 1ap4 n GLU 10 Ca 0.09 0.01 0.13 0.00 -0.42 0.00 0.00 57.16 56.96 1ap4 n GLU 10 Cb 0.70 -1.52 0.27 0.00 -0.57 0.00 0.00 31.44 30.32 1ap4 n GLU 10 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1ap4 h GLN 11 N 0.00 0.00 0.00 3.49 7.50 0.60 -3.45 115.11 123.25 1ap4 h GLN 11 Ca 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.01 1ap4 h GLN 11 Cb 0.52 0.00 0.07 0.00 0.05 0.00 0.00 27.48 28.12 1ap4 h GLN 11 CO 0.00 0.00 0.00 1.28 -1.50 0.00 0.00 178.83 178.61 1ap4 n LEU 12 N -2.89 0.00 -4.57 1.46 4.77 -1.23 -5.06 117.00 109.48 1ap4 n LEU 12 Ca 0.04 -0.38 -0.26 0.00 -0.03 0.00 0.00 56.01 55.38 1ap4 n LEU 12 Cb 0.48 -0.36 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 1ap4 n LEU 12 CO 0.32 -1.64 -0.34 0.42 -1.33 0.00 0.00 177.39 174.82 1ap4 s THR 13 N -1.59 2.05 0.25 -5.08 -4.23 -1.26 -5.03 115.64 100.75 1ap4 s THR 13 Ca 0.25 -2.10 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 1ap4 s THR 13 Cb -0.03 -2.80 0.07 0.00 1.34 0.00 0.00 72.50 71.08 1ap4 s THR 13 CO 0.20 -0.11 1.71 -0.08 -0.54 0.00 0.00 174.62 175.80 1ap4 h GLU 14 N 1.92 0.69 -0.02 3.99 4.81 -1.99 -2.51 114.58 121.48 1ap4 h GLU 14 Ca -0.43 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 58.57 1ap4 h GLU 14 Cb 1.24 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1ap4 h GLU 14 CO 0.75 0.81 0.02 1.05 -0.73 0.00 0.00 179.01 180.90 1ap4 h GLU 15 N 0.62 0.00 0.00 1.92 4.11 -1.99 -2.01 114.58 117.23 1ap4 h GLU 15 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1ap4 h GLU 15 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ap4 h GLU 15 CO 0.04 0.00 0.00 0.94 0.07 0.00 0.00 179.01 180.06 1ap4 n GLN 16 N -4.16 0.00 -0.44 1.06 0.00 -0.95 -2.88 117.38 110.01 1ap4 n GLN 16 Ca -0.03 0.38 0.40 0.00 -0.00 0.00 0.00 57.00 57.76 1ap4 n GLN 16 Cb 0.10 -1.06 0.77 0.00 0.00 0.00 0.00 30.24 30.05 1ap4 n GLN 16 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1ap4 h LYS 17 N 0.00 0.01 -0.14 3.69 1.57 -1.57 0.30 116.57 120.43 1ap4 h LYS 17 Ca 0.00 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ap4 h LYS 17 Cb 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ap4 h LYS 17 CO 0.00 0.01 0.07 -0.91 -0.57 0.00 0.00 179.45 178.05 1ap4 h ASN 18 N 0.01 0.18 -0.17 0.86 4.21 -1.41 0.79 115.58 120.06 1ap4 h ASN 18 Ca 0.69 -0.11 -0.16 0.00 1.21 0.00 0.00 56.30 57.93 1ap4 h ASN 18 Cb 2.71 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 39.87 1ap4 h ASN 18 CO -0.03 0.24 -0.50 -0.08 -1.29 0.00 0.00 177.43 175.77 1ap4 h GLU 19 N 0.11 0.64 -0.82 0.81 4.81 -0.32 -3.15 114.58 116.65 1ap4 h GLU 19 Ca 0.05 -0.46 0.02 0.00 -0.13 0.00 0.00 59.36 58.84 1ap4 h GLU 19 Cb 0.10 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1ap4 h GLU 19 CO -0.01 1.08 0.54 0.74 -0.73 0.00 0.00 179.01 180.64 1ap4 h PHE 20 N 0.31 1.00 -0.71 0.92 -1.00 -1.12 -2.38 116.94 113.96 1ap4 h PHE 20 Ca -0.02 0.02 0.15 0.00 2.81 0.00 0.00 57.97 60.94 1ap4 h PHE 20 Cb 1.12 -0.34 -0.10 0.00 3.61 0.00 0.00 35.95 40.25 1ap4 h PHE 20 CO 0.10 0.60 0.18 -0.22 -1.61 0.00 0.00 178.31 177.36 1ap4 h LYS 21 N 1.05 0.28 -0.23 1.51 3.64 -0.79 0.22 116.57 122.26 1ap4 h LYS 21 Ca 0.31 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.70 1ap4 h LYS 21 Cb -0.03 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1ap4 h LYS 21 CO -0.08 0.19 0.06 0.00 -2.27 0.00 0.00 179.45 177.34 1ap4 h ALA 22 N 1.57 0.24 -0.26 5.00 0.00 -1.52 -2.68 119.26 121.61 1ap4 h ALA 22 Ca 0.39 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 1ap4 h ALA 22 Cb 0.65 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1ap4 h ALA 22 CO -0.47 -0.36 0.14 0.00 0.00 0.00 0.00 179.25 178.55 1ap4 h ALA 23 N 1.15 0.34 -0.95 0.00 0.00 -1.21 -2.55 119.26 116.04 1ap4 h ALA 23 Ca 0.10 -0.07 0.29 0.00 0.00 0.00 0.00 54.91 55.22 1ap4 h ALA 23 Cb 0.09 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.62 1ap4 h ALA 23 CO -0.12 -0.12 0.40 0.35 0.00 0.00 0.00 179.25 179.75 1ap4 h PHE 24 N 0.31 0.63 0.00 0.00 3.57 -0.69 2.09 116.94 122.84 1ap4 h PHE 24 Ca 0.09 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1ap4 h PHE 24 Cb 0.08 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1ap4 h PHE 24 CO -0.03 -0.22 0.00 -0.25 -2.23 0.00 0.00 178.31 175.58 1ap4 n ASP 25 N -5.16 0.54 0.05 0.41 9.92 -0.97 -2.40 116.55 118.94 1ap4 n ASP 25 Ca 0.27 0.65 -0.01 0.00 -0.53 0.00 0.00 54.79 55.16 1ap4 n ASP 25 Cb 0.86 -0.76 -0.07 0.00 -0.64 0.00 0.00 41.12 40.51 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 0.71 0.00 0.53 2.04 0.34 -3.33 117.51 117.80 1ap4 h ILE 26 Ca 0.00 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.61 1ap4 h ILE 26 Cb 0.30 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1ap4 h ILE 26 CO 0.00 0.41 -0.50 -0.26 0.00 0.00 0.00 178.15 177.80 1ap4 h PHE 27 N 0.00 0.00 -0.17 1.37 0.04 -1.13 -3.26 116.94 113.79 1ap4 h PHE 27 Ca -0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.63 1ap4 h PHE 27 Cb 1.63 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.78 1ap4 h PHE 27 CO 0.00 0.00 0.00 1.33 -0.60 0.00 0.00 178.31 179.04 1ap4 n VAL 28 N -2.31 0.21 0.28 -0.55 0.24 -1.15 -4.04 118.33 111.01 1ap4 n VAL 28 Ca 0.03 -0.32 0.17 0.00 -2.04 0.00 0.00 64.34 62.18 1ap4 n VAL 28 Cb 0.46 0.28 0.94 0.00 -1.47 0.00 0.00 33.84 34.04 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 1.91 0.00 -0.12 1.34 3.38 -1.70 0.11 115.31 120.23 1ap4 h LEU 29 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ap4 h LEU 29 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1ap4 h LEU 29 CO 0.00 0.00 -0.74 0.61 0.09 0.00 0.00 178.44 178.40 1ap4 n GLY 30 N -1.30 -0.97 3.86 0.83 0.00 -1.26 -4.92 105.19 101.42 1ap4 n GLY 30 Ca -0.02 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.92 3.35 -1.07 4.61 0.00 0.38 -4.97 121.76 121.14 1ap4 s ALA 31 Ca 0.11 -0.03 0.24 0.00 0.00 0.00 0.00 51.96 52.28 1ap4 s ALA 31 Cb 0.17 -2.73 0.36 0.00 0.00 0.00 0.00 23.12 20.92 1ap4 s ALA 31 CO 0.76 0.30 1.31 0.39 0.00 0.00 0.00 175.76 178.52 1ap4 n GLU 32 N -0.49 0.08 -0.00 0.00 1.02 -1.26 -4.07 120.64 115.91 1ap4 n GLU 32 Ca 0.03 -0.05 0.03 0.00 -0.02 0.00 0.00 57.16 57.15 1ap4 n GLU 32 Cb 0.53 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.41 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 -1.42 2.46 0.00 1.62 5.68 -1.26 -5.01 116.55 118.63 1ap4 n ASP 33 Ca 0.06 -0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 1ap4 n ASP 33 Cb 0.34 1.16 0.00 0.00 -1.14 0.00 0.00 41.12 41.48 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 1.80 1.30 3.77 6.12 0.00 -1.26 -5.12 105.19 111.80 1ap4 n GLY 34 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.49 4.44 0.74 0.00 1.01 -0.82 -3.78 121.20 120.29 1ap4 s ILE 36 Ca 0.41 -3.29 -0.13 0.00 0.00 0.00 0.00 60.65 57.65 1ap4 s ILE 36 Cb -0.01 -3.79 0.04 0.00 0.01 0.00 0.00 42.46 38.72 1ap4 s ILE 36 CO 0.24 -1.01 1.12 -0.44 0.00 0.00 0.00 174.94 174.86 1ap4 s SER 37 N 0.62 4.47 0.61 3.58 0.01 -1.26 -1.97 113.70 119.76 1ap4 s SER 37 Ca 0.22 2.02 0.39 0.00 1.31 0.00 0.00 55.95 59.90 1ap4 s SER 37 Cb -0.13 -2.55 1.94 0.00 0.21 0.00 0.00 66.02 65.49 1ap4 s SER 37 CO -0.08 -2.06 2.20 0.00 0.41 0.00 0.00 173.24 173.70 1ap4 h THR 38 N -0.66 0.02 -0.71 1.44 1.03 -1.93 -2.49 112.91 109.60 1ap4 h THR 38 Ca -0.45 -0.24 -0.07 0.00 -0.01 0.00 0.00 66.41 65.63 1ap4 h THR 38 Cb 1.25 1.24 -0.03 0.00 -1.07 0.00 0.00 68.15 69.54 1ap4 h THR 38 CO 0.51 0.00 0.16 0.11 -0.01 0.00 0.00 175.52 176.29 1ap4 h LYS 39 N 0.00 1.15 -0.82 0.00 6.56 -1.93 -2.66 116.57 118.87 1ap4 h LYS 39 Ca -0.00 -0.28 -0.35 0.00 -1.06 0.00 0.00 60.65 58.96 1ap4 h LYS 39 Cb 0.24 -0.15 -0.21 0.00 -0.57 0.00 0.00 32.23 31.54 1ap4 h LYS 39 CO 0.00 1.01 0.42 0.39 -2.06 0.00 0.00 179.45 179.21 1ap4 n GLU 40 N -4.22 2.84 -0.06 3.15 -0.58 -0.95 -4.30 120.64 116.52 1ap4 n GLU 40 Ca 0.05 -3.06 -0.06 0.00 -0.42 0.00 0.00 57.16 53.67 1ap4 n GLU 40 Cb 0.27 -2.16 -0.11 0.00 -0.57 0.00 0.00 31.44 28.88 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ap4 n LEU 41 N -0.72 0.00 0.11 -4.62 4.77 -1.00 -4.26 117.00 111.28 1ap4 n LEU 41 Ca 0.49 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.32 1ap4 n LEU 41 Cb 1.48 0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 42.80 1ap4 n LEU 41 CO 0.49 0.32 0.51 1.23 -1.33 0.00 0.00 177.39 178.61 1ap4 h GLY 42 N 2.63 -1.18 1.89 -0.72 0.00 -1.75 0.64 103.07 104.59 1ap4 h GLY 42 Ca -0.35 0.63 0.01 0.00 0.00 0.00 0.00 47.33 47.62 1ap4 h GLY 42 CO 0.02 -0.30 0.04 0.07 0.00 0.00 0.00 176.54 176.37 1ap4 h LYS 43 N -0.68 0.00 0.17 4.80 2.10 -1.87 -2.79 116.57 118.30 1ap4 h LYS 43 Ca -0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 1ap4 h LYS 43 Cb 0.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 1ap4 h LYS 43 CO -0.24 0.00 -0.08 0.28 -2.00 0.00 0.00 179.45 177.41 1ap4 h VAL 44 N 0.00 0.55 -1.16 0.07 2.07 -0.96 -3.15 116.25 113.68 1ap4 h VAL 44 Ca 0.02 -1.08 0.37 0.00 0.82 0.00 0.00 66.70 66.82 1ap4 h VAL 44 Cb 0.10 0.95 -0.13 0.00 -1.52 0.00 0.00 31.29 30.70 1ap4 h VAL 44 CO -0.00 0.16 0.72 0.24 0.02 0.00 0.00 177.57 178.71 1ap4 h MET 45 N -0.97 0.20 -0.60 1.57 2.86 0.42 0.75 114.93 119.15 1ap4 h MET 45 Ca -0.02 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 1ap4 h MET 45 Cb 0.43 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1ap4 h MET 45 CO 0.04 0.13 0.03 0.00 1.06 0.00 0.00 176.91 178.17 1ap4 h ARG 46 N 0.21 1.03 0.38 1.72 3.08 -1.45 0.91 114.38 120.26 1ap4 h ARG 46 Ca 0.75 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 60.48 1ap4 h ARG 46 Cb 2.09 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 32.04 1ap4 h ARG 46 CO -0.46 0.99 -0.18 0.52 -1.07 0.00 0.00 179.97 179.77 1ap4 h MET 47 N 0.95 -0.49 0.00 0.04 2.86 0.56 -3.35 114.93 115.50 1ap4 h MET 47 Ca 0.18 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1ap4 h MET 47 Cb 0.51 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1ap4 h MET 47 CO 0.02 -0.33 0.00 1.28 1.06 0.00 0.00 176.91 178.94 1ap4 n LEU 48 N -3.67 0.00 0.00 1.22 4.77 -0.96 -4.80 117.00 113.56 1ap4 n LEU 48 Ca -0.06 0.84 0.00 0.00 -0.03 0.00 0.00 56.01 56.75 1ap4 n LEU 48 Cb 0.20 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1ap4 n LEU 48 CO 0.15 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.49 1ap4 n GLY 49 N -0.96 0.00 3.47 -0.72 0.00 -1.00 -5.12 105.19 100.86 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 0.00 1.68 -0.40 1.61 1.11 0.31 -5.00 119.66 118.97 1ap4 s GLN 50 Ca 0.00 -1.93 0.10 0.00 0.01 0.00 0.00 55.36 53.54 1ap4 s GLN 50 Cb 0.00 -0.99 0.35 0.00 -1.01 0.00 0.00 33.01 31.36 1ap4 s GLN 50 CO 0.00 -0.15 0.91 0.27 0.01 0.00 0.00 175.29 176.33 1ap4 n ASN 51 N -0.72 -0.33 -4.77 5.90 6.94 -1.26 -3.08 115.26 117.93 1ap4 n ASN 51 Ca -0.03 -3.20 -0.38 0.00 -0.02 0.00 0.00 54.58 50.96 1ap4 n ASN 51 Cb 0.66 0.33 -0.03 0.00 -2.36 0.00 0.00 39.78 38.38 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 -1.44 4.19 1.16 -0.53 0.04 -1.26 -5.04 135.00 132.12 1ap4 s PRO 52 Ca 0.32 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 62.83 1ap4 s PRO 52 Cb 0.34 -2.68 0.28 0.00 0.04 0.00 0.00 34.50 32.48 1ap4 s PRO 52 CO -0.06 -0.15 1.19 0.95 0.04 0.00 0.00 177.00 178.97 1ap4 s THR 53 N -1.50 1.67 -0.03 1.26 -4.23 -1.26 -4.76 115.64 106.80 1ap4 s THR 53 Ca 0.56 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.82 1ap4 s THR 53 Cb -0.27 -2.66 -0.20 0.00 1.34 0.00 0.00 72.50 70.71 1ap4 s THR 53 CO 0.33 0.00 1.18 1.55 -0.54 0.00 0.00 174.62 177.14 1ap4 h PRO 54 N -2.41 0.13 0.00 3.99 0.13 -2.00 -1.11 132.00 130.73 1ap4 h PRO 54 Ca -0.43 -0.09 -0.12 0.00 -0.87 0.00 0.00 66.00 64.49 1ap4 h PRO 54 Cb 1.26 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1ap4 h PRO 54 CO 0.30 0.71 -0.58 0.93 -0.23 0.00 0.00 178.00 179.13 1ap4 h GLU 55 N -0.43 0.00 0.05 0.86 3.07 -2.02 -3.17 114.58 112.94 1ap4 h GLU 55 Ca -0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.62 1ap4 h GLU 55 Cb 0.72 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1ap4 h GLU 55 CO 0.02 0.58 -1.04 0.93 -1.40 0.00 0.00 179.01 178.10 1ap4 h GLU 56 N 0.00 0.32 -0.77 2.33 5.08 -1.93 -3.18 114.58 116.44 1ap4 h GLU 56 Ca -0.01 -0.41 0.12 0.00 -1.00 0.00 0.00 59.36 58.06 1ap4 h GLU 56 Cb 1.12 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 30.37 1ap4 h GLU 56 CO 0.08 1.12 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.76 1ap4 h LEU 57 N 0.15 -1.34 -0.38 1.33 3.38 -1.16 1.10 115.31 118.39 1ap4 h LEU 57 Ca -0.09 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1ap4 h LEU 57 Cb 1.71 0.67 0.00 0.00 0.09 0.00 0.00 40.66 43.13 1ap4 h LEU 57 CO 0.17 -0.30 0.00 -0.61 0.09 0.00 0.00 178.44 177.79 1ap4 h GLN 58 N -0.10 0.00 0.22 1.13 5.75 -1.71 -3.17 115.11 117.23 1ap4 h GLN 58 Ca 0.27 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.47 1ap4 h GLN 58 Cb 0.57 0.00 0.03 0.00 1.07 0.00 0.00 27.48 29.15 1ap4 h GLN 58 CO -0.81 0.00 -1.30 1.49 -2.65 0.00 0.00 178.83 175.55 1ap4 h GLU 59 N 0.00 0.49 0.00 1.69 4.57 0.11 -2.02 114.58 119.41 1ap4 h GLU 59 Ca 0.00 -0.82 -0.02 0.00 -1.18 0.00 0.00 59.36 57.33 1ap4 h GLU 59 Cb 0.60 0.31 -0.00 0.00 -0.16 0.00 0.00 28.75 29.49 1ap4 h GLU 59 CO 0.00 1.39 -0.11 0.52 -1.18 0.00 0.00 179.01 179.64 1ap4 h MET 60 N 0.02 0.00 0.01 1.92 2.86 -0.45 -3.06 114.93 116.22 1ap4 h MET 60 Ca -0.23 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.23 1ap4 h MET 60 Cb 2.03 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.66 1ap4 h MET 60 CO 0.25 0.11 -1.01 0.82 1.06 0.00 0.00 176.91 178.13 1ap4 h ILE 61 N 0.00 1.10 -0.11 -1.22 2.04 -1.59 -3.24 117.51 114.50 1ap4 h ILE 61 Ca -0.00 -2.23 0.03 0.00 1.00 0.00 0.00 64.86 63.66 1ap4 h ILE 61 Cb 0.55 2.50 -0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1ap4 h ILE 61 CO 0.01 0.40 0.40 -0.78 0.00 0.00 0.00 178.15 178.19 1ap4 h ASP 62 N -0.95 0.00 0.92 1.72 1.82 -1.37 1.33 116.42 119.90 1ap4 h ASP 62 Ca -0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1ap4 h ASP 62 Cb 1.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.28 1ap4 h ASP 62 CO -0.15 0.00 -1.00 -0.62 -1.61 0.00 0.00 179.24 175.86 1ap4 n GLU 63 N -3.08 0.56 0.00 0.28 -0.58 -1.16 -4.07 120.64 112.59 1ap4 n GLU 63 Ca 0.01 0.10 0.03 0.00 -0.42 0.00 0.00 57.16 56.88 1ap4 n GLU 63 Cb 0.48 -1.79 0.02 0.00 -0.57 0.00 0.00 31.44 29.58 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 -2.58 0.00 -3.11 2.62 3.14 0.22 -4.85 118.33 113.77 1ap4 n VAL 64 Ca 0.00 -0.49 -0.45 0.00 -2.96 0.00 0.00 64.34 60.45 1ap4 n VAL 64 Cb 0.53 1.10 -0.01 0.00 -1.06 0.00 0.00 33.84 34.41 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 -0.56 7.03 0.46 6.55 2.15 0.40 -4.82 116.67 127.88 1ap4 s ASP 65 Ca 0.06 -2.97 0.31 0.00 0.43 0.00 0.00 52.55 50.38 1ap4 s ASP 65 Cb 0.05 -2.32 1.52 0.00 -0.30 0.00 0.00 42.92 41.86 1ap4 s ASP 65 CO 0.08 -0.64 1.95 1.05 -0.17 0.00 0.00 175.17 177.44 1ap4 h GLU 66 N 7.37 0.00 -0.28 4.34 -0.00 -1.88 -2.43 114.58 121.71 1ap4 h GLU 66 Ca 0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.54 1ap4 h GLU 66 Cb 0.92 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.65 1ap4 h GLU 66 CO 1.09 0.00 -0.01 0.22 -0.00 0.00 0.00 179.01 180.31 1ap4 h ASP 67 N 0.00 0.39 -0.11 3.06 3.58 -1.94 -3.46 116.42 117.94 1ap4 h ASP 67 Ca 0.00 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 1ap4 h ASP 67 Cb 0.21 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 1ap4 h ASP 67 CO 0.00 0.46 -0.04 0.61 -2.88 0.00 0.00 179.24 177.39 1ap4 n GLY 68 N -0.97 0.57 0.05 -0.78 0.00 -0.91 -4.90 105.19 98.24 1ap4 n GLY 68 Ca 0.01 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 1.39 0.12 0.00 1.61 3.41 -1.26 -4.98 113.62 113.91 1ap4 n SER 69 Ca -0.02 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1ap4 n SER 69 Cb 0.08 1.51 0.00 0.00 -0.26 0.00 0.00 64.21 65.55 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 1.38 3.26 3.90 5.00 0.00 -1.26 -5.05 105.19 112.42 1ap4 n GLY 70 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.00 4.93 -0.27 2.61 -4.23 -1.26 -4.28 115.64 110.14 1ap4 s THR 71 Ca 0.00 0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 60.64 1ap4 s THR 71 Cb 0.00 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.04 1ap4 s THR 71 CO 0.00 -0.54 0.10 -0.69 -0.54 0.00 0.00 174.62 172.95 1ap4 s VAL 72 N -2.36 4.40 0.62 2.29 1.01 -0.83 -4.95 120.40 120.57 1ap4 s VAL 72 Ca 0.47 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1ap4 s VAL 72 Cb -0.10 -3.14 0.08 0.00 0.00 0.00 0.00 36.38 33.22 1ap4 s VAL 72 CO 0.35 0.22 0.86 -1.81 0.00 0.00 0.00 175.10 174.72 1ap4 s ASP 73 N 1.61 4.88 0.45 3.32 1.01 -1.26 -1.94 116.67 124.73 1ap4 s ASP 73 Ca 0.05 -0.30 0.16 0.00 0.71 0.00 0.00 52.55 53.18 1ap4 s ASP 73 Cb -0.16 -0.34 1.09 0.00 1.01 0.00 0.00 42.92 44.53 1ap4 s ASP 73 CO 0.05 -1.46 1.97 0.15 0.21 0.00 0.00 175.17 176.09 1ap4 h PHE 74 N -0.14 0.37 -0.09 4.23 3.57 -1.98 1.61 116.94 124.53 1ap4 h PHE 74 Ca -0.38 0.01 -0.19 0.00 3.53 0.00 0.00 57.97 60.94 1ap4 h PHE 74 Cb 1.28 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 1ap4 h PHE 74 CO 0.14 0.17 -0.76 0.22 -2.23 0.00 0.00 178.31 175.85 1ap4 h ASP 75 N 0.34 0.57 0.37 0.41 1.82 -2.02 -3.22 116.42 114.70 1ap4 h ASP 75 Ca 0.29 -0.38 -0.32 0.00 -0.39 0.00 0.00 57.03 56.23 1ap4 h ASP 75 Cb 0.67 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.48 1ap4 h ASP 75 CO -0.07 1.14 -1.76 -0.33 -1.61 0.00 0.00 179.24 176.61 1ap4 h GLU 76 N 0.32 0.13 -0.66 0.28 5.08 -1.48 -3.34 114.58 114.92 1ap4 h GLU 76 Ca -0.04 -0.23 0.15 0.00 -1.00 0.00 0.00 59.36 58.24 1ap4 h GLU 76 Cb 1.35 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.65 1ap4 h GLU 76 CO 0.14 0.86 0.45 0.35 -1.00 0.00 0.00 179.01 179.81 1ap4 h PHE 77 N 0.04 0.28 0.11 4.33 3.57 0.22 -2.46 116.94 123.02 1ap4 h PHE 77 Ca -0.32 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.19 1ap4 h PHE 77 Cb 2.02 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.67 1ap4 h PHE 77 CO 0.04 0.11 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.11 1ap4 h LEU 78 N 0.24 -0.12 -0.94 0.59 3.38 -1.68 -3.19 115.31 113.59 1ap4 h LEU 78 Ca 0.32 -0.46 0.24 0.00 0.09 0.00 0.00 57.88 58.07 1ap4 h LEU 78 Cb 0.91 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.56 1ap4 h LEU 78 CO -0.07 0.48 0.47 0.58 0.09 0.00 0.00 178.44 179.99 1ap4 h VAL 79 N -0.82 0.48 -0.94 1.22 2.07 -1.57 0.35 116.25 117.03 1ap4 h VAL 79 Ca -0.01 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1ap4 h VAL 79 Cb 0.57 -0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 1ap4 h VAL 79 CO 0.02 0.08 0.61 0.24 0.02 0.00 0.00 177.57 178.54 1ap4 h MET 80 N 0.45 1.10 0.58 1.57 2.86 -1.51 0.17 114.93 120.15 1ap4 h MET 80 Ca 0.60 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 58.14 1ap4 h MET 80 Cb 1.16 -0.25 0.01 0.00 0.06 0.00 0.00 31.60 32.58 1ap4 h MET 80 CO -0.52 0.73 -0.28 0.52 1.06 0.00 0.00 176.91 178.42 1ap4 h MET 81 N 1.13 -0.75 -0.12 1.72 2.07 -0.33 -2.72 114.93 115.93 1ap4 h MET 81 Ca 0.39 0.05 0.04 0.00 -2.07 0.00 0.00 59.70 58.11 1ap4 h MET 81 Cb 0.10 0.17 -0.00 0.00 -1.87 0.00 0.00 31.60 29.99 1ap4 h MET 81 CO -0.15 -0.44 0.18 -0.24 1.07 0.00 0.00 176.91 177.32 1ap4 h VAL 82 N -1.07 0.35 -0.07 -2.22 3.04 -1.17 -1.84 116.25 113.27 1ap4 h VAL 82 Ca -0.08 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.60 1ap4 h VAL 82 Cb 0.66 0.85 -0.00 0.00 -2.01 0.00 0.00 31.29 30.78 1ap4 h VAL 82 CO 0.13 0.00 0.02 0.03 -1.01 0.00 0.00 177.57 176.74 1ap4 h ARG 83 N 0.00 0.10 -2.11 4.17 3.08 -0.34 -3.11 114.38 116.17 1ap4 h ARG 83 Ca 0.06 -0.02 -0.67 0.00 0.07 0.00 0.00 59.98 59.41 1ap4 h ARG 83 Cb 0.42 -0.01 -0.22 0.00 0.08 0.00 0.00 29.97 30.23 1ap4 h ARG 83 CO -0.00 0.28 0.99 0.00 -1.07 0.00 0.00 179.97 180.16 1ap4 n MET 85 N 0.33 0.00 -0.17 0.00 2.81 -1.17 -3.39 117.12 115.52 1ap4 n MET 85 Ca 0.52 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 56.40 1ap4 n MET 85 Cb 0.35 -0.70 0.08 0.00 -0.71 0.00 0.00 33.22 32.24 1ap4 n MET 85 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1ap4 h LYS 86 N 0.00 0.23 -0.65 0.03 3.64 -1.76 -1.21 116.57 116.84 1ap4 h LYS 86 Ca 0.00 -0.01 -0.23 0.00 -1.27 0.00 0.00 60.65 59.13 1ap4 h LYS 86 Cb 0.84 -0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.47 1ap4 h LYS 86 CO 0.00 0.15 0.24 -0.25 -2.27 0.00 0.00 179.45 177.32 1ap4 n ASP 87 N -5.13 4.14 -3.66 4.20 9.92 -1.26 -4.91 116.55 119.85 1ap4 n ASP 87 Ca 0.07 -3.36 -0.26 0.00 -0.53 0.00 0.00 54.79 50.71 1ap4 n ASP 87 Cb 0.27 -0.72 -0.03 0.00 -0.64 0.00 0.00 41.12 40.00 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ap4 n ASP 88 N -0.53 -2.20 0.00 -2.24 -0.08 -0.46 -5.12 116.55 105.91 1ap4 n ASP 88 Ca 0.40 -0.53 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 1ap4 n ASP 88 Cb 1.31 -1.90 0.00 0.00 2.34 0.00 0.00 41.12 42.87 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12