#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 -5.79 0.00 6.12 -0.08 -1.26 -5.01 116.55 110.52 1ap4 n ASP 2 Ca 0.00 0.55 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 1ap4 n ASP 2 Cb 0.00 -3.04 0.00 0.00 2.34 0.00 0.00 41.12 40.42 1ap4 n ASP 2 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1ap4 n ASP 3 N -3.47 0.00 0.06 1.67 5.68 -1.26 -4.93 116.55 114.30 1ap4 n ASP 3 Ca -0.01 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.16 1ap4 n ASP 3 Cb 0.45 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.37 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1ap4 h ILE 4 N 0.00 0.74 -0.25 2.12 2.04 -2.02 -2.55 117.51 117.59 1ap4 h ILE 4 Ca 0.00 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.68 1ap4 h ILE 4 Cb 0.00 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1ap4 h ILE 4 CO 0.00 0.00 -0.56 1.88 0.00 0.00 0.00 178.15 179.47 1ap4 h TYR 5 N -0.19 0.96 -0.84 1.37 0.05 -1.99 -3.14 116.97 113.19 1ap4 h TYR 5 Ca 0.03 -0.35 0.21 0.00 0.05 0.00 0.00 58.73 58.67 1ap4 h TYR 5 Cb 0.23 -0.18 -0.13 0.00 1.01 0.00 0.00 36.73 37.67 1ap4 h TYR 5 CO -0.16 1.15 0.27 0.87 -1.05 0.00 0.00 178.16 179.24 1ap4 h LYS 6 N 0.58 0.29 -0.62 4.88 1.57 -1.85 0.23 116.57 121.64 1ap4 h LYS 6 Ca 0.01 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1ap4 h LYS 6 Cb 1.15 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.35 1ap4 h LYS 6 CO 0.12 0.19 0.35 0.00 -0.57 0.00 0.00 179.45 179.54 1ap4 h ALA 7 N 1.71 0.82 -0.91 3.86 0.00 -1.41 -1.12 119.26 122.22 1ap4 h ALA 7 Ca 0.51 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.61 1ap4 h ALA 7 Cb 0.97 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1ap4 h ALA 7 CO -0.57 0.03 0.59 0.00 0.00 0.00 0.00 179.25 179.30 1ap4 h ALA 8 N 1.31 1.98 -0.51 0.00 0.00 -0.63 -0.02 119.26 121.41 1ap4 h ALA 8 Ca 0.27 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1ap4 h ALA 8 Cb 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ap4 h ALA 8 CO -0.16 -0.26 0.09 0.28 0.00 0.00 0.00 179.25 179.19 1ap4 h VAL 9 N 0.57 1.25 0.00 0.00 2.07 -0.97 -2.35 116.25 116.82 1ap4 h VAL 9 Ca 0.47 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1ap4 h VAL 9 Cb 0.95 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1ap4 h VAL 9 CO -0.21 0.33 -0.09 -0.33 0.02 0.00 0.00 177.57 177.29 1ap4 h GLU 10 N 0.72 0.00 0.00 1.57 4.39 -0.83 -1.94 114.58 118.48 1ap4 h GLU 10 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1ap4 h GLU 10 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1ap4 h GLU 10 CO 0.01 0.09 0.00 1.04 -1.16 0.00 0.00 179.01 178.99 1ap4 n GLN 11 N -3.46 0.15 -2.25 2.33 3.00 -0.82 -4.52 117.38 111.81 1ap4 n GLN 11 Ca -0.01 0.56 -0.43 0.00 -0.01 0.00 0.00 57.00 57.10 1ap4 n GLN 11 Cb 0.24 -1.90 -0.02 0.00 0.00 0.00 0.00 30.24 28.55 1ap4 n GLN 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1ap4 s LEU 12 N -4.41 3.57 1.26 1.08 1.43 -0.73 -4.99 118.68 115.88 1ap4 s LEU 12 Ca -0.00 0.97 -0.16 0.00 -1.03 0.00 0.00 54.13 53.91 1ap4 s LEU 12 Cb 0.07 -3.54 0.32 0.00 0.03 0.00 0.00 46.19 43.07 1ap4 s LEU 12 CO 0.25 -1.51 0.99 0.42 0.23 0.00 0.00 176.35 176.74 1ap4 s THR 13 N 5.82 1.78 0.17 5.49 -4.23 -1.26 -4.67 115.64 118.74 1ap4 s THR 13 Ca 0.66 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 61.44 1ap4 s THR 13 Cb -0.16 -2.05 0.28 0.00 1.34 0.00 0.00 72.50 71.90 1ap4 s THR 13 CO 0.33 0.00 1.89 1.05 -0.54 0.00 0.00 174.62 177.35 1ap4 h GLU 14 N -2.92 0.00 0.00 3.99 4.11 -1.95 -2.56 114.58 115.25 1ap4 h GLU 14 Ca -0.58 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.77 1ap4 h GLU 14 Cb 1.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 1ap4 h GLU 14 CO 0.45 0.16 -0.38 1.05 0.07 0.00 0.00 179.01 180.36 1ap4 h GLU 15 N 0.00 0.00 0.00 1.06 4.11 -2.01 -2.98 114.58 114.77 1ap4 h GLU 15 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1ap4 h GLU 15 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1ap4 h GLU 15 CO 0.02 0.38 -0.34 0.37 0.07 0.00 0.00 179.01 179.51 1ap4 h GLN 16 N 0.00 0.00 -1.36 1.06 5.75 -1.80 -3.29 115.11 115.47 1ap4 h GLN 16 Ca -0.00 0.00 0.39 0.00 -0.15 0.00 0.00 58.65 58.89 1ap4 h GLN 16 Cb 0.88 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.38 1ap4 h GLN 16 CO 0.05 0.05 1.08 0.87 -2.65 0.00 0.00 178.83 178.23 1ap4 h LYS 17 N -1.00 0.00 -0.28 1.69 1.57 -1.59 0.83 116.57 117.78 1ap4 h LYS 17 Ca -0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1ap4 h LYS 17 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1ap4 h LYS 17 CO -0.01 0.00 -0.34 -0.91 -0.57 0.00 0.00 179.45 177.62 1ap4 h ASN 18 N 0.00 0.79 0.33 0.86 2.35 -1.64 -2.99 115.58 115.28 1ap4 h ASN 18 Ca 0.65 -0.49 -0.07 0.00 -0.55 0.00 0.00 56.30 55.84 1ap4 h ASN 18 Cb 2.81 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 40.94 1ap4 h ASN 18 CO -0.01 1.13 -0.33 -0.08 -1.65 0.00 0.00 177.43 176.49 1ap4 h GLU 19 N 0.48 0.00 -0.57 0.81 4.57 0.59 -2.73 114.58 117.74 1ap4 h GLU 19 Ca 0.04 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 1ap4 h GLU 19 Cb 0.93 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 1ap4 h GLU 19 CO 0.08 0.33 0.06 0.74 -1.18 0.00 0.00 179.01 179.04 1ap4 h PHE 20 N 0.00 0.98 -0.76 0.92 -1.00 -1.28 -2.75 116.94 113.05 1ap4 h PHE 20 Ca -0.00 -0.13 0.06 0.00 2.81 0.00 0.00 57.97 60.70 1ap4 h PHE 20 Cb 0.58 -0.27 -0.06 0.00 3.61 0.00 0.00 35.95 39.81 1ap4 h PHE 20 CO 0.00 0.86 0.46 -0.22 -1.61 0.00 0.00 178.31 177.80 1ap4 h LYS 21 N 0.87 0.81 0.22 1.51 3.64 -1.38 0.64 116.57 122.88 1ap4 h LYS 21 Ca 0.17 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1ap4 h LYS 21 Cb 0.43 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1ap4 h LYS 21 CO 0.01 0.54 -0.10 0.00 -2.27 0.00 0.00 179.45 177.63 1ap4 h ALA 22 N 1.37 -0.84 -0.66 5.00 0.00 -1.54 -2.76 119.26 119.83 1ap4 h ALA 22 Ca 0.33 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.28 1ap4 h ALA 22 Cb 0.16 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1ap4 h ALA 22 CO -0.17 -0.82 0.26 0.00 0.00 0.00 0.00 179.25 178.53 1ap4 h ALA 23 N -1.80 0.89 -0.83 0.00 0.00 -1.47 -1.11 119.26 114.95 1ap4 h ALA 23 Ca -0.03 0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.18 1ap4 h ALA 23 Cb 0.22 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 17.93 1ap4 h ALA 23 CO 0.05 -0.17 0.13 0.35 0.00 0.00 0.00 179.25 179.61 1ap4 h PHE 24 N 0.45 0.17 0.00 0.00 3.04 0.27 1.84 116.94 122.70 1ap4 h PHE 24 Ca 0.34 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.34 1ap4 h PHE 24 Cb 0.44 0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.01 1ap4 h PHE 24 CO -0.16 -0.22 0.00 -0.25 -2.02 0.00 0.00 178.31 175.66 1ap4 n ASP 25 N -5.28 0.32 0.04 0.41 9.92 -0.44 -2.67 116.55 118.85 1ap4 n ASP 25 Ca 0.18 0.57 -0.13 0.00 -0.53 0.00 0.00 54.79 54.89 1ap4 n ASP 25 Cb 0.59 -0.64 -0.14 0.00 -0.64 0.00 0.00 41.12 40.29 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 1.18 -0.08 0.53 2.04 0.30 -3.30 117.51 118.18 1ap4 h ILE 26 Ca 0.00 -2.90 -0.15 0.00 1.00 0.00 0.00 64.86 62.82 1ap4 h ILE 26 Cb 0.33 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1ap4 h ILE 26 CO 0.00 0.77 -0.59 -0.26 0.00 0.00 0.00 178.15 178.07 1ap4 h PHE 27 N 0.03 0.35 0.00 1.37 0.04 -1.15 -2.63 116.94 114.96 1ap4 h PHE 27 Ca -0.21 -0.13 0.00 0.00 2.80 0.00 0.00 57.97 60.43 1ap4 h PHE 27 Cb 1.96 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 40.05 1ap4 h PHE 27 CO 0.03 0.79 0.00 1.33 -0.60 0.00 0.00 178.31 179.86 1ap4 n VAL 28 N -3.89 0.25 -1.52 -0.55 0.24 -1.20 -4.73 118.33 106.92 1ap4 n VAL 28 Ca -0.02 0.06 -0.19 0.00 -2.04 0.00 0.00 64.34 62.14 1ap4 n VAL 28 Cb 0.61 -0.69 -0.16 0.00 -1.47 0.00 0.00 33.84 32.13 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 -1.24 -0.03 0.00 1.34 4.77 -0.99 0.23 117.00 121.08 1ap4 n LEU 29 Ca 0.12 -0.90 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1ap4 n LEU 29 Cb 0.16 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 1ap4 n LEU 29 CO 0.16 -1.89 0.00 0.61 -1.33 0.00 0.00 177.39 174.94 1ap4 n GLY 30 N 6.06 1.97 3.14 -0.72 0.00 -1.26 -5.11 105.19 109.28 1ap4 n GLY 30 Ca 0.59 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.64 -0.04 4.61 0.00 0.63 -4.94 120.51 118.14 1ap4 n ALA 31 Ca 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 53.44 52.07 1ap4 n ALA 31 Cb 0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.06 0.69 -0.00 0.00 -0.58 -1.26 -4.52 120.64 112.90 1ap4 n GLU 32 Ca 0.04 0.22 0.01 0.00 -0.42 0.00 0.00 57.16 57.01 1ap4 n GLU 32 Cb 0.50 -1.69 -0.01 0.00 -0.57 0.00 0.00 31.44 29.67 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1ap4 n ASP 33 N -3.20 1.34 0.00 1.62 5.68 -1.26 -5.00 116.55 115.73 1ap4 n ASP 33 Ca -0.29 -0.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.61 1ap4 n ASP 33 Cb 1.06 1.02 0.00 0.00 -1.14 0.00 0.00 41.12 42.06 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 1.42 1.20 3.74 6.12 0.00 -1.26 -5.14 105.19 111.27 1ap4 n GLY 34 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.25 4.23 -1.62 0.00 5.41 -1.04 -3.98 119.36 121.12 1ap4 n ILE 36 Ca -0.01 -5.50 -0.45 0.00 1.00 0.00 0.00 62.75 57.79 1ap4 n ILE 36 Cb 0.64 -2.30 -0.02 0.00 -0.71 0.00 0.00 39.64 37.25 1ap4 n ILE 36 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1ap4 n SER 37 N 1.89 1.74 -0.37 4.38 7.64 -1.26 -3.33 113.62 124.31 1ap4 n SER 37 Ca 0.25 1.17 0.33 0.00 1.01 0.00 0.00 58.87 61.63 1ap4 n SER 37 Cb 0.37 -1.33 0.66 0.00 -1.01 0.00 0.00 64.21 62.90 1ap4 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ap4 h THR 38 N 2.31 0.37 -1.01 0.44 1.03 -1.92 0.31 112.91 114.44 1ap4 h THR 38 Ca -0.42 -0.05 0.22 0.00 -0.01 0.00 0.00 66.41 66.16 1ap4 h THR 38 Cb 1.32 0.21 -0.12 0.00 -1.07 0.00 0.00 68.15 68.50 1ap4 h THR 38 CO 0.64 0.03 0.61 0.11 -0.01 0.00 0.00 175.52 176.89 1ap4 h LYS 39 N 0.14 0.64 -0.74 0.00 6.56 -1.96 0.71 116.57 121.91 1ap4 h LYS 39 Ca 0.65 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 60.16 1ap4 h LYS 39 Cb 2.19 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 33.69 1ap4 h LYS 39 CO -0.17 0.42 0.04 0.39 -2.06 0.00 0.00 179.45 178.08 1ap4 n GLU 40 N -4.82 3.54 -0.08 3.15 1.02 0.11 -4.10 120.64 119.46 1ap4 n GLU 40 Ca 0.25 -2.17 -0.14 0.00 -0.02 0.00 0.00 57.16 55.08 1ap4 n GLU 40 Cb 0.67 -2.02 -0.14 0.00 -0.02 0.00 0.00 31.44 29.94 1ap4 n GLU 40 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ap4 n LEU 41 N 0.33 1.59 0.27 -4.62 -0.00 0.25 -3.64 117.00 111.19 1ap4 n LEU 41 Ca 0.21 0.05 -0.11 0.00 -0.00 0.00 0.00 56.01 56.17 1ap4 n LEU 41 Cb 0.95 -0.30 -0.05 0.00 -0.00 0.00 0.00 43.42 44.02 1ap4 n LEU 41 CO 0.24 0.69 0.50 1.23 -0.00 0.00 0.00 177.39 180.06 1ap4 h GLY 42 N 2.77 -0.72 1.25 -3.96 0.00 -1.71 0.88 103.07 101.58 1ap4 h GLY 42 Ca -0.50 0.27 0.10 0.00 0.00 0.00 0.00 47.33 47.20 1ap4 h GLY 42 CO 0.01 -0.26 0.29 0.50 0.00 0.00 0.00 176.54 177.07 1ap4 h LYS 43 N -0.71 0.10 0.24 4.80 1.57 -1.81 -1.94 116.57 118.81 1ap4 h LYS 43 Ca -0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1ap4 h LYS 43 Cb 0.53 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1ap4 h LYS 43 CO 0.12 0.07 -0.11 0.28 -0.57 0.00 0.00 179.45 179.23 1ap4 h VAL 44 N 0.10 0.47 -1.02 0.50 2.07 -1.55 -3.13 116.25 113.69 1ap4 h VAL 44 Ca 0.19 -0.94 0.28 0.00 0.82 0.00 0.00 66.70 67.05 1ap4 h VAL 44 Cb 0.63 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1ap4 h VAL 44 CO -0.02 0.12 0.72 0.24 0.02 0.00 0.00 177.57 178.65 1ap4 h MET 45 N -0.98 0.11 -0.21 1.57 2.86 0.12 0.50 114.93 118.89 1ap4 h MET 45 Ca -0.03 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1ap4 h MET 45 Cb 0.45 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1ap4 h MET 45 CO 0.05 0.07 0.06 0.00 1.06 0.00 0.00 176.91 178.15 1ap4 h ARG 46 N 0.11 0.33 0.08 1.72 3.08 -1.35 0.22 114.38 118.57 1ap4 h ARG 46 Ca 0.51 -0.08 -0.26 0.00 0.07 0.00 0.00 59.98 60.22 1ap4 h ARG 46 Cb 1.81 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.80 1ap4 h ARG 46 CO -0.08 0.44 -1.25 0.00 -1.07 0.00 0.00 179.97 178.02 1ap4 h MET 47 N 0.16 0.16 -0.34 0.04 -0.00 -0.87 -3.24 114.93 110.84 1ap4 h MET 47 Ca 0.07 -0.27 0.10 0.00 -0.00 0.00 0.00 59.70 59.59 1ap4 h MET 47 Cb 0.26 0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 31.94 1ap4 h MET 47 CO -0.00 1.08 0.36 -0.07 -0.00 0.00 0.00 176.91 178.28 1ap4 h LEU 48 N 0.04 0.00 0.00 -0.10 3.38 -0.08 -3.44 115.31 115.12 1ap4 h LEU 48 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1ap4 h LEU 48 Cb 1.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1ap4 h LEU 48 CO 0.16 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.30 1ap4 n GLY 49 N -1.47 1.93 3.56 0.83 0.00 -1.12 -5.06 105.19 103.86 1ap4 n GLY 49 Ca 0.05 0.00 -0.28 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 -0.03 2.03 -0.42 1.61 -1.52 0.75 -5.04 119.66 117.03 1ap4 s GLN 50 Ca 0.00 -2.26 0.08 0.00 -1.95 0.00 0.00 55.36 51.23 1ap4 s GLN 50 Cb 0.00 -0.70 0.30 0.00 -0.22 0.00 0.00 33.01 32.39 1ap4 s GLN 50 CO 0.00 -0.52 0.83 -1.71 -0.25 0.00 0.00 175.29 173.65 1ap4 n ASN 51 N -1.43 -0.86 -4.79 5.90 5.15 -1.26 -3.86 115.26 114.11 1ap4 n ASN 51 Ca -0.09 -3.20 -0.32 0.00 -0.60 0.00 0.00 54.58 50.37 1ap4 n ASN 51 Cb 0.65 0.54 0.05 0.00 -0.53 0.00 0.00 39.78 40.49 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 -0.87 2.81 0.77 1.20 0.04 -1.26 -5.05 135.00 132.64 1ap4 s PRO 52 Ca 0.32 1.20 -0.07 0.00 0.04 0.00 0.00 61.00 62.49 1ap4 s PRO 52 Cb 0.28 -1.96 0.12 0.00 0.04 0.00 0.00 34.50 32.97 1ap4 s PRO 52 CO -0.11 -1.22 1.08 0.95 0.04 0.00 0.00 177.00 177.75 1ap4 s THR 53 N -2.67 2.17 0.26 1.26 -4.23 -1.26 -4.94 115.64 106.24 1ap4 s THR 53 Ca 0.63 -0.32 0.08 0.00 -1.18 0.00 0.00 61.69 60.89 1ap4 s THR 53 Cb -0.17 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.80 1ap4 s THR 53 CO 0.47 0.00 1.61 1.55 -0.54 0.00 0.00 174.62 177.71 1ap4 h PRO 54 N -0.84 0.10 0.00 3.99 0.13 -2.01 -2.81 132.00 130.57 1ap4 h PRO 54 Ca -0.42 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1ap4 h PRO 54 Cb 1.28 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ap4 h PRO 54 CO 0.47 0.66 -0.26 0.93 -0.23 0.00 0.00 178.00 179.57 1ap4 h GLU 55 N 0.07 0.00 -1.02 0.86 5.08 -2.02 -3.34 114.58 114.20 1ap4 h GLU 55 Ca -0.01 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.64 1ap4 h GLU 55 Cb 1.07 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 1ap4 h GLU 55 CO 0.08 0.27 0.72 0.93 -1.00 0.00 0.00 179.01 180.01 1ap4 h GLU 56 N -1.00 0.12 -0.39 2.33 5.08 -1.96 -2.03 114.58 116.73 1ap4 h GLU 56 Ca -0.04 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1ap4 h GLU 56 Cb 0.44 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 1ap4 h GLU 56 CO -0.02 0.08 -0.38 -0.07 -1.00 0.00 0.00 179.01 177.61 1ap4 h LEU 57 N 0.12 -1.32 -0.09 1.33 3.38 -1.62 0.92 115.31 118.03 1ap4 h LEU 57 Ca 0.51 0.18 -0.23 0.00 0.09 0.00 0.00 57.88 58.43 1ap4 h LEU 57 Cb 1.80 0.55 -0.00 0.00 0.09 0.00 0.00 40.66 43.10 1ap4 h LEU 57 CO -0.08 -0.24 -1.03 -0.61 0.09 0.00 0.00 178.44 176.57 1ap4 h GLN 58 N -0.19 0.25 0.00 1.13 -0.00 -1.65 -3.19 115.11 111.46 1ap4 h GLN 58 Ca 0.07 -0.33 -0.03 0.00 -0.00 0.00 0.00 58.65 58.36 1ap4 h GLN 58 Cb 0.37 0.11 -0.00 0.00 0.00 0.00 0.00 27.48 27.95 1ap4 h GLN 58 CO -0.47 1.08 -0.13 1.49 0.00 0.00 0.00 178.83 180.80 1ap4 h GLU 59 N 0.11 0.00 0.00 1.69 4.81 -0.74 -1.14 114.58 119.31 1ap4 h GLU 59 Ca -0.08 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 1ap4 h GLU 59 Cb 1.70 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.07 1ap4 h GLU 59 CO 0.16 0.13 -0.49 1.98 -0.73 0.00 0.00 179.01 180.06 1ap4 h MET 60 N 0.00 0.00 -0.10 1.92 4.05 0.87 -3.17 114.93 118.50 1ap4 h MET 60 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1ap4 h MET 60 Cb 0.31 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1ap4 h MET 60 CO 0.02 0.49 0.00 -0.89 0.23 0.00 0.00 176.91 176.76 1ap4 n ILE 61 N -3.28 0.10 1.03 1.77 5.41 -0.74 -3.98 119.36 119.67 1ap4 n ILE 61 Ca 0.01 -0.54 0.13 0.00 1.00 0.00 0.00 62.75 63.35 1ap4 n ILE 61 Cb 0.70 1.36 0.38 0.00 -0.71 0.00 0.00 39.64 41.37 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 1.34 0.37 -0.02 4.38 2.03 -0.51 -2.89 116.55 121.25 1ap4 n ASP 62 Ca 0.15 -0.07 0.01 0.00 0.52 0.00 0.00 54.79 55.39 1ap4 n ASP 62 Cb 0.59 0.01 -0.05 0.00 -0.72 0.00 0.00 41.12 40.95 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 -1.44 1.40 0.03 -0.67 1.02 -1.26 -4.63 120.64 115.09 1ap4 n GLU 63 Ca 0.07 -0.04 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 1ap4 n GLU 63 Cb 0.33 -1.16 -0.14 0.00 -0.02 0.00 0.00 31.44 30.45 1ap4 n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ap4 h VAL 64 N 0.00 1.01 -0.31 2.62 2.07 -1.69 -3.44 116.25 116.52 1ap4 h VAL 64 Ca -0.08 -2.73 -0.34 0.00 0.82 0.00 0.00 66.70 64.38 1ap4 h VAL 64 Cb 0.78 2.63 -0.07 0.00 -1.52 0.00 0.00 31.29 33.12 1ap4 h VAL 64 CO 0.00 0.76 1.49 -0.67 0.02 0.00 0.00 177.57 179.17 1ap4 n ASP 65 N -3.35 0.24 -0.19 0.57 2.03 -1.14 -4.68 116.55 110.03 1ap4 n ASP 65 Ca -0.18 -0.54 0.05 0.00 0.52 0.00 0.00 54.79 54.63 1ap4 n ASP 65 Cb 1.04 -1.03 0.21 0.00 -0.72 0.00 0.00 41.12 40.63 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 7.51 1.24 0.00 -0.67 0.28 -1.26 -3.37 120.64 124.37 1ap4 n GLU 66 Ca 0.59 -0.37 0.00 0.00 -0.16 0.00 0.00 57.16 57.22 1ap4 n GLU 66 Cb 0.23 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 31.93 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 -0.28 0.34 -3.08 -1.84 5.75 -1.26 -5.00 116.55 111.17 1ap4 n ASP 67 Ca 0.08 -0.70 -0.22 0.00 -0.01 0.00 0.00 54.79 53.93 1ap4 n ASP 67 Cb 0.11 0.24 0.02 0.00 -1.03 0.00 0.00 41.12 40.46 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 0.24 -0.51 0.08 6.12 0.00 -1.22 -4.83 105.19 105.08 1ap4 n GLY 68 Ca 0.00 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.38 0.66 0.00 1.61 3.41 -1.26 -4.92 113.62 110.74 1ap4 n SER 69 Ca -0.09 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1ap4 n SER 69 Cb 0.60 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 1.35 2.15 3.98 5.00 0.00 -1.26 -4.97 105.19 111.44 1ap4 n GLY 70 Ca 0.05 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.26 2.21 -0.23 2.61 -4.23 -1.26 -4.64 115.64 109.85 1ap4 s THR 71 Ca 0.00 -0.55 -0.05 0.00 -1.18 0.00 0.00 61.69 59.91 1ap4 s THR 71 Cb 0.00 -2.66 -0.01 0.00 1.34 0.00 0.00 72.50 71.17 1ap4 s THR 71 CO 0.00 0.00 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.38 1ap4 s VAL 72 N -3.14 3.66 0.53 2.29 1.01 -1.21 -4.93 120.40 118.61 1ap4 s VAL 72 Ca 0.65 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.22 1ap4 s VAL 72 Cb -0.06 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1ap4 s VAL 72 CO 0.44 0.40 0.78 -0.62 0.00 0.00 0.00 175.10 176.10 1ap4 s ASP 73 N 1.48 5.57 0.20 3.32 2.15 -1.26 -2.49 116.67 125.64 1ap4 s ASP 73 Ca 0.06 0.35 -0.17 0.00 0.43 0.00 0.00 52.55 53.22 1ap4 s ASP 73 Cb -0.14 -1.40 0.19 0.00 -0.30 0.00 0.00 42.92 41.26 1ap4 s ASP 73 CO -0.01 -0.96 1.61 0.15 -0.17 0.00 0.00 175.17 175.78 1ap4 h PHE 74 N 0.10 -0.61 -0.82 -5.34 3.57 -1.97 2.17 116.94 114.04 1ap4 h PHE 74 Ca -0.45 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.20 1ap4 h PHE 74 Cb 1.27 0.36 -0.06 0.00 2.79 0.00 0.00 35.95 40.31 1ap4 h PHE 74 CO 0.43 -0.33 0.54 -0.44 -2.23 0.00 0.00 178.31 176.28 1ap4 h ASP 75 N -0.09 0.72 0.16 0.41 5.19 -2.01 -2.26 116.42 118.54 1ap4 h ASP 75 Ca 0.27 0.02 -0.27 0.00 -0.62 0.00 0.00 57.03 56.43 1ap4 h ASP 75 Cb 0.51 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 39.90 1ap4 h ASP 75 CO -0.66 0.44 -1.27 -0.33 -3.12 0.00 0.00 179.24 174.29 1ap4 h GLU 76 N 0.81 0.33 -0.97 3.56 5.08 -0.55 -3.28 114.58 119.56 1ap4 h GLU 76 Ca 0.37 -0.57 0.26 0.00 -1.00 0.00 0.00 59.36 58.42 1ap4 h GLU 76 Cb 0.38 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 1ap4 h GLU 76 CO -0.14 1.27 0.67 0.35 -1.00 0.00 0.00 179.01 180.16 1ap4 h PHE 77 N -0.20 0.28 0.10 4.33 3.57 0.37 -0.34 116.94 125.05 1ap4 h PHE 77 Ca -0.25 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.26 1ap4 h PHE 77 Cb 1.83 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.49 1ap4 h PHE 77 CO 0.15 0.05 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.16 1ap4 h LEU 78 N 0.19 -0.12 -0.16 0.59 3.38 -1.50 -2.86 115.31 114.83 1ap4 h LEU 78 Ca 0.49 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.50 1ap4 h LEU 78 Cb 1.61 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 42.32 1ap4 h LEU 78 CO -0.11 -0.01 -0.52 0.58 0.09 0.00 0.00 178.44 178.47 1ap4 h VAL 79 N -0.29 0.03 -1.46 1.22 2.07 -1.55 0.47 116.25 116.75 1ap4 h VAL 79 Ca -0.01 0.00 0.42 0.00 0.82 0.00 0.00 66.70 67.93 1ap4 h VAL 79 Cb 0.10 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 29.85 1ap4 h VAL 79 CO 0.02 0.00 1.05 0.00 0.02 0.00 0.00 177.57 178.66 1ap4 h MET 80 N -0.55 0.00 0.15 1.57 -0.00 -1.21 0.94 114.93 115.83 1ap4 h MET 80 Ca 0.05 -0.00 -0.29 0.00 -0.00 0.00 0.00 59.70 59.46 1ap4 h MET 80 Cb 0.67 -0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.28 1ap4 h MET 80 CO -0.45 0.00 -1.27 1.98 -0.00 0.00 0.00 176.91 177.17 1ap4 h MET 81 N 0.00 0.36 0.00 -0.10 -1.53 0.10 -3.02 114.93 110.75 1ap4 h MET 81 Ca 0.70 -0.59 0.00 0.00 -3.44 0.00 0.00 59.70 56.37 1ap4 h MET 81 Cb 2.79 0.21 0.00 0.00 -0.55 0.00 0.00 31.60 34.05 1ap4 h MET 81 CO -0.01 1.27 0.00 1.55 0.14 0.00 0.00 176.91 179.86 1ap4 n VAL 82 N -3.61 0.98 -0.07 -5.77 3.14 0.32 -2.44 118.33 110.88 1ap4 n VAL 82 Ca -0.10 0.24 -0.11 0.00 -2.96 0.00 0.00 64.34 61.41 1ap4 n VAL 82 Cb 1.03 -1.00 -0.15 0.00 -1.06 0.00 0.00 33.84 32.66 1ap4 n VAL 82 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1ap4 n ARG 83 N -1.53 0.67 0.17 1.45 1.74 -0.68 -3.69 116.66 114.79 1ap4 n ARG 83 Ca 0.03 0.14 0.06 0.00 -0.77 0.00 0.00 57.85 57.31 1ap4 n ARG 83 Cb 0.18 -1.63 0.11 0.00 -1.02 0.00 0.00 32.46 30.10 1ap4 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ap4 h MET 85 N 0.00 0.00 0.00 0.00 -0.00 -1.65 -3.47 114.93 109.81 1ap4 h MET 85 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1ap4 h MET 85 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.80 1ap4 h MET 85 CO 0.04 0.70 0.00 1.17 -0.00 0.00 0.00 176.91 178.82 1ap4 n LYS 86 N -3.19 0.00 -3.05 -0.10 4.81 -1.23 -4.55 118.16 110.86 1ap4 n LYS 86 Ca -0.06 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.26 1ap4 n LYS 86 Cb 0.94 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.96 1ap4 n LYS 86 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ap4 n ASP 87 N 1.50 1.32 0.06 3.14 8.00 -1.26 -5.02 116.55 124.29 1ap4 n ASP 87 Ca 0.00 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.57 1ap4 n ASP 87 Cb 0.00 0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ap4 n ASP 88 N -1.71 0.18 0.00 -2.24 2.03 -1.26 -5.17 116.55 108.37 1ap4 n ASP 88 Ca -0.04 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1ap4 n ASP 88 Cb 0.26 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74