#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 6.44 -2.10 7.83 5.68 -1.26 -4.92 116.55 128.21 1ap4 n ASP 2 Ca 0.00 -3.13 0.00 0.00 -0.50 0.00 0.00 54.79 51.16 1ap4 n ASP 2 Cb 0.00 -1.18 0.00 0.00 -1.14 0.00 0.00 41.12 38.80 1ap4 n ASP 2 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1ap4 n ASP 3 N 0.73 -8.63 0.00 -1.12 8.00 -1.26 -5.02 116.55 109.25 1ap4 n ASP 3 Ca 0.42 1.42 0.00 0.00 0.71 0.00 0.00 54.79 57.35 1ap4 n ASP 3 Cb 0.58 -4.99 0.00 0.00 -0.02 0.00 0.00 41.12 36.69 1ap4 n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ap4 n ILE 4 N 1.96 0.00 -0.25 0.53 5.41 -1.26 -4.68 119.36 121.07 1ap4 n ILE 4 Ca 0.00 0.10 0.05 0.00 1.00 0.00 0.00 62.75 63.90 1ap4 n ILE 4 Cb 0.00 -0.98 0.29 0.00 -0.71 0.00 0.00 39.64 38.24 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 0.93 -0.34 1.39 -1.99 -2.01 -0.35 116.97 114.60 1ap4 h TYR 5 Ca 0.00 0.02 0.10 0.00 2.00 0.00 0.00 58.73 60.85 1ap4 h TYR 5 Cb 0.00 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.41 1ap4 h TYR 5 CO 0.00 0.49 0.62 0.87 -0.00 0.00 0.00 178.16 180.15 1ap4 h LYS 6 N 0.92 0.00 0.00 4.88 1.57 -1.98 0.00 116.57 121.96 1ap4 h LYS 6 Ca 0.35 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 1ap4 h LYS 6 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1ap4 h LYS 6 CO -0.12 0.00 -0.06 0.00 -0.57 0.00 0.00 179.45 178.70 1ap4 h ALA 7 N 1.07 0.01 -0.70 3.86 0.00 -1.33 -3.19 119.26 118.99 1ap4 h ALA 7 Ca 0.16 -0.48 0.20 0.00 0.00 0.00 0.00 54.91 54.79 1ap4 h ALA 7 Cb 1.41 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1ap4 h ALA 7 CO -0.00 0.03 0.63 0.00 0.00 0.00 0.00 179.25 179.91 1ap4 h ALA 8 N -0.13 2.52 -0.05 0.00 0.00 -1.06 0.26 119.26 120.81 1ap4 h ALA 8 Ca -0.01 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 1ap4 h ALA 8 Cb 0.91 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.77 1ap4 h ALA 8 CO -0.01 -0.99 -0.94 0.28 0.00 0.00 0.00 179.25 177.59 1ap4 h VAL 9 N 0.00 1.28 0.00 0.00 2.07 -1.53 -3.15 116.25 114.92 1ap4 h VAL 9 Ca 0.33 -2.14 -0.04 0.00 0.82 0.00 0.00 66.70 65.67 1ap4 h VAL 9 Cb 1.59 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.61 1ap4 h VAL 9 CO -0.00 0.67 -0.20 -0.08 0.02 0.00 0.00 177.57 177.97 1ap4 h GLU 10 N 0.43 0.00 0.00 1.57 4.22 -0.53 -2.73 114.58 117.54 1ap4 h GLU 10 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1ap4 h GLU 10 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 1ap4 h GLU 10 CO 0.19 0.20 0.00 1.04 -2.18 0.00 0.00 179.01 178.26 1ap4 n GLN 11 N -3.31 0.12 -0.94 1.92 3.00 -0.39 -4.75 117.38 113.02 1ap4 n GLN 11 Ca 0.01 0.43 -0.31 0.00 -0.01 0.00 0.00 57.00 57.11 1ap4 n GLN 11 Cb 0.45 -1.76 0.13 0.00 0.00 0.00 0.00 30.24 29.07 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 -3.99 2.90 0.73 1.08 1.43 -1.03 -5.01 118.68 114.80 1ap4 s LEU 12 Ca 0.03 2.02 -0.10 0.00 -1.03 0.00 0.00 54.13 55.05 1ap4 s LEU 12 Cb 0.08 -4.53 0.05 0.00 0.03 0.00 0.00 46.19 41.82 1ap4 s LEU 12 CO 0.29 -2.65 1.09 0.42 0.23 0.00 0.00 176.35 175.72 1ap4 s THR 13 N -2.76 2.63 0.24 5.49 -4.23 -1.26 -4.95 115.64 110.80 1ap4 s THR 13 Ca 0.64 0.06 -0.02 0.00 -1.18 0.00 0.00 61.69 61.20 1ap4 s THR 13 Cb -0.20 -3.17 0.05 0.00 1.34 0.00 0.00 72.50 70.51 1ap4 s THR 13 CO 0.57 -0.21 1.67 -0.08 -0.54 0.00 0.00 174.62 176.03 1ap4 h GLU 14 N -0.75 0.65 0.00 3.99 4.81 -1.96 -2.11 114.58 119.22 1ap4 h GLU 14 Ca -0.45 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.52 1ap4 h GLU 14 Cb 1.30 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1ap4 h GLU 14 CO 0.64 0.83 0.00 -0.85 -0.73 0.00 0.00 179.01 178.89 1ap4 n GLU 15 N -4.12 0.10 0.04 1.92 0.28 -1.26 -2.86 120.64 114.75 1ap4 n GLU 15 Ca -0.00 0.10 -0.02 0.00 -0.16 0.00 0.00 57.16 57.08 1ap4 n GLU 15 Cb 0.42 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.78 1ap4 n GLU 15 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1ap4 h GLN 16 N 0.00 -0.12 -0.10 3.44 4.15 -1.74 -2.99 115.11 117.76 1ap4 h GLN 16 Ca 0.00 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1ap4 h GLN 16 Cb 0.33 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1ap4 h GLN 16 CO 0.00 -0.08 -0.02 1.57 -1.93 0.00 0.00 178.83 178.37 1ap4 h LYS 17 N -0.34 0.13 -0.98 1.69 2.10 -1.67 -2.10 116.57 115.41 1ap4 h LYS 17 Ca -0.01 -0.02 0.03 0.00 -2.00 0.00 0.00 60.65 58.65 1ap4 h LYS 17 Cb 0.09 -0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 31.34 1ap4 h LYS 17 CO 0.02 0.17 0.64 -0.91 -2.00 0.00 0.00 179.45 177.37 1ap4 h ASN 18 N 0.14 1.09 -0.40 7.07 2.35 -1.63 -0.15 115.58 124.03 1ap4 h ASN 18 Ca 0.03 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1ap4 h ASN 18 Cb 0.13 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1ap4 h ASN 18 CO 0.00 0.76 -0.17 -0.08 -1.65 0.00 0.00 177.43 176.29 1ap4 h GLU 19 N 1.27 0.83 -0.38 0.81 4.81 -1.22 -2.93 114.58 117.78 1ap4 h GLU 19 Ca 0.38 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1ap4 h GLU 19 Cb -0.04 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1ap4 h GLU 19 CO -0.11 0.99 -0.02 0.74 -0.73 0.00 0.00 179.01 179.88 1ap4 h PHE 20 N 0.65 0.63 -0.18 0.92 0.04 -1.25 -2.94 116.94 114.81 1ap4 h PHE 20 Ca 0.09 -0.08 0.05 0.00 2.80 0.00 0.00 57.97 60.84 1ap4 h PHE 20 Cb 0.73 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.63 1ap4 h PHE 20 CO 0.06 0.62 -0.27 -0.22 -0.60 0.00 0.00 178.31 177.90 1ap4 h LYS 21 N 0.57 -0.30 -0.89 1.51 3.64 -0.85 1.15 116.57 121.40 1ap4 h LYS 21 Ca 0.12 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1ap4 h LYS 21 Cb 0.39 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.22 1ap4 h LYS 21 CO 0.02 -0.20 0.57 0.00 -2.27 0.00 0.00 179.45 177.57 1ap4 h ALA 22 N 0.64 1.19 -0.42 5.00 0.00 -1.52 -2.00 119.26 122.15 1ap4 h ALA 22 Ca 0.12 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1ap4 h ALA 22 Cb 0.48 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ap4 h ALA 22 CO -0.36 0.39 -0.32 0.00 0.00 0.00 0.00 179.25 178.97 1ap4 h ALA 23 N 1.38 0.62 -0.82 0.00 0.00 -1.00 -3.06 119.26 116.38 1ap4 h ALA 23 Ca 0.37 -0.43 0.20 0.00 0.00 0.00 0.00 54.91 55.05 1ap4 h ALA 23 Cb 0.06 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 17.57 1ap4 h ALA 23 CO -0.14 0.68 0.15 0.35 0.00 0.00 0.00 179.25 180.29 1ap4 h PHE 24 N 0.80 0.20 0.00 0.00 3.04 0.21 1.97 116.94 123.16 1ap4 h PHE 24 Ca 0.08 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.08 1ap4 h PHE 24 Cb 0.91 0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.46 1ap4 h PHE 24 CO 0.06 -0.20 0.00 -0.25 -2.02 0.00 0.00 178.31 175.89 1ap4 n ASP 25 N -5.26 0.11 -0.00 0.41 8.00 -1.14 -2.25 116.55 116.42 1ap4 n ASP 25 Ca 0.18 0.53 -0.09 0.00 0.71 0.00 0.00 54.79 56.12 1ap4 n ASP 25 Cb 0.58 -0.55 -0.14 0.00 -0.02 0.00 0.00 41.12 40.99 1ap4 n ASP 25 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ap4 h ILE 26 N 0.00 0.98 0.00 0.53 1.08 0.31 -3.32 117.51 117.09 1ap4 h ILE 26 Ca 0.00 -2.80 -0.25 0.00 -0.39 0.00 0.00 64.86 61.42 1ap4 h ILE 26 Cb 0.21 2.50 -0.04 0.00 -3.07 0.00 0.00 36.82 36.42 1ap4 h ILE 26 CO 0.00 0.59 -1.39 -0.26 -0.69 0.00 0.00 178.15 176.40 1ap4 h PHE 27 N 0.01 0.00 -0.16 1.37 0.04 -0.99 -3.28 116.94 113.92 1ap4 h PHE 27 Ca -0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.52 1ap4 h PHE 27 Cb 1.98 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.13 1ap4 h PHE 27 CO 0.01 0.97 0.00 1.33 -0.60 0.00 0.00 178.31 180.02 1ap4 n VAL 28 N -3.16 0.28 -0.16 -0.55 0.24 -0.96 -4.17 118.33 109.85 1ap4 n VAL 28 Ca -0.10 -0.23 0.28 0.00 -2.04 0.00 0.00 64.34 62.26 1ap4 n VAL 28 Cb 0.99 0.02 0.72 0.00 -1.47 0.00 0.00 33.84 34.10 1ap4 n VAL 28 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1ap4 h LEU 29 N 0.93 0.00 -0.31 1.34 5.85 -1.66 0.18 115.31 121.63 1ap4 h LEU 29 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ap4 h LEU 29 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1ap4 h LEU 29 CO 0.02 0.00 -0.35 0.61 -0.34 0.00 0.00 178.44 178.38 1ap4 n GLY 30 N -1.68 -0.00 3.51 3.75 0.00 -1.26 -5.02 105.19 104.49 1ap4 n GLY 30 Ca 0.18 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.82 -2.02 -0.11 4.61 0.00 0.62 -4.96 120.51 117.84 1ap4 n ALA 31 Ca 0.03 -0.65 -0.13 0.00 0.00 0.00 0.00 53.44 52.69 1ap4 n ALA 31 Cb 0.17 -1.94 -0.12 0.00 0.00 0.00 0.00 19.45 17.56 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 -2.82 0.76 -0.34 0.00 1.02 -1.26 -4.50 120.64 113.49 1ap4 n GLU 32 Ca 0.08 0.08 0.07 0.00 -0.02 0.00 0.00 57.16 57.38 1ap4 n GLU 32 Cb 0.53 -1.46 0.22 0.00 -0.02 0.00 0.00 31.44 30.71 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 -2.98 3.49 -1.64 1.62 5.68 -1.26 -4.97 116.55 116.48 1ap4 n ASP 33 Ca -0.37 -2.64 -0.01 0.00 -0.50 0.00 0.00 54.79 51.27 1ap4 n ASP 33 Cb 0.99 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 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 -0.17 0.39 3.20 6.12 0.00 -1.26 -5.09 105.19 108.38 1ap4 n GLY 34 Ca 0.17 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.08 2.93 0.23 0.00 1.01 0.35 -4.01 121.20 117.63 1ap4 s ILE 36 Ca 0.28 -2.33 -0.04 0.00 0.00 0.00 0.00 60.65 58.57 1ap4 s ILE 36 Cb 0.07 -3.04 0.06 0.00 0.01 0.00 0.00 42.46 39.55 1ap4 s ILE 36 CO 0.05 -0.68 0.23 -1.20 0.00 0.00 0.00 174.94 173.34 1ap4 n SER 37 N 4.27 -0.92 -0.01 3.58 7.64 -1.26 0.32 113.62 127.24 1ap4 n SER 37 Ca 0.01 -0.74 -0.11 0.00 1.01 0.00 0.00 58.87 59.05 1ap4 n SER 37 Cb 0.41 -0.20 -0.09 0.00 -1.01 0.00 0.00 64.21 63.32 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 -1.60 1.12 -1.57 0.44 1.35 -1.95 -3.20 112.91 107.50 1ap4 h THR 38 Ca -0.08 -1.56 0.45 0.00 -0.55 0.00 0.00 66.41 64.67 1ap4 h THR 38 Cb 0.24 2.01 -0.06 0.00 -1.73 0.00 0.00 68.15 68.61 1ap4 h THR 38 CO 0.05 0.34 1.18 0.11 -0.25 0.00 0.00 175.52 176.96 1ap4 h LYS 39 N -0.89 0.00 -0.97 4.72 1.79 -1.96 1.34 116.57 120.59 1ap4 h LYS 39 Ca -0.01 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.84 1ap4 h LYS 39 Cb 0.62 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 30.97 1ap4 h LYS 39 CO 0.01 0.00 0.72 0.39 -1.08 0.00 0.00 179.45 179.50 1ap4 n GLU 40 N -3.93 2.60 0.00 3.15 1.02 -1.21 -4.26 120.64 118.01 1ap4 n GLU 40 Ca 0.35 -3.26 0.00 0.00 -0.02 0.00 0.00 57.16 54.23 1ap4 n GLU 40 Cb 1.67 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.97 0.00 0.00 -4.62 -0.00 0.46 -4.52 117.00 107.35 1ap4 n LEU 41 Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.62 1ap4 n LEU 41 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.36 1ap4 n LEU 41 CO 0.72 0.00 0.23 0.61 -0.00 0.00 0.00 177.39 178.95 1ap4 n GLY 42 N 2.65 -1.51 0.50 -3.96 0.00 -1.25 -1.71 105.19 99.90 1ap4 n GLY 42 Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.32 1ap4 n GLY 42 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ap4 h LYS 43 N 0.00 0.00 -0.62 1.61 2.10 -1.88 0.59 116.57 118.37 1ap4 h LYS 43 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 1ap4 h LYS 43 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1ap4 h LYS 43 CO 0.00 0.00 0.02 0.28 -2.00 0.00 0.00 179.45 177.75 1ap4 h VAL 44 N 0.00 1.27 0.00 0.07 2.07 -1.77 -2.12 116.25 115.76 1ap4 h VAL 44 Ca 0.46 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1ap4 h VAL 44 Cb 2.07 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1ap4 h VAL 44 CO -0.00 0.42 -0.18 0.24 0.02 0.00 0.00 177.57 178.06 1ap4 h MET 45 N 0.99 0.00 -0.07 1.57 2.86 0.11 -2.02 114.93 118.36 1ap4 h MET 45 Ca 0.18 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.62 1ap4 h MET 45 Cb 0.55 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.22 1ap4 h MET 45 CO 0.03 0.18 -0.72 0.00 1.06 0.00 0.00 176.91 177.46 1ap4 h ARG 46 N 0.00 0.61 -0.00 1.72 3.08 -0.89 2.13 114.38 121.02 1ap4 h ARG 46 Ca -0.00 -0.56 -0.16 0.00 0.07 0.00 0.00 59.98 59.33 1ap4 h ARG 46 Cb 0.84 0.14 0.01 0.00 0.08 0.00 0.00 29.97 31.04 1ap4 h ARG 46 CO 0.02 1.18 -0.61 0.00 -1.07 0.00 0.00 179.97 179.50 1ap4 h MET 47 N 0.24 0.42 -0.41 0.04 -0.00 -1.37 -3.17 114.93 110.69 1ap4 h MET 47 Ca -0.07 -0.44 0.12 0.00 -0.00 0.00 0.00 59.70 59.30 1ap4 h MET 47 Cb 1.38 0.12 -0.02 0.00 -0.00 0.00 0.00 31.60 33.08 1ap4 h MET 47 CO 0.15 1.11 0.31 -0.07 -0.00 0.00 0.00 176.91 178.41 1ap4 h LEU 48 N -0.09 0.00 0.00 -0.10 3.38 -1.46 -3.44 115.31 113.60 1ap4 h LEU 48 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ap4 h LEU 48 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1ap4 h LEU 48 CO 0.12 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.26 1ap4 n GLY 49 N -1.59 2.00 3.45 0.83 0.00 -1.11 -5.09 105.19 103.68 1ap4 n GLY 49 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.04 1.62 -0.39 1.61 -1.52 0.72 -5.00 119.66 116.65 1ap4 s GLN 50 Ca 0.00 -1.86 0.09 0.00 -1.95 0.00 0.00 55.36 51.64 1ap4 s GLN 50 Cb 0.00 -1.08 0.29 0.00 -0.22 0.00 0.00 33.01 32.00 1ap4 s GLN 50 CO 0.00 -0.05 0.65 0.27 -0.25 0.00 0.00 175.29 175.91 1ap4 n ASN 51 N -0.65 0.07 -2.57 5.90 6.94 -1.26 -3.30 115.26 120.39 1ap4 n ASN 51 Ca -0.04 -2.90 -0.07 0.00 -0.02 0.00 0.00 54.58 51.55 1ap4 n ASN 51 Cb 0.65 -0.32 0.05 0.00 -2.36 0.00 0.00 39.78 37.80 1ap4 n ASN 51 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1ap4 n PRO 52 N 0.95 -0.85 -4.46 -0.53 -0.04 -1.26 -5.09 135.00 123.72 1ap4 n PRO 52 Ca 0.21 -0.43 -0.23 0.00 -0.04 0.00 0.00 63.50 63.01 1ap4 n PRO 52 Cb 0.59 -0.34 -0.10 0.00 -0.04 0.00 0.00 33.50 33.61 1ap4 n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ap4 s THR 53 N -1.56 1.89 0.18 0.52 -4.23 -1.26 -5.03 115.64 106.16 1ap4 s THR 53 Ca 0.17 -2.17 0.19 0.00 -1.18 0.00 0.00 61.69 58.69 1ap4 s THR 53 Cb -0.01 -2.48 0.14 0.00 1.34 0.00 0.00 72.50 71.49 1ap4 s THR 53 CO 0.12 -0.29 1.75 1.55 -0.54 0.00 0.00 174.62 177.21 1ap4 h PRO 54 N 2.21 0.00 0.00 3.99 0.13 -2.00 -1.47 132.00 134.86 1ap4 h PRO 54 Ca -0.40 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.59 1ap4 h PRO 54 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1ap4 h PRO 54 CO 0.67 0.36 -0.63 1.49 -0.23 0.00 0.00 178.00 179.67 1ap4 h GLU 55 N 0.00 0.00 0.13 0.86 4.57 -2.02 -3.28 114.58 114.85 1ap4 h GLU 55 Ca -0.00 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.82 1ap4 h GLU 55 Cb 0.87 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1ap4 h GLU 55 CO 0.05 0.63 -1.88 0.93 -1.18 0.00 0.00 179.01 177.56 1ap4 h GLU 56 N 0.00 0.27 -0.31 1.92 3.07 -1.93 -3.25 114.58 114.36 1ap4 h GLU 56 Ca -0.01 -0.47 0.03 0.00 -0.50 0.00 0.00 59.36 58.41 1ap4 h GLU 56 Cb 1.17 0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 29.21 1ap4 h GLU 56 CO 0.08 1.17 -0.23 -0.07 -1.40 0.00 0.00 179.01 178.56 1ap4 h LEU 57 N 0.07 -0.82 -0.25 1.33 4.07 -1.32 1.07 115.31 119.47 1ap4 h LEU 57 Ca -0.38 0.12 -0.00 0.00 0.08 0.00 0.00 57.88 57.70 1ap4 h LEU 57 Cb 2.05 0.35 -0.01 0.00 1.08 0.00 0.00 40.66 44.13 1ap4 h LEU 57 CO 0.12 -0.12 0.14 -0.61 -1.08 0.00 0.00 178.44 176.89 1ap4 h GLN 58 N -0.06 0.34 0.42 1.13 -0.00 -1.76 -2.40 115.11 112.78 1ap4 h GLN 58 Ca 0.05 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 1ap4 h GLN 58 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.58 1ap4 h GLN 58 CO -0.32 0.29 -0.39 1.49 0.00 0.00 0.00 178.83 179.89 1ap4 h GLU 59 N 0.30 -0.77 0.00 1.69 4.57 -1.31 -0.58 114.58 118.48 1ap4 h GLU 59 Ca 0.09 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1ap4 h GLU 59 Cb 0.04 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1ap4 h GLU 59 CO -0.02 -0.52 0.00 -0.12 -1.18 0.00 0.00 179.01 177.18 1ap4 n MET 60 N -4.79 0.00 -0.19 1.92 1.56 0.36 -0.36 117.12 115.62 1ap4 n MET 60 Ca -0.10 0.77 0.30 0.00 -0.27 0.00 0.00 57.70 58.40 1ap4 n MET 60 Cb 0.36 -1.48 0.62 0.00 2.15 0.00 0.00 33.22 34.87 1ap4 n MET 60 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 1ap4 h ILE 61 N 0.00 0.16 -0.30 1.12 2.04 -1.46 2.11 117.51 121.18 1ap4 h ILE 61 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ap4 h ILE 61 Cb 0.00 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1ap4 h ILE 61 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.48 1ap4 n ASP 62 N -3.58 2.30 0.00 1.72 2.03 0.51 -3.36 116.55 116.17 1ap4 n ASP 62 Ca 0.21 -2.16 0.00 0.00 0.52 0.00 0.00 54.79 53.36 1ap4 n ASP 62 Cb 1.28 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 41.32 1ap4 n ASP 62 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ap4 n GLU 63 N 0.39 0.00 0.06 -0.67 2.13 0.71 -4.80 120.64 118.46 1ap4 n GLU 63 Ca 0.12 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.84 1ap4 n GLU 63 Cb 0.43 -0.53 0.03 0.00 0.27 0.00 0.00 31.44 31.64 1ap4 n GLU 63 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1ap4 h VAL 64 N 0.00 1.39 -0.48 6.31 3.04 -1.60 -3.44 116.25 121.47 1ap4 h VAL 64 Ca 0.00 -2.20 -0.76 0.00 -1.01 0.00 0.00 66.70 62.73 1ap4 h VAL 64 Cb 0.67 2.17 -0.02 0.00 -2.01 0.00 0.00 31.29 32.09 1ap4 h VAL 64 CO 0.00 0.66 1.23 -0.67 -1.01 0.00 0.00 177.57 177.78 1ap4 n ASP 65 N -3.81 1.24 0.08 3.17 2.03 -1.21 -4.78 116.55 113.26 1ap4 n ASP 65 Ca -0.04 0.71 -0.08 0.00 0.52 0.00 0.00 54.79 55.90 1ap4 n ASP 65 Cb 0.72 -1.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.04 1ap4 n ASP 65 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1ap4 h GLU 66 N 9.13 0.06 0.16 -0.67 4.81 -1.93 -3.33 114.58 122.81 1ap4 h GLU 66 Ca -0.21 -0.09 -0.36 0.00 -0.13 0.00 0.00 59.36 58.57 1ap4 h GLU 66 Cb 1.38 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.79 1ap4 h GLU 66 CO 1.05 0.99 -1.88 0.38 -0.73 0.00 0.00 179.01 178.83 1ap4 h ASP 67 N 0.02 0.52 0.00 1.04 2.03 -1.99 -3.48 116.42 114.56 1ap4 h ASP 67 Ca -0.03 -0.95 0.00 0.00 -0.73 0.00 0.00 57.03 55.32 1ap4 h ASP 67 Cb 1.71 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 40.04 1ap4 h ASP 67 CO 0.14 1.83 0.00 0.61 -1.03 0.00 0.00 179.24 180.79 1ap4 n GLY 68 N 1.93 1.35 0.05 7.15 0.00 -1.25 -4.96 105.19 109.45 1ap4 n GLY 68 Ca -0.28 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.56 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 0.64 0.36 0.00 1.61 3.41 -1.26 -4.90 113.62 113.49 1ap4 n SER 69 Ca 0.00 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1ap4 n SER 69 Cb 0.13 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 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 1.07 1.95 3.89 5.00 0.00 -1.26 -4.98 105.19 110.86 1ap4 n GLY 70 Ca 0.05 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.37 4.90 -0.17 2.61 -4.23 -1.26 -4.38 115.64 112.74 1ap4 s THR 71 Ca 0.00 0.33 -0.01 0.00 -1.18 0.00 0.00 61.69 60.84 1ap4 s THR 71 Cb 0.00 -3.75 -0.00 0.00 1.34 0.00 0.00 72.50 70.09 1ap4 s THR 71 CO 0.00 -0.46 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.80 1ap4 s VAL 72 N -2.28 2.82 0.00 2.29 1.01 0.15 -4.90 120.40 119.49 1ap4 s VAL 72 Ca 0.48 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1ap4 s VAL 72 Cb -0.10 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.06 1ap4 s VAL 72 CO 0.32 0.50 0.00 -0.67 0.00 0.00 0.00 175.10 175.25 1ap4 n ASP 73 N 4.18 0.00 0.06 3.32 2.03 -1.26 0.13 116.55 125.01 1ap4 n ASP 73 Ca -0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.12 1ap4 n ASP 73 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1ap4 n ASP 73 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1ap4 n PHE 74 N 0.00 -0.42 -0.35 -0.67 -0.00 -1.26 -4.19 117.46 110.56 1ap4 n PHE 74 Ca 0.00 0.07 0.11 0.00 -0.00 0.00 0.00 57.45 57.63 1ap4 n PHE 74 Cb 0.00 0.10 0.30 0.00 -0.00 0.00 0.00 39.48 39.88 1ap4 n PHE 74 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.76 176.98 1ap4 h ASP 75 N 0.00 0.83 0.62 -2.13 1.82 -2.00 0.12 116.42 115.69 1ap4 h ASP 75 Ca 0.00 0.08 -0.28 0.00 -0.39 0.00 0.00 57.03 56.44 1ap4 h ASP 75 Cb 0.00 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 39.92 1ap4 h ASP 75 CO 0.00 0.36 -1.34 -0.33 -1.61 0.00 0.00 179.24 176.32 1ap4 h GLU 76 N 0.85 0.19 -0.56 0.28 5.08 -1.96 -3.16 114.58 115.30 1ap4 h GLU 76 Ca 0.54 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1ap4 h GLU 76 Cb 0.75 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1ap4 h GLU 76 CO -0.33 1.09 0.09 0.35 -1.00 0.00 0.00 179.01 179.21 1ap4 h PHE 77 N 0.05 0.95 -0.31 4.33 3.04 -1.36 -2.90 116.94 120.74 1ap4 h PHE 77 Ca -0.16 -0.11 -0.18 0.00 3.98 0.00 0.00 57.97 61.50 1ap4 h PHE 77 Cb 1.95 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 40.20 1ap4 h PHE 77 CO 0.05 0.82 -0.50 -0.07 -2.02 0.00 0.00 178.31 176.59 1ap4 h LEU 78 N 0.86 0.96 -2.06 0.59 3.38 -0.91 -2.94 115.31 115.19 1ap4 h LEU 78 Ca 0.18 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.74 1ap4 h LEU 78 Cb 0.38 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1ap4 h LEU 78 CO 0.01 1.28 0.22 0.58 0.09 0.00 0.00 178.44 180.62 1ap4 h VAL 79 N 0.69 0.75 -0.33 1.22 2.07 -1.47 -0.81 116.25 118.36 1ap4 h VAL 79 Ca 0.03 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.38 1ap4 h VAL 79 Cb 1.10 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1ap4 h VAL 79 CO 0.11 0.00 -0.45 0.24 0.02 0.00 0.00 177.57 177.49 1ap4 h MET 80 N 0.00 0.86 0.62 1.57 2.86 -1.41 -2.47 114.93 116.96 1ap4 h MET 80 Ca 0.13 -0.49 -0.03 0.00 -2.06 0.00 0.00 59.70 57.25 1ap4 h MET 80 Cb 0.57 0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.27 1ap4 h MET 80 CO -0.00 1.13 -0.30 0.52 1.06 0.00 0.00 176.91 179.32 1ap4 h MET 81 N 0.69 -0.80 -0.89 1.72 2.07 -1.19 -3.03 114.93 113.50 1ap4 h MET 81 Ca 0.04 0.05 0.25 0.00 -2.07 0.00 0.00 59.70 57.98 1ap4 h MET 81 Cb 1.04 0.18 -0.04 0.00 -1.87 0.00 0.00 31.60 30.91 1ap4 h MET 81 CO 0.10 -0.53 0.63 -0.24 1.07 0.00 0.00 176.91 177.94 1ap4 h VAL 82 N -1.16 0.57 0.00 -2.22 3.04 -1.54 -2.33 116.25 112.61 1ap4 h VAL 82 Ca -0.08 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 1ap4 h VAL 82 Cb 0.64 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 1ap4 h VAL 82 CO 0.14 0.01 0.00 0.54 -1.01 0.00 0.00 177.57 177.25 1ap4 n ARG 83 N -4.30 0.00 -0.19 4.17 1.74 -0.93 -2.42 116.66 114.72 1ap4 n ARG 83 Ca 0.18 0.46 -0.00 0.00 -0.77 0.00 0.00 57.85 57.73 1ap4 n ARG 83 Cb 0.93 -1.35 0.10 0.00 -1.02 0.00 0.00 32.46 31.12 1ap4 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ap4 n MET 85 N -5.10 0.00 -1.83 0.00 2.81 -0.89 -4.44 117.12 107.67 1ap4 n MET 85 Ca 0.08 0.11 -0.40 0.00 -1.81 0.00 0.00 57.70 55.68 1ap4 n MET 85 Cb 0.29 -0.63 0.01 0.00 -0.71 0.00 0.00 33.22 32.19 1ap4 n MET 85 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1ap4 s LYS 86 N -0.26 3.76 -0.07 0.03 1.02 -1.02 -5.01 119.74 118.20 1ap4 s LYS 86 Ca 0.00 2.40 0.04 0.00 0.02 0.00 0.00 55.97 58.43 1ap4 s LYS 86 Cb 0.00 -2.70 -0.02 0.00 -0.52 0.00 0.00 37.83 34.60 1ap4 s LYS 86 CO 0.00 -0.75 -0.20 0.16 -0.92 0.00 0.00 175.35 173.64 1ap4 s ASP 87 N -0.50 3.54 0.06 2.83 1.47 -1.26 -4.82 116.67 117.98 1ap4 s ASP 87 Ca 0.60 -0.38 0.00 0.00 1.18 0.00 0.00 52.55 53.95 1ap4 s ASP 87 Cb -0.43 -0.95 0.00 0.00 -0.34 0.00 0.00 42.92 41.20 1ap4 s ASP 87 CO 0.56 0.27 0.00 -0.67 0.68 0.00 0.00 175.17 176.01 1ap4 n ASP 88 N 2.82 0.09 0.00 2.11 -0.08 -1.26 -5.22 116.55 115.01 1ap4 n ASP 88 Ca -0.17 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 1ap4 n ASP 88 Cb 0.52 0.03 0.00 0.00 2.34 0.00 0.00 41.12 44.01 1ap4 n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08