#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 3.24 -0.43 6.12 8.00 -1.26 -4.75 116.55 127.47 1ap4 n ASP 2 Ca 0.00 -3.31 0.00 0.00 0.71 0.00 0.00 54.79 52.19 1ap4 n ASP 2 Cb 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 1ap4 n ASP 2 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ap4 n ASP 3 N 1.26 0.00 0.20 -2.24 -0.08 -1.26 -4.87 116.55 109.56 1ap4 n ASP 3 Ca 0.26 -1.52 0.15 0.00 -1.51 0.00 0.00 54.79 52.17 1ap4 n ASP 3 Cb 0.40 -0.10 0.69 0.00 2.34 0.00 0.00 41.12 44.45 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 1ap4 h ILE 4 N 5.75 0.00 0.06 5.18 3.07 -2.03 -2.33 117.51 127.22 1ap4 h ILE 4 Ca 0.00 -0.16 -0.24 0.00 1.55 0.00 0.00 64.86 66.01 1ap4 h ILE 4 Cb 1.21 0.90 -0.01 0.00 -0.27 0.00 0.00 36.82 38.65 1ap4 h ILE 4 CO 0.00 0.00 -1.09 1.88 -1.05 0.00 0.00 178.15 177.89 1ap4 h TYR 5 N 0.00 0.33 -1.00 0.16 -1.99 -2.00 -3.10 116.97 109.38 1ap4 h TYR 5 Ca 0.00 -0.23 0.02 0.00 2.00 0.00 0.00 58.73 60.52 1ap4 h TYR 5 Cb 0.20 -0.02 -0.05 0.00 2.00 0.00 0.00 36.73 38.86 1ap4 h TYR 5 CO 0.00 1.14 0.66 0.87 -0.00 0.00 0.00 178.16 180.83 1ap4 h LYS 6 N 0.07 1.28 -0.03 4.88 1.57 -1.80 -2.27 116.57 120.25 1ap4 h LYS 6 Ca -0.08 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1ap4 h LYS 6 Cb 1.80 -0.29 -0.00 0.00 0.08 0.00 0.00 32.23 33.83 1ap4 h LYS 6 CO 0.17 0.84 -0.03 0.00 -0.57 0.00 0.00 179.45 179.87 1ap4 h ALA 7 N 1.40 0.05 -0.75 3.86 0.00 -1.65 -2.36 119.26 119.81 1ap4 h ALA 7 Ca 0.38 -0.25 0.17 0.00 0.00 0.00 0.00 54.91 55.21 1ap4 h ALA 7 Cb -0.09 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.57 1ap4 h ALA 7 CO -0.10 -0.19 0.13 0.00 0.00 0.00 0.00 179.25 179.09 1ap4 h ALA 8 N 0.56 0.92 -0.46 0.00 0.00 -1.41 0.62 119.26 119.48 1ap4 h ALA 8 Ca 0.01 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1ap4 h ALA 8 Cb 0.50 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1ap4 h ALA 8 CO 0.01 -0.38 -0.08 0.28 0.00 0.00 0.00 179.25 179.07 1ap4 h VAL 9 N 0.20 1.26 0.00 0.00 2.07 -1.38 -2.55 116.25 115.86 1ap4 h VAL 9 Ca 0.42 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1ap4 h VAL 9 Cb 0.75 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1ap4 h VAL 9 CO -0.57 0.40 -0.14 -0.33 0.02 0.00 0.00 177.57 176.95 1ap4 h GLU 10 N 0.75 0.00 0.00 1.57 5.08 -0.07 -2.86 114.58 119.05 1ap4 h GLU 10 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1ap4 h GLU 10 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1ap4 h GLU 10 CO 0.03 0.14 0.00 1.04 -1.00 0.00 0.00 179.01 179.22 1ap4 n GLN 11 N -3.19 0.69 -2.17 2.33 3.00 0.18 -4.74 117.38 113.49 1ap4 n GLN 11 Ca 0.02 0.01 -0.43 0.00 -0.01 0.00 0.00 57.00 56.59 1ap4 n GLN 11 Cb 0.48 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 29.19 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 -2.27 3.52 0.38 1.08 1.43 -1.08 -4.94 118.68 116.81 1ap4 s LEU 12 Ca 0.37 1.01 -0.23 0.00 -1.03 0.00 0.00 54.13 54.25 1ap4 s LEU 12 Cb 0.20 -3.46 -0.14 0.00 0.03 0.00 0.00 46.19 42.82 1ap4 s LEU 12 CO 0.39 -1.62 0.53 0.35 0.23 0.00 0.00 176.35 176.23 1ap4 n THR 13 N 7.24 1.67 -0.32 5.49 -2.24 -1.26 -4.55 114.28 120.31 1ap4 n THR 13 Ca 0.20 -0.50 0.12 0.00 -2.27 0.00 0.00 64.05 61.60 1ap4 n THR 13 Cb 0.48 -0.45 0.34 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.87 0.73 0.00 -0.78 4.81 -1.95 0.55 114.58 118.81 1ap4 h GLU 14 Ca -0.38 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1ap4 h GLU 14 Cb 1.40 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1ap4 h GLU 14 CO 0.52 0.48 0.00 1.05 -0.73 0.00 0.00 179.01 180.34 1ap4 h GLU 15 N 0.75 0.00 0.00 1.92 4.11 -1.99 -2.14 114.58 117.23 1ap4 h GLU 15 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.94 1ap4 h GLU 15 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1ap4 h GLU 15 CO -0.27 0.00 0.00 0.94 0.07 0.00 0.00 179.01 179.75 1ap4 n GLN 16 N -2.81 0.00 -0.43 1.06 7.27 0.19 -3.47 117.38 119.19 1ap4 n GLN 16 Ca -0.01 0.17 0.35 0.00 0.07 0.00 0.00 57.00 57.59 1ap4 n GLN 16 Cb 0.17 -0.61 0.65 0.00 2.41 0.00 0.00 30.24 32.86 1ap4 n GLN 16 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 1ap4 h LYS 17 N 0.00 0.13 -0.79 3.69 2.10 -1.60 1.02 116.57 121.12 1ap4 h LYS 17 Ca 0.00 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.65 1ap4 h LYS 17 Cb 0.00 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 31.26 1ap4 h LYS 17 CO 0.00 0.08 0.53 -0.91 -2.00 0.00 0.00 179.45 177.15 1ap4 h ASN 18 N 0.13 0.91 -0.07 7.07 4.21 -1.54 -0.17 115.58 126.12 1ap4 h ASN 18 Ca 0.74 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 58.21 1ap4 h ASN 18 Cb 2.43 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 39.40 1ap4 h ASN 18 CO -0.28 0.66 -0.04 -0.08 -1.29 0.00 0.00 177.43 176.40 1ap4 h GLU 19 N 1.08 0.16 0.00 0.81 4.57 0.11 -2.89 114.58 118.41 1ap4 h GLU 19 Ca 0.29 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.39 1ap4 h GLU 19 Cb -0.13 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1ap4 h GLU 19 CO -0.06 0.54 -0.05 0.74 -1.18 0.00 0.00 179.01 178.99 1ap4 h PHE 20 N -0.23 0.00 -0.37 0.92 0.04 -1.20 -2.35 116.94 113.75 1ap4 h PHE 20 Ca 0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1ap4 h PHE 20 Cb 0.49 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 1ap4 h PHE 20 CO 0.07 0.05 0.21 -0.22 -0.60 0.00 0.00 178.31 177.83 1ap4 h LYS 21 N 0.00 0.51 -0.39 1.51 3.64 -0.83 -0.34 116.57 120.67 1ap4 h LYS 21 Ca -0.00 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1ap4 h LYS 21 Cb 0.10 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1ap4 h LYS 21 CO 0.01 0.40 0.27 0.00 -2.27 0.00 0.00 179.45 177.86 1ap4 h ALA 22 N 1.08 2.11 0.06 5.00 0.00 -1.34 -0.58 119.26 125.59 1ap4 h ALA 22 Ca 0.13 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.79 1ap4 h ALA 22 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ap4 h ALA 22 CO -0.02 -0.19 -1.08 0.00 0.00 0.00 0.00 179.25 177.95 1ap4 h ALA 23 N 1.80 0.27 -0.77 0.00 0.00 -1.32 -3.26 119.26 115.98 1ap4 h ALA 23 Ca 0.18 -0.84 0.12 0.00 0.00 0.00 0.00 54.91 54.37 1ap4 h ALA 23 Cb 0.45 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 1ap4 h ALA 23 CO -0.03 1.01 0.37 0.35 0.00 0.00 0.00 179.25 180.95 1ap4 h PHE 24 N 0.08 0.66 0.00 0.00 3.57 0.56 0.47 116.94 122.29 1ap4 h PHE 24 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1ap4 h PHE 24 Cb 1.79 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 40.35 1ap4 h PHE 24 CO 0.04 0.19 0.00 -0.25 -2.23 0.00 0.00 178.31 176.06 1ap4 n ASP 25 N -4.89 0.00 0.03 0.41 9.92 -1.12 -3.19 116.55 117.71 1ap4 n ASP 25 Ca 0.14 -0.01 -0.22 0.00 -0.53 0.00 0.00 54.79 54.17 1ap4 n ASP 25 Cb 0.35 -0.27 -0.14 0.00 -0.64 0.00 0.00 41.12 40.41 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 0.78 0.00 0.53 2.04 -0.14 -3.35 117.51 117.37 1ap4 h ILE 26 Ca 0.00 -2.41 -0.03 0.00 1.00 0.00 0.00 64.86 63.42 1ap4 h ILE 26 Cb 0.16 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1ap4 h ILE 26 CO 0.00 0.86 -0.16 -0.26 0.00 0.00 0.00 178.15 178.60 1ap4 h PHE 27 N 0.04 0.00 -0.37 1.37 0.04 -1.48 -2.91 116.94 113.64 1ap4 h PHE 27 Ca -0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.39 1ap4 h PHE 27 Cb 2.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.18 1ap4 h PHE 27 CO 0.09 0.16 0.00 1.33 -0.60 0.00 0.00 178.31 179.29 1ap4 n VAL 28 N -3.23 1.60 -0.34 -0.55 0.24 -1.22 -4.44 118.33 110.39 1ap4 n VAL 28 Ca 0.01 -0.84 0.17 0.00 -2.04 0.00 0.00 64.34 61.65 1ap4 n VAL 28 Cb 0.46 -0.30 0.39 0.00 -1.47 0.00 0.00 33.84 32.93 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 2.49 0.66 -3.98 1.34 -0.00 -1.64 -1.40 115.31 112.79 1ap4 h LEU 29 Ca 0.00 0.11 -0.52 0.00 -0.00 0.00 0.00 57.88 57.47 1ap4 h LEU 29 Cb 1.34 0.01 -0.43 0.00 -0.00 0.00 0.00 40.66 41.58 1ap4 h LEU 29 CO 0.28 0.15 -0.84 0.61 -0.00 0.00 0.00 178.44 178.63 1ap4 n GLY 30 N -1.35 5.92 4.01 0.83 0.00 -1.26 -5.05 105.19 108.28 1ap4 n GLY 30 Ca 0.26 -2.52 -0.22 0.00 0.00 0.00 0.00 46.02 43.53 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 -3.61 4.04 -0.05 4.61 0.00 -0.53 -5.05 121.76 121.18 1ap4 s ALA 31 Ca 0.48 -1.91 0.04 0.00 0.00 0.00 0.00 51.96 50.58 1ap4 s ALA 31 Cb 0.40 -1.81 -0.06 0.00 0.00 0.00 0.00 23.12 21.66 1ap4 s ALA 31 CO 0.01 -1.30 0.01 0.39 0.00 0.00 0.00 175.76 174.87 1ap4 n GLU 32 N -2.66 3.07 -0.20 0.00 -0.58 -1.26 -4.66 120.64 114.35 1ap4 n GLU 32 Ca 0.16 -0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.95 1ap4 n GLU 32 Cb 0.61 -1.12 0.15 0.00 -0.57 0.00 0.00 31.44 30.51 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 -2.20 2.96 -2.88 1.62 5.68 -1.26 -4.99 116.55 115.49 1ap4 n ASP 33 Ca -0.08 -2.20 -0.12 0.00 -0.50 0.00 0.00 54.79 51.89 1ap4 n ASP 33 Cb 0.65 -0.26 0.06 0.00 -1.14 0.00 0.00 41.12 40.42 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 -0.60 3.11 6.12 0.00 -1.26 -5.04 105.19 107.68 1ap4 n GLY 34 Ca 0.12 0.30 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.88 4.59 0.92 0.00 1.01 0.75 -4.47 121.20 121.12 1ap4 s ILE 36 Ca -0.03 -1.08 -0.11 0.00 0.00 0.00 0.00 60.65 59.43 1ap4 s ILE 36 Cb 0.00 -4.72 0.10 0.00 0.01 0.00 0.00 42.46 37.86 1ap4 s ILE 36 CO -0.06 -1.45 0.88 -0.24 0.00 0.00 0.00 174.94 174.06 1ap4 n SER 37 N 6.95 -0.51 0.08 3.58 2.88 -1.26 -2.09 113.62 123.25 1ap4 n SER 37 Ca 0.11 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1ap4 n SER 37 Cb 0.47 -1.38 0.31 0.00 -0.75 0.00 0.00 64.21 62.87 1ap4 n SER 37 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1ap4 h THR 38 N -1.69 1.22 -0.98 2.46 1.35 -1.93 -2.43 112.91 110.91 1ap4 h THR 38 Ca -0.43 -1.01 0.15 0.00 -0.55 0.00 0.00 66.41 64.57 1ap4 h THR 38 Cb 1.28 1.29 -0.09 0.00 -1.73 0.00 0.00 68.15 68.90 1ap4 h THR 38 CO 0.39 0.31 0.60 0.11 -0.25 0.00 0.00 175.52 176.68 1ap4 h LYS 39 N 0.29 0.84 0.00 4.72 6.56 -1.94 -0.15 116.57 126.89 1ap4 h LYS 39 Ca 0.05 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1ap4 h LYS 39 Cb 0.50 -0.19 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1ap4 h LYS 39 CO 0.03 0.55 -0.67 0.93 -2.06 0.00 0.00 179.45 178.23 1ap4 h GLU 40 N 0.86 0.00 -0.99 3.15 5.08 -1.84 -3.36 114.58 117.48 1ap4 h GLU 40 Ca 0.52 0.00 0.36 0.00 -1.00 0.00 0.00 59.36 59.25 1ap4 h GLU 40 Cb 0.66 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.75 1ap4 h GLU 40 CO -0.32 0.00 0.51 1.25 -1.00 0.00 0.00 179.01 179.45 1ap4 h LEU 41 N 0.00 0.34 0.00 1.33 7.12 -0.54 0.30 115.31 123.86 1ap4 h LEU 41 Ca 0.00 0.23 0.00 0.00 0.13 0.00 0.00 57.88 58.24 1ap4 h LEU 41 Cb 0.97 0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 1ap4 h LEU 41 CO 0.00 -0.30 0.00 0.61 -0.13 0.00 0.00 178.44 178.62 1ap4 n GLY 42 N -1.29 -2.55 0.46 3.75 0.00 -1.25 -0.99 105.19 103.32 1ap4 n GLY 42 Ca 0.34 0.03 0.28 0.00 0.00 0.00 0.00 46.02 46.67 1ap4 n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ap4 h LYS 43 N 0.00 0.13 -0.49 1.61 1.57 -1.57 0.20 116.57 118.02 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 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1ap4 h LYS 43 CO 0.00 0.09 0.24 0.28 -0.57 0.00 0.00 179.45 179.48 1ap4 h VAL 44 N 0.14 1.19 0.00 0.50 2.07 -0.04 -2.39 116.25 117.72 1ap4 h VAL 44 Ca 0.51 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 1ap4 h VAL 44 Cb 1.76 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1ap4 h VAL 44 CO -0.09 0.21 -0.40 0.24 0.02 0.00 0.00 177.57 177.55 1ap4 h MET 45 N 0.65 0.00 -0.69 1.57 2.86 0.12 -2.80 114.93 116.64 1ap4 h MET 45 Ca 0.17 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.75 1ap4 h MET 45 Cb 0.12 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1ap4 h MET 45 CO -0.02 0.40 0.20 0.00 1.06 0.00 0.00 176.91 178.56 1ap4 h ARG 46 N 0.00 1.06 -0.07 1.72 3.08 -0.87 -0.62 114.38 118.68 1ap4 h ARG 46 Ca -0.00 -0.22 -0.19 0.00 0.07 0.00 0.00 59.98 59.63 1ap4 h ARG 46 Cb 0.82 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.73 1ap4 h ARG 46 CO 0.05 0.91 -0.71 0.52 -1.07 0.00 0.00 179.97 179.67 1ap4 h MET 47 N 1.02 0.60 0.24 0.04 2.86 -1.36 -3.36 114.93 114.97 1ap4 h MET 47 Ca 0.22 -0.56 -0.01 0.00 -2.06 0.00 0.00 59.70 57.29 1ap4 h MET 47 Cb 0.30 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1ap4 h MET 47 CO -0.01 1.18 -0.12 -0.07 1.06 0.00 0.00 176.91 178.95 1ap4 h LEU 48 N 0.22 -0.28 0.00 1.22 3.38 -1.35 -3.47 115.31 115.03 1ap4 h LEU 48 Ca -0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ap4 h LEU 48 Cb 1.37 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1ap4 h LEU 48 CO 0.14 -0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.09 1ap4 n GLY 49 N -1.09 0.00 3.53 0.83 0.00 -0.70 -5.11 105.19 102.65 1ap4 n GLY 49 Ca -0.04 0.00 -0.25 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 1.89 -0.38 1.61 1.11 -0.32 -5.04 119.66 118.52 1ap4 s GLN 50 Ca 0.00 -2.13 0.12 0.00 0.01 0.00 0.00 55.36 53.36 1ap4 s GLN 50 Cb 0.00 -0.81 0.37 0.00 -1.01 0.00 0.00 33.01 31.55 1ap4 s GLN 50 CO 0.00 -0.38 0.87 -1.71 0.01 0.00 0.00 175.29 174.08 1ap4 n ASN 51 N -1.13 0.24 -4.77 5.90 5.15 -1.26 -4.28 115.26 115.11 1ap4 n ASN 51 Ca -0.07 -3.06 -0.39 0.00 -0.60 0.00 0.00 54.58 50.47 1ap4 n ASN 51 Cb 0.66 -0.08 -0.03 0.00 -0.53 0.00 0.00 39.78 39.80 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 -1.94 4.31 1.04 1.20 0.04 -1.26 -5.03 135.00 133.35 1ap4 s PRO 52 Ca 0.34 1.78 -0.15 0.00 0.04 0.00 0.00 61.00 63.01 1ap4 s PRO 52 Cb 0.36 -2.86 0.21 0.00 0.04 0.00 0.00 34.50 32.25 1ap4 s PRO 52 CO -0.06 -0.08 1.14 0.95 0.04 0.00 0.00 177.00 179.00 1ap4 s THR 53 N -1.36 1.87 0.23 1.26 -4.23 -1.26 -4.87 115.64 107.28 1ap4 s THR 53 Ca 0.52 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 61.20 1ap4 s THR 53 Cb -0.30 -2.63 0.10 0.00 1.34 0.00 0.00 72.50 71.01 1ap4 s THR 53 CO 0.38 0.00 1.73 1.55 -0.54 0.00 0.00 174.62 177.74 1ap4 h PRO 54 N -1.97 0.00 0.00 3.99 0.13 -2.02 -2.64 132.00 129.49 1ap4 h PRO 54 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ap4 h PRO 54 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ap4 h PRO 54 CO 0.49 0.42 -0.21 1.49 -0.23 0.00 0.00 178.00 179.96 1ap4 h GLU 55 N 0.00 0.00 0.00 0.86 4.57 -2.03 -3.24 114.58 114.74 1ap4 h GLU 55 Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 1ap4 h GLU 55 Cb 0.89 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.46 1ap4 h GLU 55 CO 0.05 0.00 -1.05 0.93 -1.18 0.00 0.00 179.01 177.76 1ap4 h GLU 56 N 0.00 0.00 -0.64 1.92 5.08 -1.83 -3.22 114.58 115.89 1ap4 h GLU 56 Ca 0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1ap4 h GLU 56 Cb 0.88 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.04 1ap4 h GLU 56 CO 0.00 0.47 -0.49 -0.07 -1.00 0.00 0.00 179.01 177.92 1ap4 h LEU 57 N 0.00 -1.74 0.00 1.33 4.07 -1.52 0.51 115.31 117.95 1ap4 h LEU 57 Ca -0.09 0.25 -0.17 0.00 0.08 0.00 0.00 57.88 57.94 1ap4 h LEU 57 Cb 1.56 0.75 -0.02 0.00 1.08 0.00 0.00 40.66 44.03 1ap4 h LEU 57 CO 0.07 -0.26 -0.83 -0.61 -1.08 0.00 0.00 178.44 175.72 1ap4 h GLN 58 N -0.14 0.00 0.69 1.13 5.75 -1.79 -2.93 115.11 117.82 1ap4 h GLN 58 Ca 0.11 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 1ap4 h GLN 58 Cb 0.42 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.97 1ap4 h GLN 58 CO -0.68 0.82 -0.33 0.93 -2.65 0.00 0.00 178.83 176.92 1ap4 h GLU 59 N 0.00 -0.89 0.00 1.69 4.39 -1.23 2.04 114.58 120.58 1ap4 h GLU 59 Ca -0.01 0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1ap4 h GLU 59 Cb 1.64 0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 30.49 1ap4 h GLU 59 CO 0.11 -0.57 -0.05 0.52 -1.16 0.00 0.00 179.01 177.86 1ap4 h MET 60 N -1.15 0.00 0.05 2.33 2.86 -0.18 -2.27 114.93 116.56 1ap4 h MET 60 Ca -0.09 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.27 1ap4 h MET 60 Cb 0.74 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1ap4 h MET 60 CO 0.16 0.05 -1.46 0.82 1.06 0.00 0.00 176.91 177.53 1ap4 h ILE 61 N 0.00 0.86 0.00 -1.22 5.03 -1.30 -2.96 117.51 117.92 1ap4 h ILE 61 Ca -0.00 -2.25 0.00 0.00 -0.12 0.00 0.00 64.86 62.48 1ap4 h ILE 61 Cb 0.27 2.38 0.00 0.00 -3.03 0.00 0.00 36.82 36.45 1ap4 h ILE 61 CO 0.01 0.53 0.00 -0.78 -0.68 0.00 0.00 178.15 177.23 1ap4 h ASP 62 N -0.61 0.00 0.08 1.72 3.58 0.34 -0.06 116.42 121.47 1ap4 h ASP 62 Ca -0.36 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 56.76 1ap4 h ASP 62 Cb 1.56 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.59 1ap4 h ASP 62 CO -0.09 0.00 -1.81 -0.62 -2.88 0.00 0.00 179.24 173.84 1ap4 n GLU 63 N -3.04 0.69 0.21 0.28 -0.58 -0.87 -4.07 120.64 113.27 1ap4 n GLU 63 Ca -0.02 0.36 0.15 0.00 -0.42 0.00 0.00 57.16 57.22 1ap4 n GLU 63 Cb 0.11 -1.71 0.52 0.00 -0.57 0.00 0.00 31.44 29.79 1ap4 n GLU 63 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1ap4 h VAL 64 N -0.30 0.00 -2.62 2.62 3.04 -1.30 -3.45 116.25 114.24 1ap4 h VAL 64 Ca -0.42 -0.51 -0.60 0.00 -1.01 0.00 0.00 66.70 64.17 1ap4 h VAL 64 Cb 1.79 1.43 0.12 0.00 -2.01 0.00 0.00 31.29 32.62 1ap4 h VAL 64 CO -0.03 0.00 0.12 -0.67 -1.01 0.00 0.00 177.57 175.98 1ap4 n ASP 65 N -2.76 1.22 -0.04 3.17 -0.08 -0.07 -4.85 116.55 113.15 1ap4 n ASP 65 Ca 0.02 1.14 0.02 0.00 -1.51 0.00 0.00 54.79 54.45 1ap4 n ASP 65 Cb 0.33 -1.30 -0.13 0.00 2.34 0.00 0.00 41.12 42.37 1ap4 n ASP 65 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1ap4 n GLU 66 N 0.59 0.91 -0.07 -0.67 2.13 -1.26 -4.49 120.64 117.78 1ap4 n GLU 66 Ca 0.09 -0.09 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1ap4 n GLU 66 Cb 0.34 -1.40 0.06 0.00 0.27 0.00 0.00 31.44 30.71 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1ap4 n ASP 67 N -2.29 2.34 -3.89 4.31 5.68 -1.26 -4.97 116.55 116.46 1ap4 n ASP 67 Ca -0.12 -2.16 -0.31 0.00 -0.50 0.00 0.00 54.79 51.69 1ap4 n ASP 67 Cb 0.68 -0.12 -0.01 0.00 -1.14 0.00 0.00 41.12 40.52 1ap4 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ap4 n GLY 68 N -0.37 -0.47 0.11 6.12 0.00 -1.26 -4.83 105.19 104.49 1ap4 n GLY 68 Ca 0.05 0.13 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.44 0.46 0.00 1.61 4.64 -1.95 -3.48 113.55 113.39 1ap4 h SER 69 Ca -0.53 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 60.24 1ap4 h SER 69 Cb 1.35 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ap4 h SER 69 CO 0.68 1.44 0.00 0.61 -0.87 0.00 0.00 176.83 178.69 1ap4 n GLY 70 N 1.61 1.10 3.29 -0.77 0.00 -1.26 -5.08 105.19 104.08 1ap4 n GLY 70 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.07 1.95 -0.36 2.61 -4.23 -1.26 -4.21 115.64 108.07 1ap4 s THR 71 Ca 0.00 -1.13 -0.14 0.00 -1.18 0.00 0.00 61.69 59.23 1ap4 s THR 71 Cb 0.00 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 72.20 1ap4 s THR 71 CO 0.00 0.47 0.30 -0.69 -0.54 0.00 0.00 174.62 174.17 1ap4 s VAL 72 N -0.64 5.23 0.00 2.29 1.01 -0.89 -4.89 120.40 122.51 1ap4 s VAL 72 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1ap4 s VAL 72 Cb -0.09 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1ap4 s VAL 72 CO -0.00 -0.12 0.00 -0.67 0.00 0.00 0.00 175.10 174.31 1ap4 n ASP 73 N 5.24 0.00 0.02 3.32 -0.08 -1.26 -0.18 116.55 123.61 1ap4 n ASP 73 Ca -0.11 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1ap4 n ASP 73 Cb 0.49 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.95 1ap4 n ASP 73 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1ap4 n PHE 74 N 0.00 0.00 -0.19 -0.67 7.35 -1.26 -4.06 117.46 118.63 1ap4 n PHE 74 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1ap4 n PHE 74 Cb 0.00 -0.00 0.10 0.00 0.35 0.00 0.00 39.48 39.93 1ap4 n PHE 74 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1ap4 h ASP 75 N -0.01 0.02 0.11 -2.13 1.82 -2.01 -1.96 116.42 112.27 1ap4 h ASP 75 Ca -0.00 0.10 -0.21 0.00 -0.39 0.00 0.00 57.03 56.53 1ap4 h ASP 75 Cb 0.66 0.14 0.01 0.00 0.68 0.00 0.00 39.33 40.82 1ap4 h ASP 75 CO -0.00 0.02 -1.02 -0.33 -1.61 0.00 0.00 179.24 176.30 1ap4 h GLU 76 N 0.27 0.24 -1.26 0.28 5.08 -1.88 -3.31 114.58 113.99 1ap4 h GLU 76 Ca 0.30 -0.40 0.37 0.00 -1.00 0.00 0.00 59.36 58.63 1ap4 h GLU 76 Cb 0.44 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 1ap4 h GLU 76 CO -0.38 1.19 0.85 0.35 -1.00 0.00 0.00 179.01 180.03 1ap4 h PHE 77 N -0.43 0.35 -0.15 4.33 3.57 -1.65 0.31 116.94 123.28 1ap4 h PHE 77 Ca -0.21 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.13 1ap4 h PHE 77 Cb 1.62 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 40.27 1ap4 h PHE 77 CO 0.17 -0.04 -0.58 -0.07 -2.23 0.00 0.00 178.31 175.56 1ap4 h LEU 78 N 0.15 0.76 -2.51 0.59 3.38 -1.46 -3.04 115.31 113.18 1ap4 h LEU 78 Ca 0.68 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ap4 h LEU 78 Cb 2.27 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.80 1ap4 h LEU 78 CO -0.21 1.25 -0.00 0.58 0.09 0.00 0.00 178.44 180.15 1ap4 h VAL 79 N 0.32 0.48 -0.07 1.22 2.07 -0.48 -2.23 116.25 117.55 1ap4 h VAL 79 Ca -0.03 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 1ap4 h VAL 79 Cb 1.21 1.01 0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1ap4 h VAL 79 CO 0.12 0.00 -0.37 -0.03 0.02 0.00 0.00 177.57 177.31 1ap4 h MET 80 N 0.00 0.37 0.32 1.57 4.05 -1.33 -2.93 114.93 116.98 1ap4 h MET 80 Ca -0.00 -0.31 -0.02 0.00 -0.28 0.00 0.00 59.70 59.10 1ap4 h MET 80 Cb 0.01 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1ap4 h MET 80 CO 0.00 0.95 -0.15 0.52 0.23 0.00 0.00 176.91 178.46 1ap4 h MET 81 N -0.12 -0.41 -0.99 0.39 2.07 -1.40 -2.80 114.93 111.67 1ap4 h MET 81 Ca -0.03 0.03 0.24 0.00 -2.07 0.00 0.00 59.70 57.87 1ap4 h MET 81 Cb 1.03 0.09 -0.08 0.00 -1.87 0.00 0.00 31.60 30.77 1ap4 h MET 81 CO 0.08 -0.15 0.65 -0.24 1.07 0.00 0.00 176.91 178.32 1ap4 h VAL 82 N -0.63 0.59 0.85 -2.22 3.04 -1.54 -2.01 116.25 114.32 1ap4 h VAL 82 Ca -0.04 -0.14 -0.04 0.00 -1.01 0.00 0.00 66.70 65.46 1ap4 h VAL 82 Cb 0.45 0.14 0.01 0.00 -2.01 0.00 0.00 31.29 29.88 1ap4 h VAL 82 CO 0.07 0.08 -0.41 0.03 -1.01 0.00 0.00 177.57 176.33 1ap4 h ARG 83 N 0.42 -1.10 -0.91 4.17 3.08 -1.30 -3.06 114.38 115.69 1ap4 h ARG 83 Ca 0.55 0.07 0.17 0.00 0.07 0.00 0.00 59.98 60.84 1ap4 h ARG 83 Cb 1.36 0.25 -0.17 0.00 0.08 0.00 0.00 29.97 31.50 1ap4 h ARG 83 CO -0.25 -0.72 -0.26 0.00 -1.07 0.00 0.00 179.97 177.66 1ap4 n MET 85 N -5.55 3.61 -4.26 0.00 0.00 -1.14 -5.04 117.12 104.74 1ap4 n MET 85 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.55 1ap4 n MET 85 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.57 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 0.00 2.09 0.06 3.17 1.02 -1.25 -5.04 119.74 119.79 1ap4 s LYS 86 Ca 0.00 -1.15 -0.22 0.00 0.02 0.00 0.00 55.97 54.62 1ap4 s LYS 86 Cb 0.00 -2.23 -0.09 0.00 -0.52 0.00 0.00 37.83 34.99 1ap4 s LYS 86 CO 0.00 0.47 1.35 -0.44 -0.92 0.00 0.00 175.35 175.81 1ap4 h ASP 87 N 3.24 -1.00 -2.09 2.83 5.19 -1.88 -3.38 116.42 119.33 1ap4 h ASP 87 Ca -0.48 0.10 -0.55 0.00 -0.62 0.00 0.00 57.03 55.49 1ap4 h ASP 87 Cb 1.19 0.36 -0.37 0.00 0.18 0.00 0.00 39.33 40.70 1ap4 h ASP 87 CO 0.53 -0.36 -0.99 -0.67 -3.12 0.00 0.00 179.24 174.63 1ap4 n ASP 88 N -4.35 -0.48 -0.77 6.45 2.03 -1.26 -4.76 116.55 113.41 1ap4 n ASP 88 Ca -0.06 -2.54 0.10 0.00 0.52 0.00 0.00 54.79 52.81 1ap4 n ASP 88 Cb 0.26 -0.40 0.08 0.00 -0.72 0.00 0.00 41.12 40.35 1ap4 n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04