#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 0.32 -1.74 7.83 1.11 -1.26 -4.81 116.67 118.12 1ap4 s ASP 2 Ca 0.00 -0.77 0.00 0.00 0.18 0.00 0.00 52.55 51.96 1ap4 s ASP 2 Cb 0.00 0.22 0.00 0.00 1.07 0.00 0.00 42.92 44.21 1ap4 s ASP 2 CO 0.00 -0.56 0.00 0.47 1.18 0.00 0.00 175.17 176.26 1ap4 n ASP 3 N 0.43 -4.35 0.02 0.27 9.92 -1.26 -4.78 116.55 116.80 1ap4 n ASP 3 Ca -0.17 0.40 0.14 0.00 -0.53 0.00 0.00 54.79 54.63 1ap4 n ASP 3 Cb 0.60 -3.94 0.58 0.00 -0.64 0.00 0.00 41.12 37.72 1ap4 n ASP 3 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1ap4 n ILE 4 N -2.13 0.10 0.04 0.53 -5.35 -1.26 -3.70 119.36 107.58 1ap4 n ILE 4 Ca -0.17 -0.05 -0.21 0.00 -0.27 0.00 0.00 62.75 62.06 1ap4 n ILE 4 Cb 0.54 -0.50 -0.14 0.00 -1.74 0.00 0.00 39.64 37.80 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 0.53 -0.33 4.28 0.05 -1.99 -3.13 116.97 116.39 1ap4 h TYR 5 Ca 0.00 -0.39 0.10 0.00 0.05 0.00 0.00 58.73 58.49 1ap4 h TYR 5 Cb 0.54 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 1ap4 h TYR 5 CO 0.00 1.45 0.63 1.57 -1.05 0.00 0.00 178.16 180.76 1ap4 h LYS 6 N -0.30 0.00 0.08 4.88 2.10 -1.97 0.35 116.57 121.72 1ap4 h LYS 6 Ca -0.23 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.08 1ap4 h LYS 6 Cb 1.74 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.05 1ap4 h LYS 6 CO 0.12 0.00 -1.91 0.00 -2.00 0.00 0.00 179.45 175.65 1ap4 n ALA 7 N -2.06 1.09 -0.08 0.07 0.00 -1.23 -3.74 120.51 114.56 1ap4 n ALA 7 Ca 0.06 -0.65 -0.01 0.00 0.00 0.00 0.00 53.44 52.84 1ap4 n ALA 7 Cb 0.76 -0.73 0.26 0.00 0.00 0.00 0.00 19.45 19.74 1ap4 n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ap4 h ALA 8 N 0.38 1.35 -0.52 0.00 0.00 -0.28 -1.85 119.26 118.34 1ap4 h ALA 8 Ca -0.38 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 1ap4 h ALA 8 Cb 2.03 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 1ap4 h ALA 8 CO 0.08 0.47 -0.11 0.28 0.00 0.00 0.00 179.25 179.97 1ap4 h VAL 9 N 0.69 1.27 0.00 0.00 2.07 -1.44 -2.56 116.25 116.28 1ap4 h VAL 9 Ca 0.16 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.40 1ap4 h VAL 9 Cb 0.22 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1ap4 h VAL 9 CO -0.01 0.44 -0.10 -0.33 0.02 0.00 0.00 177.57 177.60 1ap4 h GLU 10 N 0.87 0.00 0.00 1.57 5.08 -1.54 -2.78 114.58 117.78 1ap4 h GLU 10 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1ap4 h GLU 10 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1ap4 h GLU 10 CO 0.05 0.10 0.00 1.96 -1.00 0.00 0.00 179.01 180.11 1ap4 h GLN 11 N 0.00 0.00 -6.43 2.33 7.50 -0.91 -3.41 115.11 114.20 1ap4 h GLN 11 Ca -0.00 0.00 -0.57 0.00 0.50 0.00 0.00 58.65 58.58 1ap4 h GLN 11 Cb 0.69 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 28.18 1ap4 h GLN 11 CO 0.01 0.00 1.08 -0.51 -1.50 0.00 0.00 178.83 177.91 1ap4 s LEU 12 N -5.56 3.68 0.46 1.46 1.43 -1.05 -4.96 118.68 114.14 1ap4 s LEU 12 Ca -0.01 1.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.95 1ap4 s LEU 12 Cb 0.10 -3.54 -0.12 0.00 0.03 0.00 0.00 46.19 42.67 1ap4 s LEU 12 CO 0.40 -1.36 0.55 0.35 0.23 0.00 0.00 176.35 176.52 1ap4 n THR 13 N 6.84 1.87 -0.36 5.49 -2.24 -1.26 -4.45 114.28 120.16 1ap4 n THR 13 Ca 0.17 -0.50 0.32 0.00 -2.27 0.00 0.00 64.05 61.77 1ap4 n THR 13 Cb 0.47 -0.60 0.66 0.00 -2.10 0.00 0.00 70.33 68.76 1ap4 n THR 13 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ap4 h GLU 14 N 0.70 0.15 0.00 -0.78 5.08 -1.92 1.38 114.58 119.19 1ap4 h GLU 14 Ca -0.42 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1ap4 h GLU 14 Cb 1.40 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 1ap4 h GLU 14 CO 0.51 0.10 -0.02 1.05 -1.00 0.00 0.00 179.01 179.65 1ap4 h GLU 15 N 0.15 0.00 0.00 2.33 4.11 -1.99 -2.48 114.58 116.69 1ap4 h GLU 15 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.06 1ap4 h GLU 15 Cb 2.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.39 1ap4 h GLU 15 CO -0.17 0.02 -0.08 0.37 0.07 0.00 0.00 179.01 179.22 1ap4 h GLN 16 N 0.00 0.00 -0.59 1.06 4.15 0.16 -3.29 115.11 116.60 1ap4 h GLN 16 Ca -0.00 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.59 1ap4 h GLN 16 Cb 0.52 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 1ap4 h GLN 16 CO 0.00 0.00 0.44 1.57 -1.93 0.00 0.00 178.83 178.91 1ap4 h LYS 17 N -0.56 0.00 0.00 1.69 2.10 -1.61 0.21 116.57 118.41 1ap4 h LYS 17 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1ap4 h LYS 17 Cb 0.08 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.40 1ap4 h LYS 17 CO 0.00 0.00 -0.16 -0.91 -2.00 0.00 0.00 179.45 176.38 1ap4 h ASN 18 N 0.00 0.00 0.01 7.07 2.35 -1.58 -2.16 115.58 121.27 1ap4 h ASN 18 Ca 0.28 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 1ap4 h ASN 18 Cb 1.15 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.53 1ap4 h ASN 18 CO -0.00 0.16 -0.34 -0.08 -1.65 0.00 0.00 177.43 175.52 1ap4 h GLU 19 N 0.00 0.22 0.00 0.81 4.57 -0.64 -3.24 114.58 116.30 1ap4 h GLU 19 Ca -0.00 -0.24 -0.05 0.00 -1.18 0.00 0.00 59.36 57.89 1ap4 h GLU 19 Cb 0.47 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 1ap4 h GLU 19 CO 0.02 0.97 -0.22 0.74 -1.18 0.00 0.00 179.01 179.35 1ap4 h PHE 20 N -0.44 0.00 -0.32 0.92 -1.00 -1.50 -3.07 116.94 111.53 1ap4 h PHE 20 Ca -0.04 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.77 1ap4 h PHE 20 Cb 1.10 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.62 1ap4 h PHE 20 CO 0.18 0.22 0.10 -0.22 -1.61 0.00 0.00 178.31 176.98 1ap4 h LYS 21 N 0.00 0.23 -1.00 1.51 3.64 -1.41 -1.46 116.57 118.07 1ap4 h LYS 21 Ca -0.00 -0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.54 1ap4 h LYS 21 Cb 0.57 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.24 1ap4 h LYS 21 CO 0.03 0.15 0.62 0.00 -2.27 0.00 0.00 179.45 177.98 1ap4 h ALA 22 N 1.21 1.65 -0.17 5.00 0.00 -1.63 -1.17 119.26 124.16 1ap4 h ALA 22 Ca 0.15 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1ap4 h ALA 22 Cb 0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ap4 h ALA 22 CO -0.16 -0.01 -0.25 0.00 0.00 0.00 0.00 179.25 178.84 1ap4 h ALA 23 N 1.63 0.27 -0.96 0.00 0.00 -1.48 -3.11 119.26 115.60 1ap4 h ALA 23 Ca 0.56 -0.38 0.25 0.00 0.00 0.00 0.00 54.91 55.34 1ap4 h ALA 23 Cb 0.83 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.44 1ap4 h ALA 23 CO -0.36 0.25 0.49 0.35 0.00 0.00 0.00 179.25 179.98 1ap4 h PHE 24 N 0.12 0.82 0.00 0.00 3.04 -0.22 1.52 116.94 122.22 1ap4 h PHE 24 Ca 0.02 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1ap4 h PHE 24 Cb 0.82 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.12 1ap4 h PHE 24 CO 0.09 -0.04 0.00 -0.25 -2.02 0.00 0.00 178.31 176.08 1ap4 n ASP 25 N -5.00 0.17 0.11 0.41 8.00 -1.02 -2.93 116.55 116.29 1ap4 n ASP 25 Ca 0.26 0.54 -0.21 0.00 0.71 0.00 0.00 54.79 56.09 1ap4 n ASP 25 Cb 0.76 -0.57 -0.13 0.00 -0.02 0.00 0.00 41.12 41.15 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 1.34 0.00 0.53 1.08 0.21 -2.89 117.51 117.78 1ap4 h ILE 26 Ca 0.00 -2.66 -0.10 0.00 -0.39 0.00 0.00 64.86 61.71 1ap4 h ILE 26 Cb 0.31 2.83 -0.01 0.00 -3.07 0.00 0.00 36.82 36.88 1ap4 h ILE 26 CO 0.00 0.80 -0.48 -0.26 -0.69 0.00 0.00 178.15 177.52 1ap4 h PHE 27 N 0.19 0.00 -0.58 1.37 0.04 -1.44 -3.07 116.94 113.45 1ap4 h PHE 27 Ca -0.19 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.58 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 0.10 0.48 0.00 1.33 -0.60 0.00 0.00 178.31 179.62 1ap4 n VAL 28 N -3.37 1.33 -0.19 -0.55 0.24 -1.20 -4.44 118.33 110.14 1ap4 n VAL 28 Ca 0.01 -0.95 0.26 0.00 -2.04 0.00 0.00 64.34 61.61 1ap4 n VAL 28 Cb 0.65 0.18 0.66 0.00 -1.47 0.00 0.00 33.84 33.86 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 3.58 0.12 -1.30 1.34 3.38 -1.40 -1.78 115.31 119.24 1ap4 h LEU 29 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ap4 h LEU 29 Cb 1.14 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1ap4 h LEU 29 CO 0.14 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.32 1ap4 n GLY 30 N -1.65 -0.23 3.38 0.83 0.00 -1.26 -5.06 105.19 101.19 1ap4 n GLY 30 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.11 -3.55 -0.03 4.61 0.00 -0.67 -4.96 120.51 115.81 1ap4 n ALA 31 Ca 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 53.44 52.18 1ap4 n ALA 31 Cb 0.12 -1.79 -0.12 0.00 0.00 0.00 0.00 19.45 17.65 1ap4 n ALA 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ap4 n GLU 32 N -4.00 0.81 -0.03 0.00 -0.00 -1.26 -4.48 120.64 111.67 1ap4 n GLU 32 Ca 0.02 -0.10 0.04 0.00 -0.00 0.00 0.00 57.16 57.12 1ap4 n GLU 32 Cb 0.57 -1.37 0.05 0.00 -0.00 0.00 0.00 31.44 30.69 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1ap4 n ASP 33 N -2.19 1.94 -1.23 -1.84 5.68 -1.26 -4.97 116.55 112.68 1ap4 n ASP 33 Ca -0.09 -1.50 -0.08 0.00 -0.50 0.00 0.00 54.79 52.62 1ap4 n ASP 33 Cb 0.57 -0.04 0.01 0.00 -1.14 0.00 0.00 41.12 40.52 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 0.44 0.21 3.38 6.12 0.00 -1.26 -5.04 105.19 109.04 1ap4 n GLY 34 Ca 0.06 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.98 5.02 0.50 0.00 1.01 -0.55 -4.43 121.20 119.76 1ap4 s ILE 36 Ca 0.25 0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.76 1ap4 s ILE 36 Cb 0.01 -4.01 -0.06 0.00 0.01 0.00 0.00 42.46 38.40 1ap4 s ILE 36 CO 0.09 -0.33 1.19 -0.94 0.00 0.00 0.00 174.94 174.95 1ap4 s SER 37 N 1.82 5.88 0.45 3.58 1.04 -1.26 0.19 113.70 125.39 1ap4 s SER 37 Ca 0.17 2.35 0.22 0.00 0.48 0.00 0.00 55.95 59.17 1ap4 s SER 37 Cb -0.16 -2.60 1.06 0.00 0.10 0.00 0.00 66.02 64.42 1ap4 s SER 37 CO 0.14 -1.12 1.91 0.00 0.98 0.00 0.00 173.24 175.16 1ap4 h THR 38 N 1.61 0.77 -0.04 2.02 1.03 -1.90 -1.60 112.91 114.79 1ap4 h THR 38 Ca -0.50 -0.97 -0.03 0.00 -0.01 0.00 0.00 66.41 64.90 1ap4 h THR 38 Cb 1.26 1.60 -0.01 0.00 -1.07 0.00 0.00 68.15 69.93 1ap4 h THR 38 CO 0.59 0.23 -0.13 0.50 -0.01 0.00 0.00 175.52 176.70 1ap4 h LYS 39 N 0.00 0.06 0.00 0.00 3.64 -1.91 -2.65 116.57 115.71 1ap4 h LYS 39 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ap4 h LYS 39 Cb 0.58 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1ap4 h LYS 39 CO 0.03 0.19 -1.82 -1.91 -2.27 0.00 0.00 179.45 173.67 1ap4 n GLU 40 N -4.36 0.58 -0.29 1.90 2.13 -0.97 -4.38 120.64 115.25 1ap4 n GLU 40 Ca -0.02 -0.16 0.11 0.00 0.66 0.00 0.00 57.16 57.75 1ap4 n GLU 40 Cb 0.22 -1.53 0.26 0.00 0.27 0.00 0.00 31.44 30.65 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1ap4 h LEU 41 N 0.00 0.04 -0.73 4.31 6.46 -0.92 0.24 115.31 124.70 1ap4 h LEU 41 Ca 0.00 0.18 0.15 0.00 -0.12 0.00 0.00 57.88 58.09 1ap4 h LEU 41 Cb 0.94 0.23 -0.14 0.00 -0.73 0.00 0.00 40.66 40.97 1ap4 h LEU 41 CO 0.00 -0.10 -0.13 1.23 -0.62 0.00 0.00 178.44 178.82 1ap4 h GLY 42 N 0.25 0.62 2.00 3.75 0.00 -1.76 1.50 103.07 109.42 1ap4 h GLY 42 Ca 0.51 0.20 -0.04 0.00 0.00 0.00 0.00 47.33 48.00 1ap4 h GLY 42 CO -0.60 -0.28 -0.20 0.50 0.00 0.00 0.00 176.54 175.96 1ap4 h LYS 43 N 0.03 0.00 0.01 4.80 1.57 -0.86 -2.87 116.57 119.25 1ap4 h LYS 43 Ca 0.37 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.90 1ap4 h LYS 43 Cb 0.59 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.91 1ap4 h LYS 43 CO -0.72 0.20 -1.01 0.28 -0.57 0.00 0.00 179.45 177.63 1ap4 h VAL 44 N 0.00 1.35 0.00 0.50 2.07 0.29 -3.07 116.25 117.39 1ap4 h VAL 44 Ca -0.00 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.11 1ap4 h VAL 44 Cb 0.69 2.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1ap4 h VAL 44 CO 0.03 0.73 0.00 0.23 0.02 0.00 0.00 177.57 178.57 1ap4 n MET 45 N -3.78 0.01 0.09 1.57 2.81 0.18 -2.22 117.12 115.78 1ap4 n MET 45 Ca -0.09 0.11 -0.23 0.00 -1.81 0.00 0.00 57.70 55.68 1ap4 n MET 45 Cb 0.87 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.73 1ap4 n MET 45 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ap4 h ARG 46 N 0.00 0.42 0.19 0.03 3.08 -1.41 0.14 114.38 116.83 1ap4 h ARG 46 Ca 0.00 -0.73 -0.31 0.00 0.07 0.00 0.00 59.98 59.01 1ap4 h ARG 46 Cb 0.39 0.27 0.02 0.00 0.08 0.00 0.00 29.97 30.73 1ap4 h ARG 46 CO 0.00 1.35 -1.50 0.00 -1.07 0.00 0.00 179.97 178.75 1ap4 h MET 47 N -0.00 0.40 -1.01 0.04 -0.00 -1.56 -3.32 114.93 109.47 1ap4 h MET 47 Ca -0.27 -0.68 0.24 0.00 -0.00 0.00 0.00 59.70 58.99 1ap4 h MET 47 Cb 2.02 0.25 -0.09 0.00 -0.00 0.00 0.00 31.60 33.78 1ap4 h MET 47 CO 0.20 1.33 0.65 -0.07 -0.00 0.00 0.00 176.91 179.01 1ap4 h LEU 48 N -0.02 0.48 0.00 -0.10 3.38 -1.62 -3.44 115.31 113.99 1ap4 h LEU 48 Ca -0.29 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1ap4 h LEU 48 Cb 2.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1ap4 h LEU 48 CO 0.18 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.44 1ap4 n GLY 49 N -1.47 0.95 3.36 0.83 0.00 -1.24 -5.11 105.19 102.51 1ap4 n GLY 49 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 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 1.71 -0.40 1.61 1.11 0.49 -5.04 119.66 119.14 1ap4 s GLN 50 Ca 0.00 -2.00 0.09 0.00 0.01 0.00 0.00 55.36 53.46 1ap4 s GLN 50 Cb 0.00 -0.07 0.32 0.00 -1.01 0.00 0.00 33.01 32.25 1ap4 s GLN 50 CO 0.00 -0.52 0.80 -1.71 0.01 0.00 0.00 175.29 173.87 1ap4 n ASN 51 N -1.20 -0.32 -4.81 5.90 5.15 -1.24 -3.68 115.26 115.06 1ap4 n ASN 51 Ca 0.01 -3.14 -0.30 0.00 -0.60 0.00 0.00 54.58 50.55 1ap4 n ASN 51 Cb 0.64 0.17 0.08 0.00 -0.53 0.00 0.00 39.78 40.13 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 -1.34 2.37 0.35 1.20 0.04 -1.26 -5.07 135.00 131.29 1ap4 s PRO 52 Ca 0.34 0.72 0.07 0.00 0.04 0.00 0.00 61.00 62.17 1ap4 s PRO 52 Cb 0.30 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.89 1ap4 s PRO 52 CO -0.09 -1.44 0.49 0.95 0.04 0.00 0.00 177.00 176.95 1ap4 s THR 53 N -3.13 3.90 0.24 1.26 -4.23 -1.26 -4.96 115.64 107.45 1ap4 s THR 53 Ca 0.60 -0.98 0.16 0.00 -1.18 0.00 0.00 61.69 60.29 1ap4 s THR 53 Cb -0.14 -3.35 0.08 0.00 1.34 0.00 0.00 72.50 70.44 1ap4 s THR 53 CO 0.54 -0.14 1.72 1.55 -0.54 0.00 0.00 174.62 177.76 1ap4 h PRO 54 N 0.83 0.00 -0.05 3.99 0.13 -1.99 -0.51 132.00 134.41 1ap4 h PRO 54 Ca -0.45 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.43 1ap4 h PRO 54 Cb 1.26 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.41 1ap4 h PRO 54 CO 0.52 0.44 -0.96 1.49 -0.23 0.00 0.00 178.00 179.26 1ap4 h GLU 55 N 0.00 0.71 0.06 0.86 4.81 -2.02 -3.28 114.58 115.73 1ap4 h GLU 55 Ca -0.00 -0.71 -0.21 0.00 -0.13 0.00 0.00 59.36 58.31 1ap4 h GLU 55 Cb 0.91 0.19 0.02 0.00 0.63 0.00 0.00 28.75 30.50 1ap4 h GLU 55 CO 0.06 1.29 -0.86 0.93 -0.73 0.00 0.00 179.01 179.70 1ap4 h GLU 56 N 0.43 0.48 -0.34 1.92 5.08 -1.95 -3.19 114.58 117.02 1ap4 h GLU 56 Ca -0.10 -0.60 0.03 0.00 -1.00 0.00 0.00 59.36 57.69 1ap4 h GLU 56 Cb 1.61 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 31.00 1ap4 h GLU 56 CO 0.19 1.23 -0.25 1.25 -1.00 0.00 0.00 179.01 180.43 1ap4 h LEU 57 N -0.00 -0.89 -0.02 1.33 5.85 -1.18 1.81 115.31 122.21 1ap4 h LEU 57 Ca -0.12 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1ap4 h LEU 57 Cb 1.58 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 42.94 1ap4 h LEU 57 CO 0.17 -0.13 -0.32 -0.61 -0.34 0.00 0.00 178.44 177.21 1ap4 h GLN 58 N -0.06 -0.45 -0.19 1.25 -0.00 -1.70 0.67 115.11 114.63 1ap4 h GLN 58 Ca 0.06 0.03 0.04 0.00 -0.00 0.00 0.00 58.65 58.77 1ap4 h GLN 58 Cb 0.21 0.10 -0.04 0.00 0.00 0.00 0.00 27.48 27.75 1ap4 h GLN 58 CO -0.35 -0.30 -0.05 1.49 0.00 0.00 0.00 178.83 179.62 1ap4 h GLU 59 N -0.46 -0.01 -0.55 1.69 4.81 -1.26 0.16 114.58 118.95 1ap4 h GLU 59 Ca 0.07 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1ap4 h GLU 59 Cb 0.56 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 1ap4 h GLU 59 CO -0.28 -0.01 0.25 1.98 -0.73 0.00 0.00 179.01 180.22 1ap4 h MET 60 N -0.01 0.47 -0.03 1.92 4.05 0.32 -0.64 114.93 121.01 1ap4 h MET 60 Ca 0.09 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1ap4 h MET 60 Cb 0.15 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.84 1ap4 h MET 60 CO -0.20 0.31 -0.00 0.82 0.23 0.00 0.00 176.91 178.07 1ap4 h ILE 61 N 0.48 1.28 -0.04 1.77 2.04 -0.34 -2.68 117.51 120.02 1ap4 h ILE 61 Ca 0.26 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.29 1ap4 h ILE 61 Cb 0.22 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1ap4 h ILE 61 CO -0.21 0.22 0.07 -0.78 0.00 0.00 0.00 178.15 177.45 1ap4 h ASP 62 N -0.28 0.00 1.70 1.72 1.82 -0.41 0.94 116.42 121.91 1ap4 h ASP 62 Ca 0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1ap4 h ASP 62 Cb 0.36 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.37 1ap4 h ASP 62 CO 0.00 0.00 -0.30 -0.33 -1.61 0.00 0.00 179.24 177.00 1ap4 h GLU 63 N 0.00 0.00 0.00 0.28 4.39 -0.80 -3.33 114.58 115.12 1ap4 h GLU 63 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1ap4 h GLU 63 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1ap4 h GLU 63 CO -0.00 0.01 -0.93 1.55 -1.16 0.00 0.00 179.01 178.48 1ap4 n VAL 64 N -2.98 0.00 -1.69 3.13 3.14 0.10 -4.99 118.33 115.04 1ap4 n VAL 64 Ca 0.03 -0.25 -0.52 0.00 -2.96 0.00 0.00 64.34 60.64 1ap4 n VAL 64 Cb 0.54 0.63 -0.06 0.00 -1.06 0.00 0.00 33.84 33.90 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 -1.52 3.00 -0.10 6.55 2.03 0.30 -4.81 116.55 122.01 1ap4 n ASP 65 Ca -0.00 1.02 0.15 0.00 0.52 0.00 0.00 54.79 56.47 1ap4 n ASP 65 Cb 0.18 -1.28 0.71 0.00 -0.72 0.00 0.00 41.12 40.02 1ap4 n ASP 65 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ap4 n GLU 66 N 6.07 0.82 0.00 -0.67 2.13 -1.26 -4.15 120.64 123.58 1ap4 n GLU 66 Ca 0.24 -0.21 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1ap4 n GLU 66 Cb 0.23 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.44 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 -0.90 1.99 0.00 4.31 5.68 -1.26 -5.04 116.55 121.33 1ap4 n ASP 67 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1ap4 n ASP 67 Cb 0.24 0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 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 1.94 0.97 0.15 6.12 0.00 -1.26 -4.97 105.19 108.15 1ap4 n GLY 68 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 0.40 0.00 1.61 4.64 -1.96 -3.47 113.55 114.76 1ap4 h SER 69 Ca 0.00 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1ap4 h SER 69 Cb 0.17 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1ap4 h SER 69 CO 0.00 1.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.62 1ap4 n GLY 70 N 0.71 2.32 3.90 -0.77 0.00 -1.26 -5.08 105.19 105.01 1ap4 n GLY 70 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.18 5.33 -0.42 2.61 -4.23 -1.26 -3.13 115.64 112.35 1ap4 s THR 71 Ca 0.00 -0.07 -0.15 0.00 -1.18 0.00 0.00 61.69 60.29 1ap4 s THR 71 Cb 0.00 -3.59 0.04 0.00 1.34 0.00 0.00 72.50 70.29 1ap4 s THR 71 CO 0.00 0.24 0.31 -0.69 -0.54 0.00 0.00 174.62 173.94 1ap4 s VAL 72 N -1.43 5.17 0.59 2.29 1.01 0.49 -4.85 120.40 123.67 1ap4 s VAL 72 Ca 0.32 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1ap4 s VAL 72 Cb -0.13 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.36 1ap4 s VAL 72 CO 0.21 -0.38 0.83 1.51 0.00 0.00 0.00 175.10 177.27 1ap4 s ASP 73 N 1.91 5.14 0.57 3.32 1.47 -1.26 -1.49 116.67 126.33 1ap4 s ASP 73 Ca 0.04 0.02 0.36 0.00 1.18 0.00 0.00 52.55 54.16 1ap4 s ASP 73 Cb -0.20 -0.84 1.43 0.00 -0.34 0.00 0.00 42.92 42.97 1ap4 s ASP 73 CO 0.09 -1.26 1.66 0.15 0.68 0.00 0.00 175.17 176.48 1ap4 h PHE 74 N -0.07 0.00 0.13 2.11 3.57 -1.97 0.83 116.94 121.54 1ap4 h PHE 74 Ca -0.42 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 1ap4 h PHE 74 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1ap4 h PHE 74 CO 0.32 0.00 -0.06 0.22 -2.23 0.00 0.00 178.31 176.56 1ap4 h ASP 75 N 0.00 -0.15 0.10 0.41 1.82 -2.01 -3.25 116.42 113.35 1ap4 h ASP 75 Ca 0.55 -0.40 -0.28 0.00 -0.39 0.00 0.00 57.03 56.52 1ap4 h ASP 75 Cb 2.51 0.04 0.03 0.00 0.68 0.00 0.00 39.33 42.59 1ap4 h ASP 75 CO -0.01 0.44 -1.14 -0.33 -1.61 0.00 0.00 179.24 176.59 1ap4 h GLU 76 N -0.86 0.59 -1.10 0.28 5.08 -1.33 -3.22 114.58 114.02 1ap4 h GLU 76 Ca -0.02 -0.77 0.31 0.00 -1.00 0.00 0.00 59.36 57.88 1ap4 h GLU 76 Cb 0.54 0.25 -0.11 0.00 0.50 0.00 0.00 28.75 29.93 1ap4 h GLU 76 CO 0.03 1.34 0.69 0.35 -1.00 0.00 0.00 179.01 180.42 1ap4 h PHE 77 N 0.20 0.71 0.17 4.33 3.57 0.43 -0.55 116.94 125.80 1ap4 h PHE 77 Ca -0.17 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 1ap4 h PHE 77 Cb 1.83 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 40.37 1ap4 h PHE 77 CO 0.12 -0.04 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.01 1ap4 h LEU 78 N 0.32 -0.20 -0.86 0.59 3.38 -1.60 -2.82 115.31 114.12 1ap4 h LEU 78 Ca 0.68 -0.26 0.21 0.00 0.09 0.00 0.00 57.88 58.60 1ap4 h LEU 78 Cb 1.77 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 42.44 1ap4 h LEU 78 CO -0.40 0.36 0.32 0.58 0.09 0.00 0.00 178.44 179.39 1ap4 h VAL 79 N -0.97 0.44 -0.70 1.22 2.07 -1.32 0.37 116.25 117.36 1ap4 h VAL 79 Ca -0.02 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1ap4 h VAL 79 Cb 0.45 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1ap4 h VAL 79 CO 0.04 0.06 0.38 -0.03 0.02 0.00 0.00 177.57 178.04 1ap4 h MET 80 N 0.33 0.99 0.54 1.57 4.05 -1.20 -0.39 114.93 120.82 1ap4 h MET 80 Ca 0.53 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 59.81 1ap4 h MET 80 Cb 1.01 -0.19 0.01 0.00 -0.80 0.00 0.00 31.60 31.63 1ap4 h MET 80 CO -0.55 0.75 -0.26 0.52 0.23 0.00 0.00 176.91 177.59 1ap4 h MET 81 N 0.97 -0.70 -0.87 0.39 2.07 -0.15 -2.87 114.93 113.77 1ap4 h MET 81 Ca 0.25 0.05 0.21 0.00 -2.07 0.00 0.00 59.70 58.14 1ap4 h MET 81 Cb 0.05 0.16 -0.06 0.00 -1.87 0.00 0.00 31.60 29.89 1ap4 h MET 81 CO -0.04 -0.40 0.59 -0.24 1.07 0.00 0.00 176.91 177.89 1ap4 h VAL 82 N -1.07 0.66 0.95 -2.22 3.04 -0.75 0.18 116.25 117.05 1ap4 h VAL 82 Ca -0.07 -0.10 -0.05 0.00 -1.01 0.00 0.00 66.70 65.47 1ap4 h VAL 82 Cb 0.62 0.34 0.01 0.00 -2.01 0.00 0.00 31.29 30.25 1ap4 h VAL 82 CO 0.12 0.05 -0.49 0.03 -1.01 0.00 0.00 177.57 176.27 1ap4 h ARG 83 N 0.29 -1.28 0.00 4.17 3.08 -0.91 -2.25 114.38 117.49 1ap4 h ARG 83 Ca 0.44 0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.58 1ap4 h ARG 83 Cb 1.27 0.29 0.00 0.00 0.08 0.00 0.00 29.97 31.61 1ap4 h ARG 83 CO -0.13 -0.85 0.00 0.00 -1.07 0.00 0.00 179.97 177.92 1ap4 n MET 85 N -2.23 0.85 0.00 0.00 2.81 0.58 -4.87 117.12 114.26 1ap4 n MET 85 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1ap4 n MET 85 Cb 0.23 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.74 1ap4 n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ap4 n LYS 86 N -0.11 0.00 -3.60 0.03 5.02 -1.26 -4.54 118.16 113.70 1ap4 n LYS 86 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1ap4 n LYS 86 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 1ap4 n LYS 86 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1ap4 s ASP 87 N -4.00 2.87 0.00 4.39 -4.77 -1.26 -4.88 116.67 109.02 1ap4 s ASP 87 Ca 0.00 -3.33 0.00 0.00 -3.30 0.00 0.00 52.55 45.92 1ap4 s ASP 87 Cb 0.00 -0.92 0.00 0.00 -1.09 0.00 0.00 42.92 40.91 1ap4 s ASP 87 CO 0.00 -0.15 0.00 0.47 0.70 0.00 0.00 175.17 176.19 1ap4 n ASP 88 N 2.57 1.54 0.00 2.11 9.92 -1.26 -5.28 116.55 126.15 1ap4 n ASP 88 Ca 0.24 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.50 1ap4 n ASP 88 Cb 0.42 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79