#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 -0.04 -1.09 6.12 2.03 -1.26 -4.25 116.55 118.05 1ap4 n ASP 2 Ca 0.00 -0.02 -0.14 0.00 0.52 0.00 0.00 54.79 55.15 1ap4 n ASP 2 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1ap4 n ASP 2 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ap4 n ASP 3 N -0.11 -5.21 0.09 1.67 9.92 -1.26 -4.88 116.55 116.77 1ap4 n ASP 3 Ca 0.00 0.35 -0.10 0.00 -0.53 0.00 0.00 54.79 54.52 1ap4 n ASP 3 Cb 0.00 -3.96 -0.06 0.00 -0.64 0.00 0.00 41.12 36.45 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1ap4 h ILE 4 N 0.00 0.59 -0.06 0.53 2.04 -2.02 -3.14 117.51 115.46 1ap4 h ILE 4 Ca -0.29 -0.99 -0.00 0.00 1.00 0.00 0.00 64.86 64.58 1ap4 h ILE 4 Cb 1.09 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1ap4 h ILE 4 CO 0.43 0.15 0.02 1.88 0.00 0.00 0.00 178.15 180.63 1ap4 h TYR 5 N -0.94 0.09 -0.85 1.37 -1.99 -1.95 -2.67 116.97 110.03 1ap4 h TYR 5 Ca -0.03 -0.01 0.16 0.00 2.00 0.00 0.00 58.73 60.86 1ap4 h TYR 5 Cb 0.48 -0.03 -0.16 0.00 2.00 0.00 0.00 36.73 39.02 1ap4 h TYR 5 CO 0.06 0.22 -0.24 -0.22 -0.00 0.00 0.00 178.16 177.98 1ap4 h LYS 6 N -0.07 -0.01 -0.79 4.88 3.64 -1.97 0.64 116.57 122.88 1ap4 h LYS 6 Ca 0.02 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1ap4 h LYS 6 Cb 0.17 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1ap4 h LYS 6 CO -0.00 -0.01 0.39 0.00 -2.27 0.00 0.00 179.45 177.55 1ap4 h ALA 7 N 1.73 1.18 -0.57 5.00 0.00 -1.47 -2.85 119.26 122.29 1ap4 h ALA 7 Ca 0.39 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.26 1ap4 h ALA 7 Cb 0.62 -0.32 -0.11 0.00 0.00 0.00 0.00 17.79 17.98 1ap4 h ALA 7 CO -0.87 0.63 -0.25 0.00 0.00 0.00 0.00 179.25 178.76 1ap4 h ALA 8 N 1.29 0.15 -0.87 0.00 0.00 0.64 1.06 119.26 121.55 1ap4 h ALA 8 Ca 0.27 0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.45 1ap4 h ALA 8 Cb 0.10 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1ap4 h ALA 8 CO -0.04 -0.56 0.56 0.28 0.00 0.00 0.00 179.25 179.50 1ap4 h VAL 9 N -0.10 1.04 0.00 0.00 2.07 -1.25 -0.69 116.25 117.32 1ap4 h VAL 9 Ca 0.25 -0.32 -0.16 0.00 0.82 0.00 0.00 66.70 67.29 1ap4 h VAL 9 Cb 0.51 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1ap4 h VAL 9 CO -0.63 0.17 -0.77 -0.08 0.02 0.00 0.00 177.57 176.27 1ap4 h GLU 10 N 0.95 0.00 0.00 1.57 4.81 -0.21 -3.04 114.58 118.66 1ap4 h GLU 10 Ca 0.38 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.59 1ap4 h GLU 10 Cb 0.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1ap4 h GLU 10 CO -0.14 0.77 -0.10 1.96 -0.73 0.00 0.00 179.01 180.77 1ap4 h GLN 11 N 0.00 0.00 0.00 1.92 4.20 0.25 -3.44 115.11 118.04 1ap4 h GLN 11 Ca -0.01 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1ap4 h GLN 11 Cb 1.38 0.00 0.07 0.00 0.30 0.00 0.00 27.48 29.24 1ap4 h GLN 11 CO 0.10 0.10 -0.06 1.28 -0.67 0.00 0.00 178.83 179.58 1ap4 n LEU 12 N -3.62 0.00 -4.79 1.46 4.77 -0.99 -4.98 117.00 108.85 1ap4 n LEU 12 Ca -0.02 -0.30 -0.30 0.00 -0.03 0.00 0.00 56.01 55.36 1ap4 n LEU 12 Cb 0.22 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1ap4 n LEU 12 CO 0.29 -1.99 -0.25 0.42 -1.33 0.00 0.00 177.39 174.54 1ap4 s THR 13 N -1.41 4.59 0.12 -5.08 -4.23 -1.26 -4.97 115.64 103.39 1ap4 s THR 13 Ca 0.23 -0.78 -0.25 0.00 -1.18 0.00 0.00 61.69 59.71 1ap4 s THR 13 Cb -0.04 -3.23 -0.05 0.00 1.34 0.00 0.00 72.50 70.52 1ap4 s THR 13 CO 0.19 0.10 1.64 -0.33 -0.54 0.00 0.00 174.62 175.69 1ap4 h GLU 14 N 3.18 -0.35 -0.17 3.99 5.08 -1.94 0.10 114.58 124.47 1ap4 h GLU 14 Ca -0.47 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1ap4 h GLU 14 Cb 1.17 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1ap4 h GLU 14 CO 0.66 -0.23 0.18 1.05 -1.00 0.00 0.00 179.01 179.67 1ap4 h GLU 15 N -0.36 0.00 0.07 2.33 4.11 -1.98 0.18 114.58 118.93 1ap4 h GLU 15 Ca 0.06 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.37 1ap4 h GLU 15 Cb 0.44 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.70 1ap4 h GLU 15 CO -0.21 0.00 -0.57 0.37 0.07 0.00 0.00 179.01 178.68 1ap4 h GLN 16 N 0.00 0.16 0.00 1.06 4.15 -1.47 -3.23 115.11 115.78 1ap4 h GLN 16 Ca 0.08 -0.27 -0.08 0.00 0.77 0.00 0.00 58.65 59.16 1ap4 h GLN 16 Cb 0.44 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 1ap4 h GLN 16 CO -0.00 1.13 -0.37 0.87 -1.93 0.00 0.00 178.83 178.53 1ap4 h LYS 17 N -0.66 0.00 0.00 1.69 1.57 -0.33 -2.52 116.57 116.32 1ap4 h LYS 17 Ca -0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1ap4 h LYS 17 Cb 1.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.68 1ap4 h LYS 17 CO 0.06 0.37 -0.07 -0.91 -0.57 0.00 0.00 179.45 178.33 1ap4 h ASN 18 N 0.00 0.00 0.07 0.86 2.35 -0.77 -3.00 115.58 115.09 1ap4 h ASN 18 Ca -0.00 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.51 1ap4 h ASN 18 Cb 0.78 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.18 1ap4 h ASN 18 CO 0.05 0.07 -0.95 -0.08 -1.65 0.00 0.00 177.43 174.87 1ap4 h GLU 19 N 0.00 0.52 -0.28 0.81 4.81 -1.46 -3.23 114.58 115.75 1ap4 h GLU 19 Ca -0.00 -0.65 0.03 0.00 -0.13 0.00 0.00 59.36 58.61 1ap4 h GLU 19 Cb 0.56 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1ap4 h GLU 19 CO 0.01 1.27 0.19 0.74 -0.73 0.00 0.00 179.01 180.48 1ap4 h PHE 20 N 0.07 0.24 0.20 0.92 0.04 -1.53 -2.75 116.94 114.13 1ap4 h PHE 20 Ca -0.14 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.65 1ap4 h PHE 20 Cb 1.65 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 39.70 1ap4 h PHE 20 CO 0.14 0.14 -0.24 -0.22 -0.60 0.00 0.00 178.31 177.53 1ap4 h LYS 21 N 0.25 -0.47 -0.00 1.51 3.64 -1.56 0.46 116.57 120.40 1ap4 h LYS 21 Ca 0.12 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1ap4 h LYS 21 Cb 0.16 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 1ap4 h LYS 21 CO -0.02 -0.31 -0.46 0.00 -2.27 0.00 0.00 179.45 176.39 1ap4 h ALA 22 N 0.22 -0.89 -0.84 5.00 0.00 -1.60 -0.86 119.26 120.29 1ap4 h ALA 22 Ca 0.01 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1ap4 h ALA 22 Cb 0.47 0.89 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1ap4 h ALA 22 CO -0.08 -1.02 0.55 0.00 0.00 0.00 0.00 179.25 178.69 1ap4 h ALA 23 N -0.58 1.86 -0.37 0.00 0.00 -1.56 -1.98 119.26 116.62 1ap4 h ALA 23 Ca 0.01 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1ap4 h ALA 23 Cb 0.62 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1ap4 h ALA 23 CO -0.31 -0.07 -0.01 0.35 0.00 0.00 0.00 179.25 179.22 1ap4 h PHE 24 N 0.66 -0.03 0.00 0.00 3.04 0.54 0.18 116.94 121.32 1ap4 h PHE 24 Ca 0.41 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.39 1ap4 h PHE 24 Cb 0.66 0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.24 1ap4 h PHE 24 CO -0.00 -0.08 0.00 -0.25 -2.02 0.00 0.00 178.31 175.96 1ap4 n ASP 25 N -5.19 0.48 0.06 0.41 9.92 -0.76 -2.39 116.55 119.07 1ap4 n ASP 25 Ca 0.02 0.63 -0.07 0.00 -0.53 0.00 0.00 54.79 54.84 1ap4 n ASP 25 Cb 0.19 -0.72 -0.11 0.00 -0.64 0.00 0.00 41.12 39.84 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 1.64 0.00 0.53 2.04 -0.47 -3.18 117.51 118.07 1ap4 h ILE 26 Ca 0.00 -3.34 0.00 0.00 1.00 0.00 0.00 64.86 62.52 1ap4 h ILE 26 Cb 0.30 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1ap4 h ILE 26 CO 0.00 0.94 0.00 0.49 0.00 0.00 0.00 178.15 179.58 1ap4 n PHE 27 N -3.33 0.64 -1.38 1.37 3.72 -1.00 -2.99 117.46 114.49 1ap4 n PHE 27 Ca -0.01 0.21 -0.04 0.00 -0.05 0.00 0.00 57.45 57.57 1ap4 n PHE 27 Cb 0.93 -0.84 0.21 0.00 -0.94 0.00 0.00 39.48 38.84 1ap4 n PHE 27 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1ap4 n VAL 28 N -2.04 2.55 -0.19 -4.37 0.24 -1.20 -4.73 118.33 108.58 1ap4 n VAL 28 Ca 0.05 -2.60 -0.04 0.00 -2.04 0.00 0.00 64.34 59.71 1ap4 n VAL 28 Cb 0.33 -0.32 0.02 0.00 -1.47 0.00 0.00 33.84 32.41 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 1.09 -0.96 -2.25 1.34 3.38 -1.58 -1.16 115.31 115.17 1ap4 h LEU 29 Ca 0.22 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1ap4 h LEU 29 Cb 1.69 0.50 0.00 0.00 0.09 0.00 0.00 40.66 42.95 1ap4 h LEU 29 CO 0.40 -0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1ap4 n GLY 30 N -1.43 1.50 3.09 0.83 0.00 -1.26 -5.01 105.19 102.91 1ap4 n GLY 30 Ca 0.05 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 1.11 -3.03 -0.06 4.61 0.00 -0.44 -4.94 120.51 117.75 1ap4 n ALA 31 Ca 0.15 -1.16 -0.04 0.00 0.00 0.00 0.00 53.44 52.38 1ap4 n ALA 31 Cb 0.50 -1.04 -0.13 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.49 1.20 0.00 0.00 0.28 -1.26 -4.75 120.64 115.63 1ap4 n GLU 32 Ca 0.01 -0.04 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1ap4 n GLU 32 Cb 0.54 -1.41 0.00 0.00 1.43 0.00 0.00 31.44 32.01 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1ap4 n ASP 33 N -2.47 3.73 0.00 -1.84 5.75 -1.26 -5.05 116.55 115.41 1ap4 n ASP 33 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 1ap4 n ASP 33 Cb 0.89 0.23 0.00 0.00 -1.03 0.00 0.00 41.12 41.20 1ap4 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ap4 n GLY 34 N 2.81 0.96 3.34 6.12 0.00 -1.26 -5.15 105.19 112.01 1ap4 n GLY 34 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 0.93 3.69 -0.16 0.00 5.41 -0.57 -4.63 119.36 124.03 1ap4 n ILE 36 Ca -0.18 -5.28 -0.11 0.00 1.00 0.00 0.00 62.75 58.18 1ap4 n ILE 36 Cb 0.54 -2.41 0.11 0.00 -0.71 0.00 0.00 39.64 37.16 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 2.27 -2.66 0.12 4.38 7.64 -1.26 -2.62 113.62 121.49 1ap4 n SER 37 Ca 0.23 -0.38 -0.01 0.00 1.01 0.00 0.00 58.87 59.72 1ap4 n SER 37 Cb 0.37 -0.37 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 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 -2.54 1.30 -0.87 0.44 1.03 -1.96 -3.20 112.91 107.10 1ap4 h THR 38 Ca -0.15 -2.48 0.08 0.00 -0.01 0.00 0.00 66.41 63.85 1ap4 h THR 38 Cb 0.49 2.41 -0.07 0.00 -1.07 0.00 0.00 68.15 69.92 1ap4 h THR 38 CO 0.09 0.66 0.53 0.07 -0.01 0.00 0.00 175.52 176.86 1ap4 h LYS 39 N 0.00 0.89 -0.93 0.00 2.10 -1.94 -2.02 116.57 114.67 1ap4 h LYS 39 Ca -0.01 -0.05 -0.63 0.00 -2.00 0.00 0.00 60.65 57.96 1ap4 h LYS 39 Cb 1.36 -0.20 -0.34 0.00 -0.90 0.00 0.00 32.23 32.14 1ap4 h LYS 39 CO 0.09 0.59 0.23 -1.91 -2.00 0.00 0.00 179.45 176.45 1ap4 n GLU 40 N -4.66 3.04 -0.01 0.07 4.07 -1.22 -4.56 120.64 117.38 1ap4 n GLU 40 Ca 0.14 -3.63 -0.01 0.00 -0.06 0.00 0.00 57.16 53.59 1ap4 n GLU 40 Cb 0.24 -2.29 -0.00 0.00 -0.06 0.00 0.00 31.44 29.33 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1ap4 n LEU 41 N -0.83 1.19 -0.22 4.31 4.77 -0.76 -4.31 117.00 121.15 1ap4 n LEU 41 Ca 0.56 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 56.42 1ap4 n LEU 41 Cb 0.77 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.74 1ap4 n LEU 41 CO 0.64 0.21 0.51 1.23 -1.33 0.00 0.00 177.39 178.65 1ap4 h GLY 42 N 0.01 -0.85 1.02 -0.72 0.00 -1.80 1.14 103.07 101.87 1ap4 h GLY 42 Ca -0.03 0.70 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1ap4 h GLY 42 CO -0.01 -0.09 0.63 0.50 0.00 0.00 0.00 176.54 177.57 1ap4 h LYS 43 N -0.27 1.31 0.25 4.80 6.56 -1.87 -2.54 116.57 124.82 1ap4 h LYS 43 Ca 0.12 -0.09 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1ap4 h LYS 43 Cb 0.55 -0.29 -0.00 0.00 -0.57 0.00 0.00 32.23 31.92 1ap4 h LYS 43 CO -0.70 0.89 -0.14 0.28 -2.06 0.00 0.00 179.45 177.72 1ap4 h VAL 44 N 1.35 0.72 -0.97 0.50 2.07 -0.50 0.97 116.25 120.39 1ap4 h VAL 44 Ca 0.36 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.11 1ap4 h VAL 44 Cb -0.12 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 30.29 1ap4 h VAL 44 CO -0.07 0.00 0.63 0.24 0.02 0.00 0.00 177.57 178.39 1ap4 h MET 45 N -0.36 0.40 -0.07 1.57 2.86 0.14 0.59 114.93 120.06 1ap4 h MET 45 Ca -0.03 -0.02 -0.17 0.00 -2.06 0.00 0.00 59.70 57.41 1ap4 h MET 45 Cb 0.29 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.87 1ap4 h MET 45 CO 0.04 0.26 -0.64 -0.09 1.06 0.00 0.00 176.91 177.55 1ap4 h ARG 46 N 0.41 0.55 0.09 1.72 2.43 -0.91 0.36 114.38 119.03 1ap4 h ARG 46 Ca 0.52 -0.50 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1ap4 h ARG 46 Cb 1.30 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.93 1ap4 h ARG 46 CO -0.22 1.13 -0.40 0.52 -1.51 0.00 0.00 179.97 179.49 1ap4 h MET 47 N 0.15 -0.59 0.00 0.20 2.86 0.14 -3.10 114.93 114.59 1ap4 h MET 47 Ca -0.06 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ap4 h MET 47 Cb 1.30 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.09 1ap4 h MET 47 CO 0.13 -0.39 0.00 1.28 1.06 0.00 0.00 176.91 178.98 1ap4 n LEU 48 N -5.45 0.00 0.00 1.22 4.77 -0.78 -4.82 117.00 111.94 1ap4 n LEU 48 Ca -0.07 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 1ap4 n LEU 48 Cb 0.37 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1ap4 n LEU 48 CO 0.19 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.41 1ap4 n GLY 49 N -0.98 0.00 3.67 -0.72 0.00 -1.17 -5.14 105.19 100.85 1ap4 n GLY 49 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 2.09 -0.42 1.61 -0.21 0.11 -5.01 119.66 117.82 1ap4 s GLN 50 Ca 0.00 -2.31 0.09 0.00 0.02 0.00 0.00 55.36 53.16 1ap4 s GLN 50 Cb 0.00 -1.20 0.33 0.00 1.00 0.00 0.00 33.01 33.14 1ap4 s GLN 50 CO 0.00 -0.39 0.93 -1.71 -2.12 0.00 0.00 175.29 172.00 1ap4 n ASN 51 N -1.27 -0.86 -4.80 5.90 2.85 -1.26 -3.90 115.26 111.93 1ap4 n ASN 51 Ca -0.14 -3.36 -0.31 0.00 -0.11 0.00 0.00 54.58 50.65 1ap4 n ASN 51 Cb 0.66 0.72 0.05 0.00 1.24 0.00 0.00 39.78 42.46 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1ap4 s PRO 52 N -0.99 2.81 0.70 1.20 0.04 -1.26 -5.06 135.00 132.44 1ap4 s PRO 52 Ca 0.31 1.08 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 1ap4 s PRO 52 Cb 0.31 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.99 1ap4 s PRO 52 CO -0.07 -1.20 0.97 0.95 0.04 0.00 0.00 177.00 177.68 1ap4 s THR 53 N -2.86 2.24 -0.03 1.26 -4.23 -1.26 -4.96 115.64 105.80 1ap4 s THR 53 Ca 0.60 -0.56 -0.25 0.00 -1.18 0.00 0.00 61.69 60.30 1ap4 s THR 53 Cb -0.16 -2.68 -0.20 0.00 1.34 0.00 0.00 72.50 70.80 1ap4 s THR 53 CO 0.51 0.00 1.20 1.55 -0.54 0.00 0.00 174.62 177.34 1ap4 h PRO 54 N -0.46 0.08 -0.82 3.99 0.13 -2.00 -2.36 132.00 130.57 1ap4 h PRO 54 Ca -0.38 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 1ap4 h PRO 54 Cb 1.27 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1ap4 h PRO 54 CO 0.44 0.64 0.39 0.93 -0.23 0.00 0.00 178.00 180.17 1ap4 h GLU 55 N -0.47 1.17 0.00 0.86 5.08 -2.02 -1.83 114.58 117.38 1ap4 h GLU 55 Ca 0.00 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1ap4 h GLU 55 Cb 0.64 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ap4 h GLU 55 CO 0.01 0.90 -0.11 0.93 -1.00 0.00 0.00 179.01 179.74 1ap4 h GLU 56 N 1.16 0.00 0.00 2.33 5.08 -1.95 -2.74 114.58 118.45 1ap4 h GLU 56 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1ap4 h GLU 56 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ap4 h GLU 56 CO -0.04 0.11 0.00 -0.11 -1.00 0.00 0.00 179.01 177.98 1ap4 n LEU 57 N -3.38 0.00 -0.08 1.33 7.94 -0.69 -0.65 117.00 121.48 1ap4 n LEU 57 Ca -0.01 0.96 -0.12 0.00 -1.11 0.00 0.00 56.01 55.74 1ap4 n LEU 57 Cb 0.30 -0.46 -0.05 0.00 0.53 0.00 0.00 43.42 43.74 1ap4 n LEU 57 CO 0.29 -0.46 0.73 -0.61 -1.11 0.00 0.00 177.39 176.23 1ap4 h GLN 58 N 0.00 0.42 -0.65 1.96 5.75 -1.68 -2.61 115.11 118.30 1ap4 h GLN 58 Ca 0.00 -0.15 0.11 0.00 -0.15 0.00 0.00 58.65 58.46 1ap4 h GLN 58 Cb 0.00 -0.03 -0.12 0.00 1.07 0.00 0.00 27.48 28.40 1ap4 h GLN 58 CO 0.00 0.64 -0.32 0.93 -2.65 0.00 0.00 178.83 177.43 1ap4 h GLU 59 N 0.16 -0.12 0.73 1.69 4.39 -1.48 0.82 114.58 120.78 1ap4 h GLU 59 Ca 0.06 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 1ap4 h GLU 59 Cb 0.47 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1ap4 h GLU 59 CO 0.02 -0.08 -0.35 0.52 -1.16 0.00 0.00 179.01 177.95 1ap4 h MET 60 N -0.13 -0.95 -0.78 2.33 2.86 -0.84 -2.44 114.93 114.99 1ap4 h MET 60 Ca 0.26 0.06 0.17 0.00 -2.06 0.00 0.00 59.70 58.13 1ap4 h MET 60 Cb 0.55 0.22 -0.05 0.00 0.06 0.00 0.00 31.60 32.38 1ap4 h MET 60 CO -0.72 -0.63 0.52 0.82 1.06 0.00 0.00 176.91 177.96 1ap4 h ILE 61 N -1.00 0.75 0.00 -1.22 2.04 -0.92 0.52 117.51 117.69 1ap4 h ILE 61 Ca -0.10 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1ap4 h ILE 61 Cb 0.76 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1ap4 h ILE 61 CO 0.17 0.07 0.00 -0.67 0.00 0.00 0.00 178.15 177.71 1ap4 n ASP 62 N -4.47 0.00 -0.04 1.72 2.03 0.28 -1.42 116.55 114.65 1ap4 n ASP 62 Ca 0.15 0.16 -0.03 0.00 0.52 0.00 0.00 54.79 55.60 1ap4 n ASP 62 Cb 0.59 -0.31 -0.08 0.00 -0.72 0.00 0.00 41.12 40.61 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 -1.31 2.00 0.00 -0.67 -0.58 0.18 -4.53 120.64 115.74 1ap4 n GLU 63 Ca 0.05 -0.02 0.12 0.00 -0.42 0.00 0.00 57.16 56.89 1ap4 n GLU 63 Cb 0.09 -1.25 0.18 0.00 -0.57 0.00 0.00 31.44 29.90 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 -2.25 0.00 -3.04 2.62 3.14 -0.92 -4.83 118.33 113.05 1ap4 n VAL 64 Ca -0.13 -0.16 -0.42 0.00 -2.96 0.00 0.00 64.34 60.67 1ap4 n VAL 64 Cb 0.70 0.77 -0.06 0.00 -1.06 0.00 0.00 33.84 34.20 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 -2.57 6.52 0.00 6.55 -1.08 -0.51 -4.81 116.67 120.77 1ap4 s ASP 65 Ca 0.20 0.35 0.11 0.00 -0.52 0.00 0.00 52.55 52.69 1ap4 s ASP 65 Cb 0.18 -2.36 -0.02 0.00 -1.46 0.00 0.00 42.92 39.26 1ap4 s ASP 65 CO 0.58 -0.62 0.64 -0.62 0.52 0.00 0.00 175.17 175.68 1ap4 n GLU 66 N 6.16 2.25 0.00 4.34 1.02 -1.26 -4.40 120.64 128.74 1ap4 n GLU 66 Ca 0.01 -0.53 0.13 0.00 -0.02 0.00 0.00 57.16 56.74 1ap4 n GLU 66 Cb 0.48 -1.11 0.26 0.00 -0.02 0.00 0.00 31.44 31.06 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ap4 n ASP 67 N -0.41 2.39 -3.82 1.62 5.68 -1.26 -4.95 116.55 115.80 1ap4 n ASP 67 Ca 0.04 -1.78 -0.26 0.00 -0.50 0.00 0.00 54.79 52.29 1ap4 n ASP 67 Cb 0.23 0.02 0.03 0.00 -1.14 0.00 0.00 41.12 40.25 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 1.29 -0.38 0.01 6.12 0.00 -1.26 -4.86 105.19 106.10 1ap4 n GLY 68 Ca 0.16 0.16 0.07 0.00 0.00 0.00 0.00 46.02 46.41 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 -2.95 1.67 0.00 1.61 3.41 -1.26 -4.97 113.62 111.13 1ap4 n SER 69 Ca -0.15 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1ap4 n SER 69 Cb 0.61 1.62 0.00 0.00 -0.26 0.00 0.00 64.21 66.18 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 1.67 0.73 3.42 5.00 0.00 -1.26 -5.00 105.19 109.74 1ap4 n GLY 70 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 2.31 -0.21 2.61 -4.23 -1.26 -4.34 115.64 107.52 1ap4 s THR 71 Ca 0.00 -2.09 -0.06 0.00 -1.18 0.00 0.00 61.69 58.35 1ap4 s THR 71 Cb 0.00 -2.12 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 1ap4 s THR 71 CO 0.00 -0.20 0.04 -0.69 -0.54 0.00 0.00 174.62 173.23 1ap4 s VAL 72 N -1.89 4.35 0.47 2.29 1.01 -1.08 -4.91 120.40 120.65 1ap4 s VAL 72 Ca 0.22 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.06 1ap4 s VAL 72 Cb -0.07 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1ap4 s VAL 72 CO 0.10 0.41 0.03 1.51 0.00 0.00 0.00 175.10 177.15 1ap4 s ASP 73 N 0.94 4.07 0.51 3.32 1.47 -1.26 -1.51 116.67 124.21 1ap4 s ASP 73 Ca 0.03 -1.52 0.36 0.00 1.18 0.00 0.00 52.55 52.60 1ap4 s ASP 73 Cb -0.14 0.16 1.51 0.00 -0.34 0.00 0.00 42.92 44.11 1ap4 s ASP 73 CO 0.02 -0.71 1.71 0.15 0.68 0.00 0.00 175.17 177.03 1ap4 h PHE 74 N 1.48 0.19 0.25 2.11 3.57 -1.96 2.15 116.94 124.74 1ap4 h PHE 74 Ca -0.44 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 1ap4 h PHE 74 Cb 1.29 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1ap4 h PHE 74 CO 1.20 -0.03 -0.12 -0.44 -2.23 0.00 0.00 178.31 176.69 1ap4 h ASP 75 N 0.07 -0.29 0.18 0.41 3.32 -2.01 -3.20 116.42 114.91 1ap4 h ASP 75 Ca 0.70 -0.24 -0.33 0.00 0.02 0.00 0.00 57.03 57.19 1ap4 h ASP 75 Cb 2.56 0.07 0.01 0.00 0.22 0.00 0.00 39.33 42.19 1ap4 h ASP 75 CO -0.13 0.15 -1.59 -0.33 -1.72 0.00 0.00 179.24 175.63 1ap4 h GLU 76 N -0.80 0.38 -0.97 3.56 5.08 -1.30 -3.28 114.58 117.24 1ap4 h GLU 76 Ca -0.03 -0.66 0.31 0.00 -1.00 0.00 0.00 59.36 57.98 1ap4 h GLU 76 Cb 0.51 0.24 -0.15 0.00 0.50 0.00 0.00 28.75 29.85 1ap4 h GLU 76 CO 0.06 1.31 0.45 0.35 -1.00 0.00 0.00 179.01 180.18 1ap4 h PHE 77 N 0.00 0.71 -0.08 4.33 3.57 0.33 0.16 116.94 125.96 1ap4 h PHE 77 Ca -0.31 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.07 1ap4 h PHE 77 Cb 2.02 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 40.61 1ap4 h PHE 77 CO 0.12 -0.25 -0.59 -0.07 -2.23 0.00 0.00 178.31 175.29 1ap4 h LEU 78 N 0.23 0.65 -1.86 0.59 3.38 -1.67 -3.11 115.31 113.52 1ap4 h LEU 78 Ca 0.70 -0.68 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1ap4 h LEU 78 Cb 1.59 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1ap4 h LEU 78 CO -0.66 1.23 0.12 0.58 0.09 0.00 0.00 178.44 179.79 1ap4 h VAL 79 N 0.13 1.02 -0.38 1.22 2.07 -0.83 -0.97 116.25 118.51 1ap4 h VAL 79 Ca -0.05 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.29 1ap4 h VAL 79 Cb 1.25 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1ap4 h VAL 79 CO 0.12 0.03 -0.22 -0.03 0.02 0.00 0.00 177.57 177.50 1ap4 h MET 80 N 0.18 0.81 -0.00 1.57 4.05 -1.08 -1.39 114.93 119.06 1ap4 h MET 80 Ca 0.07 -0.37 -0.00 0.00 -0.28 0.00 0.00 59.70 59.12 1ap4 h MET 80 Cb 0.05 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.83 1ap4 h MET 80 CO -0.01 1.00 -0.00 0.52 0.23 0.00 0.00 176.91 178.64 1ap4 h MET 81 N 0.61 0.01 -0.24 0.39 2.07 -1.29 -2.91 114.93 113.58 1ap4 h MET 81 Ca 0.08 -0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.72 1ap4 h MET 81 Cb 0.78 -0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.49 1ap4 h MET 81 CO 0.06 0.46 0.16 -0.24 1.07 0.00 0.00 176.91 178.42 1ap4 h VAL 82 N -0.44 1.03 -0.30 -2.22 3.04 -1.24 -1.59 116.25 114.53 1ap4 h VAL 82 Ca 0.00 -0.09 -0.09 0.00 -1.01 0.00 0.00 66.70 65.51 1ap4 h VAL 82 Cb 0.46 0.74 -0.02 0.00 -2.01 0.00 0.00 31.29 30.46 1ap4 h VAL 82 CO 0.00 0.05 -0.19 0.03 -1.01 0.00 0.00 177.57 176.44 1ap4 h ARG 83 N 0.26 0.56 -0.05 4.17 3.08 -1.14 -0.19 114.38 121.08 1ap4 h ARG 83 Ca 0.09 -0.20 -0.12 0.00 0.07 0.00 0.00 59.98 59.83 1ap4 h ARG 83 Cb 0.05 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1ap4 h ARG 83 CO -0.02 0.73 -0.42 0.00 -1.07 0.00 0.00 179.97 179.18 1ap4 h MET 85 N -0.11 0.00 -6.14 0.00 -0.00 -1.40 -3.47 114.93 103.80 1ap4 h MET 85 Ca -0.04 0.00 -0.39 0.00 -0.00 0.00 0.00 59.70 59.27 1ap4 h MET 85 Cb 1.10 0.00 0.09 0.00 -0.00 0.00 0.00 31.60 32.78 1ap4 h MET 85 CO 0.09 0.11 -0.88 1.63 -0.00 0.00 0.00 176.91 177.86 1ap4 n LYS 86 N -3.22 -1.31 0.00 -0.10 5.02 -0.09 -4.59 118.16 113.87 1ap4 n LYS 86 Ca 0.01 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1ap4 n LYS 86 Cb 0.40 -4.24 0.00 0.00 -0.02 0.00 0.00 35.03 31.18 1ap4 n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ap4 n ASP 87 N -2.65 -2.97 -0.00 4.39 2.03 -1.25 -4.65 116.55 111.44 1ap4 n ASP 87 Ca -0.10 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.21 1ap4 n ASP 87 Cb 0.59 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.99 1ap4 n ASP 87 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1ap4 h ASP 88 N 0.00 0.00 0.00 1.67 3.32 -1.98 -3.52 116.42 115.91 1ap4 h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ap4 h ASP 88 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ap4 h ASP 88 CO 0.00 0.04 0.00 -1.20 -1.72 0.00 0.00 179.24 176.36