#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 3.19 -0.08 3.17 8.00 -1.26 -4.89 116.55 124.69 1ap4 n ASP 2 Ca 0.00 1.16 0.02 0.00 0.71 0.00 0.00 54.79 56.68 1ap4 n ASP 2 Cb 0.00 -1.50 0.02 0.00 -0.02 0.00 0.00 41.12 39.62 1ap4 n ASP 2 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ap4 n ASP 3 N 1.86 1.19 0.05 -2.24 8.00 -1.26 -4.78 116.55 119.37 1ap4 n ASP 3 Ca 0.09 -1.89 -0.13 0.00 0.71 0.00 0.00 54.79 53.57 1ap4 n ASP 3 Cb 0.34 -0.10 -0.09 0.00 -0.02 0.00 0.00 41.12 41.25 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1ap4 h ILE 4 N 1.83 1.08 -0.54 0.53 2.04 -2.01 -3.00 117.51 117.45 1ap4 h ILE 4 Ca 0.00 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 1ap4 h ILE 4 Cb 0.86 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1ap4 h ILE 4 CO 0.00 0.20 0.20 1.88 0.00 0.00 0.00 178.15 180.44 1ap4 h TYR 5 N -0.56 0.83 -0.54 1.37 0.05 -1.99 -2.12 116.97 114.00 1ap4 h TYR 5 Ca -0.02 -0.07 0.10 0.00 0.05 0.00 0.00 58.73 58.79 1ap4 h TYR 5 Cb 0.45 -0.25 -0.11 0.00 1.01 0.00 0.00 36.73 37.84 1ap4 h TYR 5 CO 0.06 0.69 -0.36 0.87 -1.05 0.00 0.00 178.16 178.37 1ap4 h LYS 6 N 0.73 -0.19 0.00 4.88 1.57 -1.86 0.40 116.57 122.10 1ap4 h LYS 6 Ca 0.18 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1ap4 h LYS 6 Cb 0.22 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1ap4 h LYS 6 CO -0.01 -0.13 -0.30 0.00 -0.57 0.00 0.00 179.45 178.44 1ap4 h ALA 7 N 0.86 1.45 -0.63 3.86 0.00 -1.38 -2.59 119.26 120.82 1ap4 h ALA 7 Ca 0.21 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ap4 h ALA 7 Cb 0.55 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1ap4 h ALA 7 CO -0.65 0.37 0.42 0.00 0.00 0.00 0.00 179.25 179.39 1ap4 h ALA 8 N 1.70 1.72 -0.23 0.00 0.00 0.47 -0.98 119.26 121.94 1ap4 h ALA 8 Ca -0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1ap4 h ALA 8 Cb 0.55 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ap4 h ALA 8 CO 0.04 0.20 -0.39 0.28 0.00 0.00 0.00 179.25 179.38 1ap4 h VAL 9 N 0.69 1.30 0.00 0.00 2.07 -0.96 -2.87 116.25 116.48 1ap4 h VAL 9 Ca 0.26 -1.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.16 1ap4 h VAL 9 Cb 0.17 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1ap4 h VAL 9 CO -0.08 0.48 -0.44 -0.33 0.02 0.00 0.00 177.57 177.22 1ap4 h GLU 10 N 0.43 0.00 0.00 1.57 5.08 -1.26 -3.07 114.58 117.34 1ap4 h GLU 10 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1ap4 h GLU 10 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1ap4 h GLU 10 CO 0.07 0.44 -0.10 1.96 -1.00 0.00 0.00 179.01 180.39 1ap4 h GLN 11 N 0.00 0.00 -6.39 2.33 7.50 -1.01 -3.43 115.11 114.10 1ap4 h GLN 11 Ca -0.00 0.00 -0.63 0.00 0.50 0.00 0.00 58.65 58.51 1ap4 h GLN 11 Cb 1.06 0.00 0.08 0.00 0.05 0.00 0.00 27.48 28.68 1ap4 h GLN 11 CO 0.06 0.10 0.31 1.28 -1.50 0.00 0.00 178.83 179.08 1ap4 n LEU 12 N -4.29 1.83 -4.71 1.46 4.77 -1.16 -4.91 117.00 109.99 1ap4 n LEU 12 Ca -0.03 1.15 -0.30 0.00 -0.03 0.00 0.00 56.01 56.80 1ap4 n LEU 12 Cb 0.18 -1.26 0.14 0.00 -2.33 0.00 0.00 43.42 40.14 1ap4 n LEU 12 CO 0.34 -1.17 0.67 0.42 -1.33 0.00 0.00 177.39 176.32 1ap4 s THR 13 N -0.26 2.70 0.23 -5.08 -4.23 -1.26 -4.81 115.64 102.93 1ap4 s THR 13 Ca 0.71 0.23 -0.06 0.00 -1.18 0.00 0.00 61.69 61.38 1ap4 s THR 13 Cb -0.80 -2.57 0.19 0.00 1.34 0.00 0.00 72.50 70.66 1ap4 s THR 13 CO 0.53 -0.30 1.78 1.05 -0.54 0.00 0.00 174.62 177.14 1ap4 h GLU 14 N -1.57 0.62 -0.64 3.99 4.11 -1.95 0.34 114.58 119.49 1ap4 h GLU 14 Ca -0.47 -0.04 0.18 0.00 0.07 0.00 0.00 59.36 59.11 1ap4 h GLU 14 Cb 1.27 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1ap4 h GLU 14 CO 0.50 0.41 0.55 1.05 0.07 0.00 0.00 179.01 181.59 1ap4 h GLU 15 N 0.63 0.00 0.25 1.06 4.11 -1.99 0.21 114.58 118.86 1ap4 h GLU 15 Ca 0.36 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.78 1ap4 h GLU 15 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1ap4 h GLU 15 CO -0.27 0.00 -0.12 1.96 0.07 0.00 0.00 179.01 180.65 1ap4 h GLN 16 N 0.00 -0.32 0.00 1.06 4.20 -1.25 -3.16 115.11 115.63 1ap4 h GLN 16 Ca 0.30 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1ap4 h GLN 16 Cb 1.40 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.25 1ap4 h GLN 16 CO -0.00 -0.19 0.00 1.63 -0.67 0.00 0.00 178.83 179.60 1ap4 n LYS 17 N -5.00 0.11 -0.00 1.46 5.02 -0.88 -2.13 118.16 116.74 1ap4 n LYS 17 Ca -0.04 0.47 -0.17 0.00 -2.02 0.00 0.00 58.31 56.54 1ap4 n LYS 17 Cb 0.15 -1.77 -0.10 0.00 -0.02 0.00 0.00 35.03 33.28 1ap4 n LYS 17 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1ap4 h ASN 18 N 0.00 0.62 0.85 4.39 4.21 -0.63 -2.93 115.58 122.10 1ap4 h ASN 18 Ca 0.00 -0.72 -0.23 0.00 1.21 0.00 0.00 56.30 56.56 1ap4 h ASN 18 Cb 0.18 -0.19 -0.04 0.00 -1.12 0.00 0.00 38.32 37.16 1ap4 h ASN 18 CO 0.00 1.25 -1.21 -0.33 -1.29 0.00 0.00 177.43 175.85 1ap4 h GLU 19 N 0.05 0.00 0.00 0.81 5.08 -1.46 -3.30 114.58 115.76 1ap4 h GLU 19 Ca -0.07 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1ap4 h GLU 19 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1ap4 h GLU 19 CO 0.13 0.83 -0.40 0.74 -1.00 0.00 0.00 179.01 179.31 1ap4 h PHE 20 N 0.00 0.00 -0.34 4.33 0.04 -1.52 -2.73 116.94 116.72 1ap4 h PHE 20 Ca -0.09 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.60 1ap4 h PHE 20 Cb 1.84 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.98 1ap4 h PHE 20 CO 0.00 0.40 -0.10 -0.22 -0.60 0.00 0.00 178.31 177.79 1ap4 h LYS 21 N 0.00 0.67 -0.33 1.51 3.64 -1.59 0.11 116.57 120.58 1ap4 h LYS 21 Ca -0.00 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1ap4 h LYS 21 Cb 0.72 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1ap4 h LYS 21 CO 0.05 0.85 0.15 0.00 -2.27 0.00 0.00 179.45 178.22 1ap4 h ALA 22 N 0.81 0.43 -0.10 5.00 0.00 -1.62 -2.57 119.26 121.20 1ap4 h ALA 22 Ca 0.08 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1ap4 h ALA 22 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ap4 h ALA 22 CO 0.04 0.01 -0.39 0.00 0.00 0.00 0.00 179.25 178.91 1ap4 h ALA 23 N 0.99 1.16 -0.87 0.00 0.00 -1.42 -2.93 119.26 116.19 1ap4 h ALA 23 Ca 0.11 -0.39 0.13 0.00 0.00 0.00 0.00 54.91 54.76 1ap4 h ALA 23 Cb 0.15 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 1ap4 h ALA 23 CO -0.01 0.56 0.49 0.35 0.00 0.00 0.00 179.25 180.64 1ap4 h PHE 24 N 0.19 0.87 0.00 0.00 3.04 -0.37 0.30 116.94 120.97 1ap4 h PHE 24 Ca 0.02 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 1ap4 h PHE 24 Cb 0.77 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 39.02 1ap4 h PHE 24 CO 0.01 0.28 -0.05 -0.44 -2.02 0.00 0.00 178.31 176.09 1ap4 h ASP 25 N 0.74 0.00 1.25 0.41 5.19 -1.40 -2.73 116.42 119.89 1ap4 h ASP 25 Ca 0.45 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.82 1ap4 h ASP 25 Cb 0.55 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1ap4 h ASP 25 CO -0.31 0.05 -0.23 0.40 -3.12 0.00 0.00 179.24 176.03 1ap4 h ILE 26 N 0.00 0.48 0.00 0.35 2.04 -0.41 -3.20 117.51 116.77 1ap4 h ILE 26 Ca -0.00 -1.30 -0.26 0.00 1.00 0.00 0.00 64.86 64.29 1ap4 h ILE 26 Cb 0.56 1.94 -0.05 0.00 -0.74 0.00 0.00 36.82 38.53 1ap4 h ILE 26 CO 0.01 0.23 -1.61 -0.26 0.00 0.00 0.00 178.15 176.51 1ap4 h PHE 27 N 0.00 0.00 0.00 1.37 0.04 -1.23 -3.30 116.94 113.82 1ap4 h PHE 27 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ap4 h PHE 27 Cb 0.92 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1ap4 h PHE 27 CO 0.00 0.92 0.00 1.33 -0.60 0.00 0.00 178.31 179.96 1ap4 n VAL 28 N -3.04 0.00 -1.49 -0.55 0.24 -1.16 -4.74 118.33 107.59 1ap4 n VAL 28 Ca -0.15 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.02 1ap4 n VAL 28 Cb 1.01 -0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 32.97 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 -0.77 0.68 0.00 1.34 7.99 -1.22 0.56 117.00 125.58 1ap4 n LEU 29 Ca 0.12 -1.61 0.00 0.00 -0.01 0.00 0.00 56.01 54.50 1ap4 n LEU 29 Cb 0.05 -1.37 0.00 0.00 -0.11 0.00 0.00 43.42 41.99 1ap4 n LEU 29 CO 0.09 -2.63 0.00 0.61 -1.51 0.00 0.00 177.39 173.95 1ap4 n GLY 30 N 6.14 1.33 1.32 -0.72 0.00 -1.26 -5.13 105.19 106.87 1ap4 n GLY 30 Ca 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.73 -0.03 4.61 0.00 0.19 -4.97 120.51 118.58 1ap4 n ALA 31 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 53.44 52.92 1ap4 n ALA 31 Cb 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.47 1.83 0.00 0.00 0.28 -1.26 -4.72 120.64 114.29 1ap4 n GLU 32 Ca 0.05 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1ap4 n GLU 32 Cb 0.20 -1.22 0.00 0.00 1.43 0.00 0.00 31.44 31.84 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 -2.16 0.11 0.00 -1.84 5.75 -1.26 -5.03 116.55 112.12 1ap4 n ASP 33 Ca -0.10 -0.44 0.00 0.00 -0.01 0.00 0.00 54.79 54.24 1ap4 n ASP 33 Cb 0.61 0.55 0.00 0.00 -1.03 0.00 0.00 41.12 41.24 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 0.55 0.69 3.35 6.12 0.00 -1.26 -5.14 105.19 109.49 1ap4 n GLY 34 Ca 0.00 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.41 4.19 -0.75 0.00 5.41 -1.20 -4.16 119.36 122.44 1ap4 n ILE 36 Ca -0.07 -5.53 -0.33 0.00 1.00 0.00 0.00 62.75 57.82 1ap4 n ILE 36 Cb 0.62 -2.25 0.14 0.00 -0.71 0.00 0.00 39.64 37.44 1ap4 n ILE 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1ap4 n SER 37 N 1.73 -2.41 0.07 4.38 2.88 -1.26 -3.06 113.62 115.95 1ap4 n SER 37 Ca 0.25 0.11 -0.13 0.00 -1.33 0.00 0.00 58.87 57.78 1ap4 n SER 37 Cb 0.36 -1.06 -0.07 0.00 -0.75 0.00 0.00 64.21 62.70 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 -1.75 0.94 -1.52 2.46 1.35 -1.94 -1.92 112.91 110.53 1ap4 h THR 38 Ca -0.48 -0.03 0.45 0.00 -0.55 0.00 0.00 66.41 65.80 1ap4 h THR 38 Cb 1.32 0.96 -0.07 0.00 -1.73 0.00 0.00 68.15 68.63 1ap4 h THR 38 CO 0.35 0.01 1.08 0.11 -0.25 0.00 0.00 175.52 176.82 1ap4 h LYS 39 N -0.10 0.03 -1.40 4.72 1.57 -1.95 0.56 116.57 120.00 1ap4 h LYS 39 Ca -0.01 -0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.08 1ap4 h LYS 39 Cb 0.08 -0.01 -0.31 0.00 0.08 0.00 0.00 32.23 32.07 1ap4 h LYS 39 CO 0.02 0.02 0.60 0.39 -0.57 0.00 0.00 179.45 179.90 1ap4 n GLU 40 N -4.17 2.89 0.00 3.15 1.02 -0.72 -4.51 120.64 118.29 1ap4 n GLU 40 Ca 0.35 -3.60 0.00 0.00 -0.02 0.00 0.00 57.16 53.89 1ap4 n GLU 40 Cb 1.57 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 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 -0.71 0.38 -0.23 -4.62 -0.00 0.20 -4.58 117.00 107.44 1ap4 n LEU 41 Ca 0.55 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 56.49 1ap4 n LEU 41 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.93 1ap4 n LEU 41 CO 0.60 -0.00 0.57 1.23 -0.00 0.00 0.00 177.39 179.79 1ap4 h GLY 42 N 0.00 -0.40 1.92 -3.96 0.00 -1.79 1.49 103.07 100.32 1ap4 h GLY 42 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1ap4 h GLY 42 CO 0.00 -0.16 0.04 0.07 0.00 0.00 0.00 176.54 176.49 1ap4 h LYS 43 N -0.19 0.00 0.13 4.80 2.10 -1.87 -1.37 116.57 120.17 1ap4 h LYS 43 Ca 0.20 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.64 1ap4 h LYS 43 Cb 0.56 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.91 1ap4 h LYS 43 CO -0.72 0.00 -0.87 0.28 -2.00 0.00 0.00 179.45 176.14 1ap4 h VAL 44 N 0.00 1.46 0.00 0.07 2.07 0.17 -3.19 116.25 116.83 1ap4 h VAL 44 Ca 0.00 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.06 1ap4 h VAL 44 Cb 0.08 3.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1ap4 h VAL 44 CO -0.00 0.71 0.00 0.24 0.02 0.00 0.00 177.57 178.54 1ap4 h MET 45 N -0.23 0.00 -0.03 1.57 2.86 -0.14 -1.61 114.93 117.36 1ap4 h MET 45 Ca -0.14 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.46 1ap4 h MET 45 Cb 1.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.31 1ap4 h MET 45 CO 0.16 0.00 -0.10 0.00 1.06 0.00 0.00 176.91 178.03 1ap4 h ARG 46 N 0.00 0.12 0.15 1.72 3.08 -1.29 0.99 114.38 119.15 1ap4 h ARG 46 Ca 0.00 -0.09 -0.23 0.00 0.07 0.00 0.00 59.98 59.73 1ap4 h ARG 46 Cb 0.54 0.02 0.03 0.00 0.08 0.00 0.00 29.97 30.64 1ap4 h ARG 46 CO 0.00 0.74 -1.00 0.00 -1.07 0.00 0.00 179.97 178.64 1ap4 h MET 47 N -0.47 0.41 -0.92 0.04 -0.00 -1.54 -3.24 114.93 109.21 1ap4 h MET 47 Ca -0.01 -0.64 0.27 0.00 -0.00 0.00 0.00 59.70 59.32 1ap4 h MET 47 Cb 0.75 0.23 -0.04 0.00 -0.00 0.00 0.00 31.60 32.55 1ap4 h MET 47 CO 0.02 1.29 0.81 -0.07 -0.00 0.00 0.00 176.91 178.97 1ap4 h LEU 48 N -0.15 0.00 0.00 -0.10 -0.00 -1.42 -3.43 115.31 110.22 1ap4 h LEU 48 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1ap4 h LEU 48 Cb 1.77 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.43 1ap4 h LEU 48 CO 0.19 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.24 1ap4 n GLY 49 N -1.67 1.08 3.79 0.83 0.00 -1.21 -5.08 105.19 102.93 1ap4 n GLY 49 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 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 2.30 -0.41 1.61 1.11 0.34 -5.01 119.66 119.60 1ap4 s GLN 50 Ca 0.00 -1.81 0.09 0.00 0.01 0.00 0.00 55.36 53.65 1ap4 s GLN 50 Cb 0.00 -2.07 0.32 0.00 -1.01 0.00 0.00 33.01 30.25 1ap4 s GLN 50 CO 0.00 -0.21 0.86 0.27 0.01 0.00 0.00 175.29 176.22 1ap4 n ASN 51 N -1.38 -0.65 -4.76 5.90 0.23 -1.25 -3.37 115.26 109.98 1ap4 n ASN 51 Ca -0.01 -3.25 -0.40 0.00 -0.53 0.00 0.00 54.58 50.39 1ap4 n ASN 51 Cb 0.64 0.48 -0.04 0.00 -2.08 0.00 0.00 39.78 38.78 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1ap4 s PRO 52 N -1.11 4.61 1.30 -0.53 0.04 -1.26 -5.03 135.00 133.02 1ap4 s PRO 52 Ca 0.32 1.84 -0.20 0.00 0.04 0.00 0.00 61.00 63.01 1ap4 s PRO 52 Cb 0.30 -3.18 0.32 0.00 0.04 0.00 0.00 34.50 31.98 1ap4 s PRO 52 CO -0.08 0.16 1.01 0.95 0.04 0.00 0.00 177.00 179.08 1ap4 s THR 53 N -1.09 1.48 0.17 1.26 -4.23 -1.26 -4.83 115.64 107.14 1ap4 s THR 53 Ca 0.45 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.90 1ap4 s THR 53 Cb -0.33 -2.24 -0.07 0.00 1.34 0.00 0.00 72.50 71.20 1ap4 s THR 53 CO 0.42 0.00 1.46 1.55 -0.54 0.00 0.00 174.62 177.51 1ap4 h PRO 54 N -2.97 0.65 0.00 3.99 0.13 -2.01 -2.98 132.00 128.80 1ap4 h PRO 54 Ca -0.47 -0.42 -0.12 0.00 -0.87 0.00 0.00 66.00 64.12 1ap4 h PRO 54 Cb 1.32 0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 1ap4 h PRO 54 CO 0.34 1.04 -0.55 0.93 -0.23 0.00 0.00 178.00 179.53 1ap4 h GLU 55 N 0.49 0.00 -0.20 0.86 5.08 -2.02 -3.12 114.58 115.67 1ap4 h GLU 55 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1ap4 h GLU 55 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1ap4 h GLU 55 CO 0.11 0.55 -0.37 0.93 -1.00 0.00 0.00 179.01 179.24 1ap4 h GLU 56 N 0.00 0.44 -0.00 2.33 5.08 -1.88 -2.22 114.58 118.33 1ap4 h GLU 56 Ca -0.01 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1ap4 h GLU 56 Cb 1.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1ap4 h GLU 56 CO 0.07 0.75 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.71 1ap4 h LEU 57 N 0.37 -0.17 -0.57 1.33 4.07 -1.46 0.86 115.31 119.75 1ap4 h LEU 57 Ca 0.04 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1ap4 h LEU 57 Cb 0.82 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.60 1ap4 h LEU 57 CO 0.07 -0.05 0.30 -0.61 -1.08 0.00 0.00 178.44 177.07 1ap4 h GLN 58 N -0.07 0.80 0.02 1.13 5.75 -1.71 -0.46 115.11 120.58 1ap4 h GLN 58 Ca 0.00 -0.10 0.03 0.00 -0.15 0.00 0.00 58.65 58.43 1ap4 h GLN 58 Cb 0.07 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.43 1ap4 h GLN 58 CO -0.04 0.62 -0.26 1.49 -2.65 0.00 0.00 178.83 178.00 1ap4 h GLU 59 N 0.77 -0.39 0.00 1.69 4.22 -1.08 0.90 114.58 120.69 1ap4 h GLU 59 Ca 0.20 0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.64 1ap4 h GLU 59 Cb 0.06 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ap4 h GLU 59 CO -0.03 -0.26 -0.11 1.98 -2.18 0.00 0.00 179.01 178.41 1ap4 h MET 60 N -0.41 0.00 -0.01 1.92 4.05 0.89 -2.03 114.93 119.34 1ap4 h MET 60 Ca 0.06 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1ap4 h MET 60 Cb 0.48 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 1ap4 h MET 60 CO -0.21 0.11 -0.31 -0.89 0.23 0.00 0.00 176.91 175.84 1ap4 n ILE 61 N -3.37 0.00 0.99 1.77 5.41 -0.19 -3.67 119.36 120.30 1ap4 n ILE 61 Ca -0.01 -0.18 0.11 0.00 1.00 0.00 0.00 62.75 63.67 1ap4 n ILE 61 Cb 0.30 0.69 0.12 0.00 -0.71 0.00 0.00 39.64 40.04 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 -0.38 0.67 -0.09 4.38 2.03 0.30 -3.75 116.55 119.72 1ap4 n ASP 62 Ca 0.12 -0.50 -0.17 0.00 0.52 0.00 0.00 54.79 54.76 1ap4 n ASP 62 Cb 0.39 0.52 -0.07 0.00 -0.72 0.00 0.00 41.12 41.24 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 -1.52 0.39 0.18 -0.67 -0.58 -1.21 -4.50 120.64 112.73 1ap4 n GLU 63 Ca 0.05 0.14 0.14 0.00 -0.42 0.00 0.00 57.16 57.07 1ap4 n GLU 63 Cb 0.34 -1.20 0.56 0.00 -0.57 0.00 0.00 31.44 30.57 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 -0.44 0.00 -2.60 2.62 3.04 -1.78 -3.42 116.25 113.68 1ap4 h VAL 64 Ca -0.43 -0.32 -0.56 0.00 -1.01 0.00 0.00 66.70 64.38 1ap4 h VAL 64 Cb 1.46 1.15 -0.03 0.00 -2.01 0.00 0.00 31.29 31.86 1ap4 h VAL 64 CO -0.21 0.00 1.27 -0.62 -1.01 0.00 0.00 177.57 177.00 1ap4 s ASP 65 N -4.74 5.82 -0.13 3.17 2.15 -1.25 -4.82 116.67 116.87 1ap4 s ASP 65 Ca 0.03 1.03 0.09 0.00 0.43 0.00 0.00 52.55 54.13 1ap4 s ASP 65 Cb 0.09 -2.53 -0.23 0.00 -0.30 0.00 0.00 42.92 39.95 1ap4 s ASP 65 CO 0.44 -1.82 0.32 -0.62 -0.17 0.00 0.00 175.17 173.33 1ap4 n GLU 66 N 8.54 0.68 0.03 4.34 1.02 -1.26 -4.01 120.64 129.97 1ap4 n GLU 66 Ca 0.22 0.19 0.09 0.00 -0.02 0.00 0.00 57.16 57.63 1ap4 n GLU 66 Cb 0.48 -1.66 0.38 0.00 -0.02 0.00 0.00 31.44 30.61 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 -3.08 0.15 -0.52 1.62 5.68 -1.26 -4.83 116.55 114.31 1ap4 n ASP 67 Ca -0.28 0.53 -0.07 0.00 -0.50 0.00 0.00 54.79 54.47 1ap4 n ASP 67 Cb 1.07 -0.57 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 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 0.17 0.72 0.12 6.12 0.00 -1.26 -4.82 105.19 106.25 1ap4 n GLY 68 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.00 1.61 4.64 -1.91 -3.47 113.55 114.42 1ap4 h SER 69 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1ap4 h SER 69 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1ap4 h SER 69 CO 0.20 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.43 1ap4 n GLY 70 N 0.96 3.37 3.93 -0.77 0.00 -1.26 -5.05 105.19 106.38 1ap4 n GLY 70 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.84 3.88 -0.38 2.61 -4.23 -1.26 -4.33 115.64 109.09 1ap4 s THR 71 Ca 0.00 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1ap4 s THR 71 Cb 0.00 -3.48 0.11 0.00 1.34 0.00 0.00 72.50 70.46 1ap4 s THR 71 CO 0.00 -0.42 0.14 -0.69 -0.54 0.00 0.00 174.62 173.11 1ap4 s VAL 72 N -2.77 2.85 0.62 2.29 1.01 -1.17 -4.96 120.40 118.26 1ap4 s VAL 72 Ca 0.51 -2.20 -0.02 0.00 0.00 0.00 0.00 61.98 60.27 1ap4 s VAL 72 Cb -0.10 -3.01 0.04 0.00 0.00 0.00 0.00 36.38 33.31 1ap4 s VAL 72 CO 0.42 -0.65 0.88 -0.62 0.00 0.00 0.00 175.10 175.12 1ap4 s ASP 73 N 1.40 5.08 0.57 3.32 2.15 -1.26 -3.24 116.67 124.69 1ap4 s ASP 73 Ca 0.10 0.19 0.39 0.00 0.43 0.00 0.00 52.55 53.65 1ap4 s ASP 73 Cb -0.21 -0.98 1.47 0.00 -0.30 0.00 0.00 42.92 42.91 1ap4 s ASP 73 CO -0.06 -1.33 1.62 0.15 -0.17 0.00 0.00 175.17 175.38 1ap4 h PHE 74 N -0.21 0.00 0.46 -5.34 3.57 -1.96 1.30 116.94 114.76 1ap4 h PHE 74 Ca -0.43 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 1ap4 h PHE 74 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1ap4 h PHE 74 CO 0.36 0.00 -0.22 -0.44 -2.23 0.00 0.00 178.31 175.77 1ap4 h ASP 75 N 0.00 -0.52 0.21 0.41 3.32 -2.01 -3.06 116.42 114.77 1ap4 h ASP 75 Ca 0.64 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 57.45 1ap4 h ASP 75 Cb 2.83 0.14 0.02 0.00 0.22 0.00 0.00 39.33 42.53 1ap4 h ASP 75 CO -0.01 -0.26 -1.08 -0.33 -1.72 0.00 0.00 179.24 175.85 1ap4 h GLU 76 N -0.86 0.54 -0.85 3.56 5.08 -1.43 -3.16 114.58 117.47 1ap4 h GLU 76 Ca -0.06 -0.64 0.22 0.00 -1.00 0.00 0.00 59.36 57.87 1ap4 h GLU 76 Cb 0.47 0.20 -0.15 0.00 0.50 0.00 0.00 28.75 29.77 1ap4 h GLU 76 CO 0.10 1.25 0.08 0.35 -1.00 0.00 0.00 179.01 179.80 1ap4 h PHE 77 N 0.28 0.08 0.11 4.33 3.57 0.15 0.77 116.94 126.23 1ap4 h PHE 77 Ca -0.13 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1ap4 h PHE 77 Cb 1.73 0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.58 1ap4 h PHE 77 CO 0.09 -0.28 -0.05 -0.07 -2.23 0.00 0.00 178.31 175.77 1ap4 h LEU 78 N 0.12 -0.13 -1.55 0.59 3.38 -1.59 -3.00 115.31 113.13 1ap4 h LEU 78 Ca 0.50 -0.39 0.31 0.00 0.09 0.00 0.00 57.88 58.39 1ap4 h LEU 78 Cb 0.97 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 1ap4 h LEU 78 CO -0.72 0.36 0.75 0.58 0.09 0.00 0.00 178.44 179.50 1ap4 h VAL 79 N -0.66 0.43 -0.25 1.22 2.07 -1.12 0.74 116.25 118.69 1ap4 h VAL 79 Ca -0.02 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 67.30 1ap4 h VAL 79 Cb 0.51 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1ap4 h VAL 79 CO 0.03 0.04 -0.35 -0.03 0.02 0.00 0.00 177.57 177.28 1ap4 h MET 80 N 0.24 0.55 0.12 1.57 4.05 -0.80 -2.64 114.93 118.02 1ap4 h MET 80 Ca 0.62 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.78 1ap4 h MET 80 Cb 1.88 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.67 1ap4 h MET 80 CO -0.23 0.82 -0.06 0.52 0.23 0.00 0.00 176.91 178.20 1ap4 h MET 81 N 0.46 -0.15 -0.34 0.39 2.07 0.56 -0.89 114.93 117.03 1ap4 h MET 81 Ca 0.05 0.01 0.10 0.00 -2.07 0.00 0.00 59.70 57.79 1ap4 h MET 81 Cb 0.82 0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.57 1ap4 h MET 81 CO 0.07 0.34 0.45 -0.24 1.07 0.00 0.00 176.91 178.59 1ap4 h VAL 82 N -0.81 0.29 0.00 -2.22 3.04 -1.21 1.61 116.25 116.95 1ap4 h VAL 82 Ca -0.02 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 65.41 1ap4 h VAL 82 Cb 0.56 0.63 -0.05 0.00 -2.01 0.00 0.00 31.29 30.42 1ap4 h VAL 82 CO 0.03 0.00 -1.72 0.54 -1.01 0.00 0.00 177.57 175.41 1ap4 n ARG 83 N -3.54 0.64 0.00 4.17 1.74 -0.99 -4.16 116.66 114.52 1ap4 n ARG 83 Ca 0.06 0.23 0.10 0.00 -0.77 0.00 0.00 57.85 57.46 1ap4 n ARG 83 Cb 0.60 -1.76 0.01 0.00 -1.02 0.00 0.00 32.46 30.29 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 0.11 1.06 -4.31 0.00 0.00 0.52 -4.90 117.12 109.59 1ap4 n MET 85 Ca 0.09 -0.72 -0.25 0.00 0.00 0.00 0.00 57.70 56.81 1ap4 n MET 85 Cb 0.43 -1.49 -0.09 0.00 0.00 0.00 0.00 33.22 32.08 1ap4 n MET 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1ap4 s LYS 86 N -2.44 2.10 -0.86 3.17 2.20 -1.26 -5.05 119.74 117.61 1ap4 s LYS 86 Ca 0.24 -1.37 -0.24 0.00 -0.36 0.00 0.00 55.97 54.24 1ap4 s LYS 86 Cb 0.19 -2.12 0.05 0.00 -1.51 0.00 0.00 37.83 34.44 1ap4 s LYS 86 CO 0.51 0.40 1.30 0.34 -0.36 0.00 0.00 175.35 177.55 1ap4 s ASP 87 N -3.18 6.34 -0.20 1.43 -1.08 -1.26 -4.77 116.67 113.95 1ap4 s ASP 87 Ca 0.28 -1.04 0.14 0.00 -0.52 0.00 0.00 52.55 51.41 1ap4 s ASP 87 Cb -0.08 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.29 1ap4 s ASP 87 CO 0.17 -1.60 1.19 -0.90 0.52 0.00 0.00 175.17 174.54 1ap4 n ASP 88 N 8.78 2.41 -0.69 -0.34 5.75 -1.26 -5.22 116.55 125.99 1ap4 n ASP 88 Ca 0.16 -3.25 0.09 0.00 -0.01 0.00 0.00 54.79 51.77 1ap4 n ASP 88 Cb 0.49 -0.43 0.07 0.00 -1.03 0.00 0.00 41.12 40.23 1ap4 n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85