#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 0.00 -0.83 6.12 8.00 -1.26 -4.96 116.55 123.61 1ap4 n ASP 2 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 1ap4 n ASP 2 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 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 0.00 -5.14 -0.01 -2.24 2.03 -1.26 -4.82 116.55 105.11 1ap4 n ASP 3 Ca 0.00 0.25 -0.10 0.00 0.52 0.00 0.00 54.79 55.46 1ap4 n ASP 3 Cb 0.00 -3.85 -0.09 0.00 -0.72 0.00 0.00 41.12 36.46 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1ap4 h ILE 4 N 0.00 1.12 -0.02 5.18 2.04 -2.00 -3.18 117.51 120.64 1ap4 h ILE 4 Ca -0.21 -1.56 -0.26 0.00 1.00 0.00 0.00 64.86 63.83 1ap4 h ILE 4 Cb 1.07 2.00 0.02 0.00 -0.74 0.00 0.00 36.82 39.17 1ap4 h ILE 4 CO 0.30 0.34 -1.00 1.88 0.00 0.00 0.00 178.15 179.67 1ap4 h TYR 5 N -0.90 1.00 -0.97 1.37 0.05 -2.01 -3.17 116.97 112.34 1ap4 h TYR 5 Ca -0.01 -0.53 0.24 0.00 0.05 0.00 0.00 58.73 58.48 1ap4 h TYR 5 Cb 0.62 -0.12 -0.07 0.00 1.01 0.00 0.00 36.73 38.16 1ap4 h TYR 5 CO 0.14 1.37 0.64 0.87 -1.05 0.00 0.00 178.16 180.13 1ap4 h LYS 6 N 0.40 0.35 0.00 4.88 1.57 -1.95 1.19 116.57 123.00 1ap4 h LYS 6 Ca -0.11 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1ap4 h LYS 6 Cb 1.65 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.88 1ap4 h LYS 6 CO 0.19 0.23 0.00 0.00 -0.57 0.00 0.00 179.45 179.31 1ap4 h ALA 7 N 1.60 1.00 0.10 3.86 0.00 -1.53 -2.98 119.26 121.31 1ap4 h ALA 7 Ca 0.52 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.16 1ap4 h ALA 7 Cb 1.38 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.19 1ap4 h ALA 7 CO -0.21 0.00 -1.17 0.00 0.00 0.00 0.00 179.25 177.88 1ap4 h ALA 8 N 2.22 0.13 0.00 0.00 0.00 0.14 -3.20 119.26 118.55 1ap4 h ALA 8 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 1ap4 h ALA 8 Cb 0.50 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ap4 h ALA 8 CO 0.00 0.82 -0.11 0.28 0.00 0.00 0.00 179.25 180.24 1ap4 h VAL 9 N 0.19 0.25 -0.00 0.00 2.07 -1.36 -2.68 116.25 114.71 1ap4 h VAL 9 Ca -0.14 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1ap4 h VAL 9 Cb 1.85 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 1ap4 h VAL 9 CO 0.21 0.11 -0.07 -0.62 0.02 0.00 0.00 177.57 177.21 1ap4 n GLU 10 N -3.21 0.50 0.18 1.57 4.71 -1.19 -3.36 120.64 119.85 1ap4 n GLU 10 Ca 0.01 -0.11 0.12 0.00 -0.01 0.00 0.00 57.16 57.18 1ap4 n GLU 10 Cb 0.42 -1.50 0.25 0.00 -1.01 0.00 0.00 31.44 29.60 1ap4 n GLU 10 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1ap4 h GLN 11 N 0.26 0.00 -7.23 3.49 4.20 -1.51 -3.46 115.11 110.86 1ap4 h GLN 11 Ca 0.00 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.26 1ap4 h GLN 11 Cb 0.34 0.00 0.19 0.00 0.30 0.00 0.00 27.48 28.31 1ap4 h GLN 11 CO 0.00 0.00 0.09 -0.51 -0.67 0.00 0.00 178.83 177.74 1ap4 s LEU 12 N -5.63 1.16 0.25 1.46 1.43 -1.21 -5.01 118.68 111.13 1ap4 s LEU 12 Ca 0.08 1.39 -0.05 0.00 -1.03 0.00 0.00 54.13 54.52 1ap4 s LEU 12 Cb 0.08 -3.42 -0.06 0.00 0.03 0.00 0.00 46.19 42.82 1ap4 s LEU 12 CO 0.65 -3.77 0.52 0.42 0.23 0.00 0.00 176.35 174.40 1ap4 s THR 13 N -2.67 5.04 0.14 5.49 -4.23 -1.26 -4.89 115.64 113.26 1ap4 s THR 13 Ca 0.67 0.10 -0.25 0.00 -1.18 0.00 0.00 61.69 61.02 1ap4 s THR 13 Cb -0.22 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 69.91 1ap4 s THR 13 CO 0.62 -0.22 1.61 -0.33 -0.54 0.00 0.00 174.62 175.76 1ap4 h GLU 14 N 2.02 -0.36 -0.60 3.99 3.07 -1.97 0.28 114.58 121.01 1ap4 h GLU 14 Ca -0.47 0.02 0.17 0.00 -0.50 0.00 0.00 59.36 58.58 1ap4 h GLU 14 Cb 1.18 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.15 1ap4 h GLU 14 CO 0.68 -0.24 0.49 1.05 -1.40 0.00 0.00 179.01 179.58 1ap4 h GLU 15 N -0.37 0.00 0.04 2.33 4.11 -1.99 0.13 114.58 118.84 1ap4 h GLU 15 Ca 0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.53 1ap4 h GLU 15 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ap4 h GLU 15 CO -0.36 0.00 -0.02 0.37 0.07 0.00 0.00 179.01 179.07 1ap4 h GLN 16 N 0.00 -0.05 -0.12 1.06 5.75 -0.94 -3.23 115.11 117.58 1ap4 h GLN 16 Ca 0.28 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.82 1ap4 h GLN 16 Cb 1.25 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.81 1ap4 h GLN 16 CO -0.00 0.42 0.09 0.87 -2.65 0.00 0.00 178.83 177.56 1ap4 h LYS 17 N -0.98 0.00 0.00 1.69 1.57 -0.24 0.60 116.57 119.22 1ap4 h LYS 17 Ca -0.01 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1ap4 h LYS 17 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1ap4 h LYS 17 CO 0.01 0.00 -0.12 -0.91 -0.57 0.00 0.00 179.45 177.86 1ap4 h ASN 18 N 0.00 0.00 0.00 0.86 4.21 -0.83 -3.01 115.58 116.82 1ap4 h ASN 18 Ca 0.06 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.57 1ap4 h ASN 18 Cb 0.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 1ap4 h ASN 18 CO -0.00 0.12 -0.00 -0.08 -1.29 0.00 0.00 177.43 176.18 1ap4 h GLU 19 N 0.00 -0.00 -0.83 0.81 4.57 -0.88 -3.23 114.58 115.01 1ap4 h GLU 19 Ca -0.00 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.33 1ap4 h GLU 19 Cb 0.42 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.95 1ap4 h GLU 19 CO 0.02 0.71 0.55 0.74 -1.18 0.00 0.00 179.01 179.84 1ap4 h PHE 20 N -0.71 0.66 -0.80 0.92 0.04 -1.51 -0.20 116.94 115.35 1ap4 h PHE 20 Ca -0.00 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.85 1ap4 h PHE 20 Cb 0.71 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.60 1ap4 h PHE 20 CO 0.18 0.24 0.52 -0.22 -0.60 0.00 0.00 178.31 178.43 1ap4 h LYS 21 N 0.56 0.83 0.31 1.51 3.64 -1.55 0.14 116.57 122.01 1ap4 h LYS 21 Ca 0.42 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 1ap4 h LYS 21 Cb 0.80 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1ap4 h LYS 21 CO -0.17 0.55 -0.15 0.00 -2.27 0.00 0.00 179.45 177.42 1ap4 h ALA 22 N 1.57 -0.41 -0.70 5.00 0.00 -1.10 -3.13 119.26 120.48 1ap4 h ALA 22 Ca 0.34 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1ap4 h ALA 22 Cb 0.24 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1ap4 h ALA 22 CO -0.12 -0.46 0.46 0.00 0.00 0.00 0.00 179.25 179.13 1ap4 h ALA 23 N -0.61 1.58 -0.50 0.00 0.00 -1.35 -2.36 119.26 116.02 1ap4 h ALA 23 Ca -0.04 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1ap4 h ALA 23 Cb 0.50 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1ap4 h ALA 23 CO 0.07 0.35 0.10 0.35 0.00 0.00 0.00 179.25 180.12 1ap4 h PHE 24 N 0.86 0.15 0.00 0.00 3.57 -0.76 0.26 116.94 121.03 1ap4 h PHE 24 Ca 0.28 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1ap4 h PHE 24 Cb 0.03 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1ap4 h PHE 24 CO -0.00 -0.01 0.00 -0.25 -2.23 0.00 0.00 178.31 175.82 1ap4 n ASP 25 N -5.12 0.06 0.06 0.41 8.00 -0.90 -2.73 116.55 116.33 1ap4 n ASP 25 Ca 0.05 0.51 -0.18 0.00 0.71 0.00 0.00 54.79 55.89 1ap4 n ASP 25 Cb 0.24 -0.53 -0.14 0.00 -0.02 0.00 0.00 41.12 40.68 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 1.05 0.00 0.53 2.04 -0.39 -3.31 117.51 117.44 1ap4 h ILE 26 Ca 0.00 -2.69 0.00 0.00 1.00 0.00 0.00 64.86 63.17 1ap4 h ILE 26 Cb 0.23 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.03 1ap4 h ILE 26 CO 0.00 0.81 0.00 -0.26 0.00 0.00 0.00 178.15 178.70 1ap4 h PHE 27 N 0.07 0.00 -0.56 1.37 0.04 -1.27 -2.99 116.94 113.60 1ap4 h PHE 27 Ca -0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1ap4 h PHE 27 Cb 2.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.19 1ap4 h PHE 27 CO 0.07 0.00 0.00 1.33 -0.60 0.00 0.00 178.31 179.11 1ap4 n VAL 28 N -2.96 2.50 -0.09 -0.55 0.24 -1.20 -4.48 118.33 111.80 1ap4 n VAL 28 Ca 0.02 -1.31 0.11 0.00 -2.04 0.00 0.00 64.34 61.13 1ap4 n VAL 28 Cb 0.40 -0.23 0.49 0.00 -1.47 0.00 0.00 33.84 33.03 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 3.85 0.39 -3.00 1.34 5.85 -1.61 -2.02 115.31 120.12 1ap4 h LEU 29 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1ap4 h LEU 29 Cb 1.84 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.80 1ap4 h LEU 29 CO 0.43 0.24 0.00 0.61 -0.34 0.00 0.00 178.44 179.38 1ap4 n GLY 30 N -1.51 3.53 0.39 3.75 0.00 -1.26 -5.04 105.19 105.05 1ap4 n GLY 30 Ca 0.10 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.62 -0.62 -0.01 4.61 0.00 -0.76 -4.98 120.51 118.13 1ap4 n ALA 31 Ca 0.07 -0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.36 1ap4 n ALA 31 Cb 0.41 -0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.41 0.67 -0.05 0.00 -0.58 -1.26 -4.72 120.64 112.29 1ap4 n GLU 32 Ca 0.02 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1ap4 n GLU 32 Cb 0.07 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 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 -1.96 0.00 -0.16 1.62 5.75 -1.26 -5.00 116.55 115.54 1ap4 n ASP 33 Ca -0.04 -1.07 0.00 0.00 -0.01 0.00 0.00 54.79 53.66 1ap4 n ASP 33 Cb 0.38 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 0.00 1.06 3.57 6.12 0.00 -1.26 -5.10 105.19 109.58 1ap4 n GLY 34 Ca 0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.81 4.13 -1.48 0.00 5.41 -0.63 -4.28 119.36 121.70 1ap4 n ILE 36 Ca -0.05 -5.58 -0.39 0.00 1.00 0.00 0.00 62.75 57.73 1ap4 n ILE 36 Cb 0.61 -2.17 0.03 0.00 -0.71 0.00 0.00 39.64 37.40 1ap4 n ILE 36 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1ap4 n SER 37 N 1.45 -0.87 -0.09 4.38 3.41 -1.26 -3.26 113.62 117.38 1ap4 n SER 37 Ca 0.26 0.77 0.20 0.00 -0.26 0.00 0.00 58.87 59.84 1ap4 n SER 37 Cb 0.36 -1.18 0.63 0.00 -0.26 0.00 0.00 64.21 63.76 1ap4 n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ap4 h THR 38 N 0.35 0.73 -0.94 6.66 1.03 -1.95 -0.57 112.91 118.22 1ap4 h THR 38 Ca -0.45 -0.05 0.13 0.00 -0.01 0.00 0.00 66.41 66.03 1ap4 h THR 38 Cb 1.40 0.56 -0.09 0.00 -1.07 0.00 0.00 68.15 68.94 1ap4 h THR 38 CO 0.48 0.03 0.56 0.50 -0.01 0.00 0.00 175.52 177.08 1ap4 h LYS 39 N 0.16 0.81 -1.34 0.00 1.63 -1.94 -1.23 116.57 114.65 1ap4 h LYS 39 Ca 0.33 -0.05 -0.70 0.00 -0.85 0.00 0.00 60.65 59.38 1ap4 h LYS 39 Cb 1.06 -0.18 -0.30 0.00 -0.60 0.00 0.00 32.23 32.21 1ap4 h LYS 39 CO -0.05 0.54 0.75 -1.91 -3.45 0.00 0.00 179.45 175.33 1ap4 n GLU 40 N -4.72 2.81 0.00 1.90 4.07 -0.22 -4.39 120.64 120.08 1ap4 n GLU 40 Ca 0.18 -3.48 0.00 0.00 -0.06 0.00 0.00 57.16 53.80 1ap4 n GLU 40 Cb 0.40 -2.28 0.00 0.00 -0.06 0.00 0.00 31.44 29.50 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 -0.76 1.91 0.10 4.31 4.77 -0.47 -4.43 117.00 122.44 1ap4 n LEU 41 Ca 0.58 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.44 1ap4 n LEU 41 Cb 0.54 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1ap4 n LEU 41 CO 0.65 0.32 0.51 1.23 -1.33 0.00 0.00 177.39 178.77 1ap4 h GLY 42 N 0.00 -1.17 1.95 -0.72 0.00 -1.77 0.69 103.07 102.04 1ap4 h GLY 42 Ca 0.00 0.60 0.01 0.00 0.00 0.00 0.00 47.33 47.93 1ap4 h GLY 42 CO 0.00 -0.33 0.02 0.50 0.00 0.00 0.00 176.54 176.73 1ap4 h LYS 43 N -0.56 0.00 0.18 4.80 1.57 -1.87 -2.33 116.57 118.36 1ap4 h LYS 43 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1ap4 h LYS 43 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1ap4 h LYS 43 CO -0.18 0.00 -0.09 0.28 -0.57 0.00 0.00 179.45 178.89 1ap4 h VAL 44 N 0.00 0.92 -0.35 0.50 2.07 -1.12 -2.93 116.25 115.33 1ap4 h VAL 44 Ca 0.01 -0.92 0.10 0.00 0.82 0.00 0.00 66.70 66.71 1ap4 h VAL 44 Cb 0.05 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1ap4 h VAL 44 CO -0.00 0.20 0.28 0.24 0.02 0.00 0.00 177.57 178.30 1ap4 h MET 45 N -0.72 0.00 -0.14 1.57 2.86 0.72 0.62 114.93 119.84 1ap4 h MET 45 Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1ap4 h MET 45 Cb 0.50 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1ap4 h MET 45 CO 0.04 0.00 0.06 0.00 1.06 0.00 0.00 176.91 178.07 1ap4 h ARG 46 N 0.00 0.20 0.00 1.72 3.08 -1.26 1.89 114.38 120.02 1ap4 h ARG 46 Ca 0.17 -0.03 -0.24 0.00 0.07 0.00 0.00 59.98 59.95 1ap4 h ARG 46 Cb 0.72 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 1ap4 h ARG 46 CO -0.00 0.28 -1.24 0.00 -1.07 0.00 0.00 179.97 177.93 1ap4 h MET 47 N 0.08 0.01 -0.02 0.04 -0.00 -1.10 -3.28 114.93 110.66 1ap4 h MET 47 Ca 0.05 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.70 59.71 1ap4 h MET 47 Cb 0.15 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.75 1ap4 h MET 47 CO -0.00 0.84 -0.09 -0.07 -0.00 0.00 0.00 176.91 177.58 1ap4 h LEU 48 N 0.00 0.02 0.00 -0.10 3.38 0.28 -3.45 115.31 115.45 1ap4 h LEU 48 Ca -0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ap4 h LEU 48 Cb 1.86 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1ap4 h LEU 48 CO 0.11 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.38 1ap4 n GLY 49 N -1.23 1.16 3.53 0.83 0.00 -0.70 -5.05 105.19 103.73 1ap4 n GLY 49 Ca -0.02 0.00 -0.26 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 1.96 -0.39 1.61 1.11 0.63 -5.00 119.66 119.58 1ap4 s GLN 50 Ca 0.00 -2.20 0.11 0.00 0.01 0.00 0.00 55.36 53.28 1ap4 s GLN 50 Cb 0.00 -0.67 0.38 0.00 -1.01 0.00 0.00 33.01 31.71 1ap4 s GLN 50 CO 0.00 -0.48 1.04 -1.71 0.01 0.00 0.00 175.29 174.15 1ap4 n ASN 51 N -1.33 -0.55 -4.78 5.90 5.15 -1.26 -3.29 115.26 115.11 1ap4 n ASN 51 Ca -0.07 -2.99 -0.29 0.00 -0.60 0.00 0.00 54.58 50.62 1ap4 n ASN 51 Cb 0.65 0.49 0.12 0.00 -0.53 0.00 0.00 39.78 40.50 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 -1.23 1.57 0.51 1.20 0.04 -1.26 -5.07 135.00 130.76 1ap4 s PRO 52 Ca 0.28 0.57 0.06 0.00 0.04 0.00 0.00 61.00 61.94 1ap4 s PRO 52 Cb 0.37 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 33.09 1ap4 s PRO 52 CO -0.05 -1.96 0.70 0.95 0.04 0.00 0.00 177.00 176.68 1ap4 s THR 53 N -3.14 2.67 0.22 1.26 -4.23 -1.26 -4.93 115.64 106.22 1ap4 s THR 53 Ca 0.62 -0.89 0.07 0.00 -1.18 0.00 0.00 61.69 60.31 1ap4 s THR 53 Cb -0.15 -2.78 -0.09 0.00 1.34 0.00 0.00 72.50 70.82 1ap4 s THR 53 CO 0.55 0.00 1.50 1.55 -0.54 0.00 0.00 174.62 177.67 1ap4 h PRO 54 N 0.31 0.09 0.00 3.99 0.13 -2.00 -0.89 132.00 133.63 1ap4 h PRO 54 Ca -0.38 -0.08 -0.19 0.00 -0.87 0.00 0.00 66.00 64.48 1ap4 h PRO 54 Cb 1.28 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1ap4 h PRO 54 CO 0.45 0.78 -0.99 1.49 -0.23 0.00 0.00 178.00 179.51 1ap4 h GLU 55 N 0.06 0.00 0.17 0.86 4.81 -2.02 -3.34 114.58 115.12 1ap4 h GLU 55 Ca -0.02 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.88 1ap4 h GLU 55 Cb 1.29 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.68 1ap4 h GLU 55 CO 0.10 0.76 -1.65 0.93 -0.73 0.00 0.00 179.01 178.42 1ap4 h GLU 56 N 0.00 0.36 -0.19 1.92 4.39 -1.95 -3.31 114.58 115.80 1ap4 h GLU 56 Ca -0.05 -0.61 0.02 0.00 0.34 0.00 0.00 59.36 59.05 1ap4 h GLU 56 Cb 1.69 0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 30.53 1ap4 h GLU 56 CO 0.10 1.26 -0.25 1.25 -1.16 0.00 0.00 179.01 180.21 1ap4 h LEU 57 N 0.10 -0.83 -1.11 1.33 5.85 -1.28 1.18 115.31 120.55 1ap4 h LEU 57 Ca -0.30 0.11 0.20 0.00 0.84 0.00 0.00 57.88 58.72 1ap4 h LEU 57 Cb 2.08 0.34 -0.10 0.00 0.37 0.00 0.00 40.66 43.35 1ap4 h LEU 57 CO 0.18 -0.17 0.61 -0.61 -0.34 0.00 0.00 178.44 178.11 1ap4 h GLN 58 N -0.17 0.67 -0.29 1.25 -0.00 -1.75 0.01 115.11 114.83 1ap4 h GLN 58 Ca 0.03 -0.04 -0.17 0.00 -0.00 0.00 0.00 58.65 58.47 1ap4 h GLN 58 Cb 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 27.48 27.58 1ap4 h GLN 58 CO -0.27 0.45 -0.49 1.49 0.00 0.00 0.00 178.83 180.01 1ap4 h GLU 59 N 0.69 0.81 0.00 1.69 4.57 -0.98 -2.15 114.58 119.21 1ap4 h GLU 59 Ca 0.56 -0.47 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1ap4 h GLU 59 Cb 0.97 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.60 1ap4 h GLU 59 CO -0.34 1.11 -0.02 1.98 -1.18 0.00 0.00 179.01 180.55 1ap4 h MET 60 N 0.64 0.00 0.08 1.92 4.05 0.33 -2.27 114.93 119.67 1ap4 h MET 60 Ca 0.03 0.00 -0.33 0.00 -0.28 0.00 0.00 59.70 59.12 1ap4 h MET 60 Cb 1.07 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.84 1ap4 h MET 60 CO 0.11 0.02 -1.82 0.82 0.23 0.00 0.00 176.91 176.27 1ap4 h ILE 61 N 0.00 0.79 0.00 1.77 2.04 -1.21 -3.31 117.51 117.59 1ap4 h ILE 61 Ca -0.00 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.31 1ap4 h ILE 61 Cb 0.06 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1ap4 h ILE 61 CO 0.00 0.74 0.00 -0.67 0.00 0.00 0.00 178.15 178.22 1ap4 n ASP 62 N -3.32 0.00 0.02 1.72 2.03 -0.83 -0.05 116.55 116.11 1ap4 n ASP 62 Ca -0.24 0.25 0.07 0.00 0.52 0.00 0.00 54.79 55.38 1ap4 n ASP 62 Cb 1.05 -0.36 -0.11 0.00 -0.72 0.00 0.00 41.12 40.99 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 -1.36 0.64 -0.00 -0.67 4.07 -1.05 -4.38 120.64 117.89 1ap4 n GLU 63 Ca 0.05 -0.01 0.05 0.00 -0.06 0.00 0.00 57.16 57.18 1ap4 n GLU 63 Cb 0.11 -1.66 -0.07 0.00 -0.06 0.00 0.00 31.44 29.76 1ap4 n GLU 63 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 1ap4 n VAL 64 N -2.55 0.00 -1.87 6.31 3.14 -0.78 -4.92 118.33 117.66 1ap4 n VAL 64 Ca -0.08 -0.21 -0.39 0.00 -2.96 0.00 0.00 64.34 60.71 1ap4 n VAL 64 Cb 0.69 0.31 -0.03 0.00 -1.06 0.00 0.00 33.84 33.74 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 -3.03 5.13 -0.59 6.55 2.15 0.93 -4.82 116.67 122.98 1ap4 s ASP 65 Ca -0.03 0.77 -0.01 0.00 0.43 0.00 0.00 52.55 53.71 1ap4 s ASP 65 Cb 0.06 -2.52 0.44 0.00 -0.30 0.00 0.00 42.92 40.60 1ap4 s ASP 65 CO 0.38 -2.41 2.01 -0.62 -0.17 0.00 0.00 175.17 174.37 1ap4 n GLU 66 N 9.00 2.50 0.00 4.34 4.71 -1.26 -4.36 120.64 135.57 1ap4 n GLU 66 Ca 0.26 -2.98 0.00 0.00 -0.01 0.00 0.00 57.16 54.43 1ap4 n GLU 66 Cb 0.52 -2.17 0.00 0.00 -1.01 0.00 0.00 31.44 28.78 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1ap4 n ASP 67 N -0.75 0.22 0.00 1.62 5.68 -1.26 -5.06 116.55 116.99 1ap4 n ASP 67 Ca 0.57 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.86 1ap4 n ASP 67 Cb 0.76 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 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 1.71 1.93 0.12 6.12 0.00 -1.26 -5.03 105.19 108.78 1ap4 n GLY 68 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 1.63 0.00 1.61 3.41 -1.26 -4.99 113.62 114.02 1ap4 n SER 69 Ca 0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1ap4 n SER 69 Cb 0.00 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 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 2.19 3.30 3.88 5.00 0.00 -1.26 -5.03 105.19 113.27 1ap4 n GLY 70 Ca -0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.28 4.88 -0.15 2.61 -4.23 -1.26 -4.19 115.64 111.01 1ap4 s THR 71 Ca 0.00 0.46 -0.05 0.00 -1.18 0.00 0.00 61.69 60.92 1ap4 s THR 71 Cb 0.00 -3.69 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 1ap4 s THR 71 CO 0.00 -0.31 0.01 -0.69 -0.54 0.00 0.00 174.62 173.09 1ap4 s VAL 72 N -2.10 4.35 0.45 2.29 1.01 -1.20 -4.94 120.40 120.25 1ap4 s VAL 72 Ca 0.49 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.32 1ap4 s VAL 72 Cb -0.11 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1ap4 s VAL 72 CO 0.27 0.50 0.11 1.51 0.00 0.00 0.00 175.10 177.49 1ap4 s ASP 73 N 0.11 4.21 0.55 3.32 1.47 -1.26 -1.61 116.67 123.45 1ap4 s ASP 73 Ca 0.02 -1.33 0.36 0.00 1.18 0.00 0.00 52.55 52.79 1ap4 s ASP 73 Cb -0.13 -0.11 1.53 0.00 -0.34 0.00 0.00 42.92 43.87 1ap4 s ASP 73 CO 0.02 -0.65 1.78 0.15 0.68 0.00 0.00 175.17 177.14 1ap4 h PHE 74 N 1.44 0.00 0.05 2.11 3.57 -1.97 1.77 116.94 123.90 1ap4 h PHE 74 Ca -0.43 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.07 1ap4 h PHE 74 Cb 1.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1ap4 h PHE 74 CO 0.92 0.00 -0.02 0.22 -2.23 0.00 0.00 178.31 177.19 1ap4 h ASP 75 N 0.00 -0.06 0.26 0.41 3.58 -2.01 -3.24 116.42 115.37 1ap4 h ASP 75 Ca 0.55 -0.60 -0.28 0.00 0.42 0.00 0.00 57.03 57.11 1ap4 h ASP 75 Cb 2.27 0.01 0.02 0.00 1.72 0.00 0.00 39.33 43.35 1ap4 h ASP 75 CO -0.01 0.67 -1.20 -0.33 -2.88 0.00 0.00 179.24 175.49 1ap4 h GLU 76 N -0.87 0.52 -0.62 0.28 5.08 -1.50 -3.04 114.58 114.42 1ap4 h GLU 76 Ca -0.01 -0.70 0.12 0.00 -1.00 0.00 0.00 59.36 57.78 1ap4 h GLU 76 Cb 0.66 0.23 -0.12 0.00 0.50 0.00 0.00 28.75 30.02 1ap4 h GLU 76 CO 0.01 1.30 -0.17 0.35 -1.00 0.00 0.00 179.01 179.50 1ap4 h PHE 77 N 0.23 -0.38 -0.09 4.33 3.57 0.25 0.53 116.94 125.38 1ap4 h PHE 77 Ca -0.16 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.37 1ap4 h PHE 77 Cb 1.87 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 40.87 1ap4 h PHE 77 CO 0.10 -0.28 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.78 1ap4 h LEU 78 N -0.02 0.19 -1.98 0.59 3.38 -1.64 -2.75 115.31 113.08 1ap4 h LEU 78 Ca 0.30 -0.42 0.23 0.00 0.09 0.00 0.00 57.88 58.08 1ap4 h LEU 78 Cb 0.47 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1ap4 h LEU 78 CO -0.65 0.57 0.60 0.58 0.09 0.00 0.00 178.44 179.63 1ap4 h VAL 79 N -0.19 0.53 -0.02 1.22 2.07 -1.15 -0.09 116.25 118.62 1ap4 h VAL 79 Ca 0.02 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 1ap4 h VAL 79 Cb 0.50 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1ap4 h VAL 79 CO 0.01 0.00 -0.28 -0.03 0.02 0.00 0.00 177.57 177.29 1ap4 h MET 80 N 0.00 0.23 0.45 1.57 4.05 -0.66 -2.92 114.93 117.64 1ap4 h MET 80 Ca 0.38 -0.22 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1ap4 h MET 80 Cb 1.58 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.44 1ap4 h MET 80 CO -0.00 0.91 -0.21 0.52 0.23 0.00 0.00 176.91 178.35 1ap4 h MET 81 N -0.37 -0.58 -0.45 0.39 2.07 -0.82 -1.93 114.93 113.24 1ap4 h MET 81 Ca -0.03 0.04 0.13 0.00 -2.07 0.00 0.00 59.70 57.77 1ap4 h MET 81 Cb 0.99 0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 30.84 1ap4 h MET 81 CO 0.06 -0.31 0.52 -0.24 1.07 0.00 0.00 176.91 178.01 1ap4 h VAL 82 N -0.77 0.31 0.06 -2.22 3.04 -1.29 0.40 116.25 115.78 1ap4 h VAL 82 Ca -0.06 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.44 1ap4 h VAL 82 Cb 0.54 0.58 0.02 0.00 -2.01 0.00 0.00 31.29 30.41 1ap4 h VAL 82 CO 0.10 0.00 -0.79 0.03 -1.01 0.00 0.00 177.57 175.90 1ap4 h ARG 83 N 0.00 0.42 -0.46 4.17 3.08 -1.19 -3.22 114.38 117.18 1ap4 h ARG 83 Ca 0.21 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.72 1ap4 h ARG 83 Cb 1.25 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.48 1ap4 h ARG 83 CO -0.00 1.20 0.00 0.00 -1.07 0.00 0.00 179.97 180.10 1ap4 n MET 85 N 0.85 0.51 -3.88 0.00 2.81 0.12 -5.05 117.12 112.48 1ap4 n MET 85 Ca 0.16 0.32 -0.10 0.00 -1.81 0.00 0.00 57.70 56.27 1ap4 n MET 85 Cb 0.39 -1.52 -0.09 0.00 -0.71 0.00 0.00 33.22 31.29 1ap4 n MET 85 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1ap4 s LYS 86 N -2.67 0.66 0.00 0.03 2.20 -1.22 -5.09 119.74 113.66 1ap4 s LYS 86 Ca -0.26 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 54.66 1ap4 s LYS 86 Cb 0.04 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 1ap4 s LYS 86 CO 0.38 -0.18 0.00 -3.47 -0.36 0.00 0.00 175.35 171.72 1ap4 n ASP 87 N 0.68 0.00 -0.02 1.43 2.03 -1.26 -4.70 116.55 114.71 1ap4 n ASP 87 Ca -0.19 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.01 1ap4 n ASP 87 Cb 0.59 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.92 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1ap4 h ASP 88 N 0.00 0.13 -0.01 1.67 3.58 -1.99 -3.55 116.42 116.24 1ap4 h ASP 88 Ca 0.00 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1ap4 h ASP 88 Cb 0.00 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1ap4 h ASP 88 CO 0.00 0.30 0.00 -1.20 -2.88 0.00 0.00 179.24 175.46