#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 -4.21 -1.31 7.83 9.92 -1.26 -4.77 116.55 122.75 1ap4 n ASP 2 Ca 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.10 1ap4 n ASP 2 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 1ap4 n ASP 2 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1ap4 n ASP 3 N -3.21 -4.98 0.08 -2.24 9.92 -1.26 -4.80 116.55 110.06 1ap4 n ASP 3 Ca 0.00 0.39 -0.02 0.00 -0.53 0.00 0.00 54.79 54.63 1ap4 n ASP 3 Cb 0.00 -4.21 -0.05 0.00 -0.64 0.00 0.00 41.12 36.22 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 1.09 -0.00 0.53 2.04 -2.03 -3.30 117.51 115.83 1ap4 h ILE 4 Ca -0.32 -2.62 -0.15 0.00 1.00 0.00 0.00 64.86 62.77 1ap4 h ILE 4 Cb 1.17 2.50 -0.02 0.00 -0.74 0.00 0.00 36.82 39.73 1ap4 h ILE 4 CO 0.47 0.62 -0.69 1.88 0.00 0.00 0.00 178.15 180.43 1ap4 h TYR 5 N 0.00 0.02 0.00 1.37 -1.99 -2.01 -2.93 116.97 111.43 1ap4 h TYR 5 Ca -0.05 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1ap4 h TYR 5 Cb 1.59 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.32 1ap4 h TYR 5 CO 0.00 0.70 0.00 0.36 -0.00 0.00 0.00 178.16 179.22 1ap4 n LYS 6 N -3.72 0.13 0.02 4.88 2.85 -1.24 -1.39 118.16 119.68 1ap4 n LYS 6 Ca -0.01 0.58 -0.11 0.00 -1.05 0.00 0.00 58.31 57.72 1ap4 n LYS 6 Cb 0.68 -1.88 -0.13 0.00 -0.65 0.00 0.00 35.03 33.04 1ap4 n LYS 6 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ap4 h ALA 7 N 2.05 0.53 0.00 0.58 0.00 -1.70 -3.16 119.26 117.56 1ap4 h ALA 7 Ca 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 54.91 53.58 1ap4 h ALA 7 Cb 0.06 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ap4 h ALA 7 CO 0.00 1.38 -0.49 0.00 0.00 0.00 0.00 179.25 180.14 1ap4 h ALA 8 N 0.84 1.11 0.13 0.00 0.00 -1.34 -1.66 119.26 118.35 1ap4 h ALA 8 Ca -0.20 -0.44 -0.28 0.00 0.00 0.00 0.00 54.91 53.99 1ap4 h ALA 8 Cb 1.95 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.66 1ap4 h ALA 8 CO 0.11 0.61 -1.24 0.28 0.00 0.00 0.00 179.25 179.01 1ap4 h VAL 9 N 0.00 1.48 0.00 0.00 2.07 -1.64 -3.27 116.25 114.89 1ap4 h VAL 9 Ca -0.00 -3.01 -0.08 0.00 0.82 0.00 0.00 66.70 64.42 1ap4 h VAL 9 Cb 0.91 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 1ap4 h VAL 9 CO 0.06 0.88 -0.39 -0.08 0.02 0.00 0.00 177.57 178.06 1ap4 h GLU 10 N 0.09 0.00 0.00 1.57 4.81 -1.50 -3.13 114.58 116.42 1ap4 h GLU 10 Ca -0.14 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1ap4 h GLU 10 Cb 1.96 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.34 1ap4 h GLU 10 CO 0.21 0.39 -0.01 1.96 -0.73 0.00 0.00 179.01 180.83 1ap4 h GLN 11 N 0.00 0.00 -6.84 1.92 7.50 -1.35 -3.43 115.11 112.91 1ap4 h GLN 11 Ca -0.00 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.60 1ap4 h GLN 11 Cb 1.19 0.00 0.10 0.00 0.05 0.00 0.00 27.48 28.82 1ap4 h GLN 11 CO 0.05 0.01 0.75 1.28 -1.50 0.00 0.00 178.83 179.42 1ap4 n LEU 12 N -3.44 4.34 -4.75 1.46 4.77 -1.19 -4.92 117.00 113.27 1ap4 n LEU 12 Ca -0.03 1.19 -0.37 0.00 -0.03 0.00 0.00 56.01 56.77 1ap4 n LEU 12 Cb 0.09 -1.58 0.04 0.00 -2.33 0.00 0.00 43.42 39.64 1ap4 n LEU 12 CO 0.24 0.01 0.93 0.42 -1.33 0.00 0.00 177.39 177.66 1ap4 s THR 13 N -0.69 2.26 0.22 -5.08 -4.23 -1.26 -4.82 115.64 102.04 1ap4 s THR 13 Ca 0.58 0.18 -0.08 0.00 -1.18 0.00 0.00 61.69 61.19 1ap4 s THR 13 Cb -0.51 -3.08 0.16 0.00 1.34 0.00 0.00 72.50 70.41 1ap4 s THR 13 CO 0.58 -0.02 1.79 -0.33 -0.54 0.00 0.00 174.62 176.10 1ap4 h GLU 14 N 1.19 0.60 0.00 3.99 5.08 -1.92 0.21 114.58 123.74 1ap4 h GLU 14 Ca -0.51 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1ap4 h GLU 14 Cb 1.30 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ap4 h GLU 14 CO 0.56 0.40 0.02 1.05 -1.00 0.00 0.00 179.01 180.04 1ap4 h GLU 15 N 0.62 0.00 0.00 2.33 9.09 -2.00 -1.99 114.58 122.63 1ap4 h GLU 15 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.74 1ap4 h GLU 15 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.41 1ap4 h GLU 15 CO -0.24 0.00 -0.04 0.37 0.05 0.00 0.00 179.01 179.15 1ap4 h GLN 16 N 0.00 0.00 -0.70 1.06 4.15 -0.92 -3.33 115.11 115.37 1ap4 h GLN 16 Ca 0.00 0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.62 1ap4 h GLN 16 Cb 0.04 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 1ap4 h GLN 16 CO 0.00 0.00 0.53 0.87 -1.93 0.00 0.00 178.83 178.30 1ap4 h LYS 17 N -0.50 0.00 -0.19 1.69 1.57 -1.42 0.27 116.57 117.99 1ap4 h LYS 17 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1ap4 h LYS 17 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1ap4 h LYS 17 CO 0.00 0.00 0.13 -0.91 -0.57 0.00 0.00 179.45 178.10 1ap4 h ASN 18 N 0.00 0.09 0.79 0.86 2.35 -1.48 -1.38 115.58 116.82 1ap4 h ASN 18 Ca 0.33 -0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.84 1ap4 h ASN 18 Cb 1.40 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.72 1ap4 h ASN 18 CO -0.00 0.06 -1.22 -0.33 -1.65 0.00 0.00 177.43 174.28 1ap4 h GLU 19 N 0.10 0.07 0.00 0.81 5.08 -0.56 -3.28 114.58 116.80 1ap4 h GLU 19 Ca 0.08 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1ap4 h GLU 19 Cb 0.20 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1ap4 h GLU 19 CO -0.01 0.95 -0.39 0.74 -1.00 0.00 0.00 179.01 179.30 1ap4 h PHE 20 N 0.02 0.00 0.42 4.33 -1.00 -1.15 -3.19 116.94 116.37 1ap4 h PHE 20 Ca -0.10 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.66 1ap4 h PHE 20 Cb 1.87 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.43 1ap4 h PHE 20 CO 0.02 0.39 -0.21 -0.22 -1.61 0.00 0.00 178.31 176.68 1ap4 h LYS 21 N 0.00 -0.55 -0.36 1.51 3.64 -1.44 -0.55 116.57 118.82 1ap4 h LYS 21 Ca -0.00 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.49 1ap4 h LYS 21 Cb 0.77 0.13 -0.08 0.00 -0.41 0.00 0.00 32.23 32.64 1ap4 h LYS 21 CO 0.05 -0.37 -0.19 0.00 -2.27 0.00 0.00 179.45 176.67 1ap4 h ALA 22 N 0.01 0.08 -0.21 5.00 0.00 -1.69 -1.72 119.26 120.72 1ap4 h ALA 22 Ca -0.05 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ap4 h ALA 22 Cb 0.45 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1ap4 h ALA 22 CO 0.09 -0.56 0.04 0.00 0.00 0.00 0.00 179.25 178.81 1ap4 h ALA 23 N 1.11 0.21 -0.93 0.00 0.00 -1.55 -2.22 119.26 115.89 1ap4 h ALA 23 Ca 0.18 0.04 0.27 0.00 0.00 0.00 0.00 54.91 55.40 1ap4 h ALA 23 Cb 0.41 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.09 1ap4 h ALA 23 CO -0.44 -0.39 0.25 0.35 0.00 0.00 0.00 179.25 179.02 1ap4 h PHE 24 N 0.12 0.36 0.00 0.00 3.57 -0.17 2.14 116.94 122.96 1ap4 h PHE 24 Ca 0.10 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1ap4 h PHE 24 Cb 0.09 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1ap4 h PHE 24 CO -0.15 -0.29 0.00 -0.25 -2.23 0.00 0.00 178.31 175.39 1ap4 n ASP 25 N -5.28 0.00 0.11 0.41 8.00 -0.84 -2.94 116.55 116.02 1ap4 n ASP 25 Ca 0.24 0.48 -0.22 0.00 0.71 0.00 0.00 54.79 56.01 1ap4 n ASP 25 Cb 0.79 -0.49 -0.14 0.00 -0.02 0.00 0.00 41.12 41.26 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 1.31 0.08 0.53 1.08 0.36 -3.12 117.51 117.75 1ap4 h ILE 26 Ca 0.00 -2.62 -0.27 0.00 -0.39 0.00 0.00 64.86 61.59 1ap4 h ILE 26 Cb 0.27 2.84 0.01 0.00 -3.07 0.00 0.00 36.82 36.87 1ap4 h ILE 26 CO 0.00 0.79 -1.14 -0.26 -0.69 0.00 0.00 178.15 176.85 1ap4 h PHE 27 N 0.21 0.71 0.00 1.37 0.04 -1.45 -3.11 116.94 114.70 1ap4 h PHE 27 Ca -0.20 -0.44 0.00 0.00 2.80 0.00 0.00 57.97 60.12 1ap4 h PHE 27 Cb 2.00 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 40.10 1ap4 h PHE 27 CO 0.11 1.30 0.00 1.33 -0.60 0.00 0.00 178.31 180.45 1ap4 n VAL 28 N -3.70 0.16 -0.42 -0.55 0.24 -1.18 -3.71 118.33 109.18 1ap4 n VAL 28 Ca -0.10 0.04 0.34 0.00 -2.04 0.00 0.00 64.34 62.58 1ap4 n VAL 28 Cb 0.94 -0.69 0.63 0.00 -1.47 0.00 0.00 33.84 33.26 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 0.00 0.25 -0.01 1.34 5.85 -1.47 0.80 115.31 122.07 1ap4 h LEU 29 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1ap4 h LEU 29 Cb 0.09 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1ap4 h LEU 29 CO 0.00 -0.08 -0.83 0.61 -0.34 0.00 0.00 178.44 177.81 1ap4 n GLY 30 N -1.56 -0.66 2.61 3.75 0.00 -1.24 -4.98 105.19 103.11 1ap4 n GLY 30 Ca 0.33 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.40 -3.89 -0.05 4.61 0.00 0.28 -5.01 120.51 115.04 1ap4 n ALA 31 Ca 0.03 -1.25 -0.10 0.00 0.00 0.00 0.00 53.44 52.12 1ap4 n ALA 31 Cb 0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 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 -4.87 0.20 0.08 0.00 1.02 -1.26 -4.72 120.64 111.08 1ap4 n GLU 32 Ca 0.11 0.08 0.11 0.00 -0.02 0.00 0.00 57.16 57.44 1ap4 n GLU 32 Cb 0.48 -0.87 -0.04 0.00 -0.02 0.00 0.00 31.44 31.00 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ap4 n ASP 33 N -3.36 0.70 0.00 1.62 5.75 -1.26 -4.98 116.55 115.02 1ap4 n ASP 33 Ca -0.18 0.27 0.00 0.00 -0.01 0.00 0.00 54.79 54.87 1ap4 n ASP 33 Cb 0.64 0.70 0.00 0.00 -1.03 0.00 0.00 41.12 41.43 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 1.21 0.66 3.22 6.12 0.00 -1.26 -5.16 105.19 109.98 1ap4 n GLY 34 Ca -0.01 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 -4.00 3.22 0.41 0.00 1.01 0.22 -3.66 121.20 118.40 1ap4 s ILE 36 Ca 0.39 -3.44 -0.25 0.00 0.00 0.00 0.00 60.65 57.35 1ap4 s ILE 36 Cb 0.06 -3.13 -0.11 0.00 0.01 0.00 0.00 42.46 39.29 1ap4 s ILE 36 CO 0.16 -0.90 1.07 -1.20 0.00 0.00 0.00 174.94 174.07 1ap4 n SER 37 N 2.94 1.57 0.25 3.58 7.64 -1.26 -1.93 113.62 126.40 1ap4 n SER 37 Ca 0.10 1.07 0.17 0.00 1.01 0.00 0.00 58.87 61.22 1ap4 n SER 37 Cb 0.35 -1.38 0.78 0.00 -1.01 0.00 0.00 64.21 62.95 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 1.72 0.14 -1.00 0.44 1.03 -1.93 -0.08 112.91 113.23 1ap4 h THR 38 Ca -0.45 0.00 0.07 0.00 -0.01 0.00 0.00 66.41 66.02 1ap4 h THR 38 Cb 1.33 0.65 -0.07 0.00 -1.07 0.00 0.00 68.15 68.99 1ap4 h THR 38 CO 0.58 0.00 0.65 0.50 -0.01 0.00 0.00 175.52 177.23 1ap4 h LYS 39 N 0.00 1.11 0.00 0.00 3.11 -1.90 -1.12 116.57 117.77 1ap4 h LYS 39 Ca 0.07 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ap4 h LYS 39 Cb 0.83 -0.25 0.00 0.00 -1.00 0.00 0.00 32.23 31.81 1ap4 h LYS 39 CO -0.00 0.74 -0.60 0.93 -2.81 0.00 0.00 179.45 177.71 1ap4 h GLU 40 N 1.15 0.00 -0.51 1.90 5.08 -1.34 -3.38 114.58 117.49 1ap4 h GLU 40 Ca 0.44 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.85 1ap4 h GLU 40 Cb 0.21 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.38 1ap4 h GLU 40 CO -0.18 0.00 -0.55 1.25 -1.00 0.00 0.00 179.01 178.53 1ap4 h LEU 41 N 0.00 -1.87 -0.95 1.33 7.12 -1.06 1.99 115.31 121.87 1ap4 h LEU 41 Ca 0.00 0.25 0.30 0.00 0.13 0.00 0.00 57.88 58.56 1ap4 h LEU 41 Cb 0.90 0.78 -0.16 0.00 -0.53 0.00 0.00 40.66 41.65 1ap4 h LEU 41 CO 0.00 -0.36 0.35 1.23 -0.13 0.00 0.00 178.44 179.53 1ap4 h GLY 42 N -0.31 1.71 1.42 3.75 0.00 -1.73 0.80 103.07 108.70 1ap4 h GLY 42 Ca 0.09 -0.08 -0.30 0.00 0.00 0.00 0.00 47.33 47.04 1ap4 h GLY 42 CO -0.64 -0.51 -1.29 0.50 0.00 0.00 0.00 176.54 174.59 1ap4 h LYS 43 N 0.16 0.45 -0.53 4.80 1.57 -0.47 -2.76 116.57 119.80 1ap4 h LYS 43 Ca 0.67 -0.70 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1ap4 h LYS 43 Cb 1.50 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 34.03 1ap4 h LYS 43 CO -0.71 1.32 0.30 0.28 -0.57 0.00 0.00 179.45 180.07 1ap4 h VAL 44 N 0.16 1.16 0.00 0.50 2.07 0.87 -1.00 116.25 120.00 1ap4 h VAL 44 Ca -0.18 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 66.85 1ap4 h VAL 44 Cb 1.98 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1ap4 h VAL 44 CO 0.23 0.17 -0.50 0.24 0.02 0.00 0.00 177.57 177.73 1ap4 h MET 45 N 0.74 0.00 -0.01 1.57 2.86 0.24 -2.12 114.93 118.21 1ap4 h MET 45 Ca 0.19 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1ap4 h MET 45 Cb -0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1ap4 h MET 45 CO -0.03 0.50 -0.03 0.00 1.06 0.00 0.00 176.91 178.41 1ap4 h ARG 46 N 0.00 0.04 -0.03 1.72 2.47 -0.91 2.13 114.38 119.79 1ap4 h ARG 46 Ca -0.01 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.55 1ap4 h ARG 46 Cb 1.24 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.55 1ap4 h ARG 46 CO 0.07 0.65 -0.62 0.00 0.56 0.00 0.00 179.97 180.63 1ap4 h MET 47 N -0.57 0.12 0.00 0.04 -0.00 -1.38 -2.91 114.93 110.22 1ap4 h MET 47 Ca -0.00 -0.08 -0.02 0.00 -0.00 0.00 0.00 59.70 59.59 1ap4 h MET 47 Cb 0.66 0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.27 1ap4 h MET 47 CO 0.01 0.69 -0.11 -0.07 -0.00 0.00 0.00 176.91 177.43 1ap4 h LEU 48 N 0.08 0.00 0.00 -0.10 3.38 -1.43 -3.46 115.31 113.79 1ap4 h LEU 48 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ap4 h LEU 48 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1ap4 h LEU 48 CO 0.09 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.34 1ap4 n GLY 49 N -0.07 1.63 3.89 0.83 0.00 -1.05 -5.07 105.19 105.34 1ap4 n GLY 49 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.02 2.38 -0.37 1.61 -1.52 0.72 -5.00 119.66 117.46 1ap4 s GLN 50 Ca 0.00 -1.75 0.13 0.00 -1.95 0.00 0.00 55.36 51.78 1ap4 s GLN 50 Cb 0.00 -2.26 0.40 0.00 -0.22 0.00 0.00 33.01 30.93 1ap4 s GLN 50 CO 0.00 -0.39 1.03 0.09 -0.25 0.00 0.00 175.29 175.77 1ap4 n ASN 51 N -1.65 -0.12 -4.76 5.90 4.13 -1.26 -3.94 115.26 113.55 1ap4 n ASN 51 Ca 0.02 -2.86 -0.29 0.00 1.68 0.00 0.00 54.58 53.13 1ap4 n ASN 51 Cb 0.63 0.22 0.13 0.00 -1.54 0.00 0.00 39.78 39.21 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1ap4 s PRO 52 N -1.61 1.29 0.46 3.52 0.04 -1.26 -5.07 135.00 132.37 1ap4 s PRO 52 Ca 0.28 0.48 0.08 0.00 0.04 0.00 0.00 61.00 61.89 1ap4 s PRO 52 Cb 0.39 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 33.12 1ap4 s PRO 52 CO -0.03 -2.14 0.62 0.95 0.04 0.00 0.00 177.00 176.44 1ap4 s THR 53 N -3.15 2.76 0.27 1.26 -4.23 -1.26 -5.00 115.64 106.29 1ap4 s THR 53 Ca 0.63 -1.02 0.21 0.00 -1.18 0.00 0.00 61.69 60.34 1ap4 s THR 53 Cb -0.16 -2.78 0.19 0.00 1.34 0.00 0.00 72.50 71.10 1ap4 s THR 53 CO 0.55 0.00 1.87 1.55 -0.54 0.00 0.00 174.62 178.04 1ap4 h PRO 54 N 0.54 0.00 -0.02 3.99 0.13 -2.01 -2.78 132.00 131.85 1ap4 h PRO 54 Ca -0.37 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.68 1ap4 h PRO 54 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1ap4 h PRO 54 CO 0.45 0.27 -0.29 1.49 -0.23 0.00 0.00 178.00 179.68 1ap4 h GLU 55 N 0.00 0.23 -0.62 0.86 4.81 -2.03 -3.23 114.58 114.60 1ap4 h GLU 55 Ca -0.00 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1ap4 h GLU 55 Cb 0.66 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 1ap4 h GLU 55 CO 0.03 0.92 0.41 0.93 -0.73 0.00 0.00 179.01 180.58 1ap4 h GLU 56 N -0.37 0.80 0.00 1.92 5.08 -1.94 -2.92 114.58 117.15 1ap4 h GLU 56 Ca -0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ap4 h GLU 56 Cb 1.01 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1ap4 h GLU 56 CO 0.06 0.53 0.00 1.28 -1.00 0.00 0.00 179.01 179.88 1ap4 n LEU 57 N -4.45 0.00 -0.17 1.33 4.32 -1.06 0.89 117.00 117.87 1ap4 n LEU 57 Ca 0.06 0.52 -0.03 0.00 -0.02 0.00 0.00 56.01 56.55 1ap4 n LEU 57 Cb 0.06 -0.03 0.07 0.00 -1.62 0.00 0.00 43.42 41.90 1ap4 n LEU 57 CO 0.36 -0.03 0.97 -0.61 -1.22 0.00 0.00 177.39 176.86 1ap4 h GLN 58 N 0.00 0.35 0.05 3.23 5.75 -1.72 -2.78 115.11 120.00 1ap4 h GLN 58 Ca 0.00 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1ap4 h GLN 58 Cb 0.00 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.44 1ap4 h GLN 58 CO 0.00 0.23 -0.28 0.93 -2.65 0.00 0.00 178.83 177.07 1ap4 h GLU 59 N 0.36 -0.37 -0.86 1.69 4.39 -1.17 2.10 114.58 120.72 1ap4 h GLU 59 Ca 0.25 0.03 0.16 0.00 0.34 0.00 0.00 59.36 60.14 1ap4 h GLU 59 Cb 0.27 0.09 -0.16 0.00 -0.10 0.00 0.00 28.75 28.85 1ap4 h GLU 59 CO -0.26 -0.25 -0.27 1.98 -1.16 0.00 0.00 179.01 179.05 1ap4 h MET 60 N -0.39 -0.02 -0.24 2.33 4.05 0.65 0.16 114.93 121.47 1ap4 h MET 60 Ca -0.00 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.29 1ap4 h MET 60 Cb 0.39 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.20 1ap4 h MET 60 CO -0.16 -0.02 -0.36 0.82 0.23 0.00 0.00 176.91 177.43 1ap4 h ILE 61 N -0.02 1.31 0.00 1.77 2.04 -1.13 -1.16 117.51 120.32 1ap4 h ILE 61 Ca 0.38 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1ap4 h ILE 61 Cb 0.62 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1ap4 h ILE 61 CO -0.89 0.49 0.03 -0.78 0.00 0.00 0.00 178.15 177.01 1ap4 h ASP 62 N 0.37 0.00 0.00 1.72 1.82 0.59 1.05 116.42 121.97 1ap4 h ASP 62 Ca 0.02 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.43 1ap4 h ASP 62 Cb 0.95 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.91 1ap4 h ASP 62 CO 0.08 0.00 -2.16 -0.62 -1.61 0.00 0.00 179.24 174.94 1ap4 n GLU 63 N -2.80 0.88 -0.08 0.28 1.02 0.32 -4.58 120.64 115.68 1ap4 n GLU 63 Ca -0.02 -0.06 -0.17 0.00 -0.02 0.00 0.00 57.16 56.88 1ap4 n GLU 63 Cb 0.09 -1.47 -0.13 0.00 -0.02 0.00 0.00 31.44 29.91 1ap4 n GLU 63 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1ap4 n VAL 64 N -2.53 1.57 -1.57 2.62 3.14 -0.46 -4.93 118.33 116.16 1ap4 n VAL 64 Ca -0.22 -0.65 -0.52 0.00 -2.96 0.00 0.00 64.34 59.99 1ap4 n VAL 64 Cb 0.92 -1.36 -0.06 0.00 -1.06 0.00 0.00 33.84 32.29 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 -3.24 1.31 -0.08 6.55 2.03 0.35 -4.85 116.55 118.62 1ap4 n ASP 65 Ca -0.38 1.13 0.01 0.00 0.52 0.00 0.00 54.79 56.07 1ap4 n ASP 65 Cb 1.03 -1.16 0.02 0.00 -0.72 0.00 0.00 41.12 40.29 1ap4 n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ap4 n GLU 66 N 2.19 1.40 -0.05 -0.67 1.02 -1.26 -4.58 120.64 118.68 1ap4 n GLU 66 Ca 0.18 -1.17 0.05 0.00 -0.02 0.00 0.00 57.16 56.20 1ap4 n GLU 66 Cb 0.19 -1.04 0.08 0.00 -0.02 0.00 0.00 31.44 30.65 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 -0.16 2.10 -4.30 1.62 5.75 -1.26 -4.97 116.55 115.33 1ap4 n ASP 67 Ca 0.01 -2.58 -0.38 0.00 -0.01 0.00 0.00 54.79 51.84 1ap4 n ASP 67 Cb 0.18 -0.24 -0.05 0.00 -1.03 0.00 0.00 41.12 39.98 1ap4 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ap4 n GLY 68 N -0.99 -0.43 0.11 6.12 0.00 -1.26 -4.79 105.19 103.95 1ap4 n GLY 68 Ca 0.09 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.51 0.69 0.00 1.61 3.41 -1.26 -4.98 113.62 110.58 1ap4 n SER 69 Ca 0.09 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1ap4 n SER 69 Cb 0.47 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 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 1.86 1.43 3.73 5.00 0.00 -1.26 -5.03 105.19 110.92 1ap4 n GLY 70 Ca -0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.40 4.20 -0.23 2.61 -4.23 -1.26 -3.61 115.64 110.72 1ap4 s THR 71 Ca 0.00 -1.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.46 1ap4 s THR 71 Cb 0.00 -3.05 -0.02 0.00 1.34 0.00 0.00 72.50 70.77 1ap4 s THR 71 CO 0.00 0.05 0.02 -0.69 -0.54 0.00 0.00 174.62 173.46 1ap4 s VAL 72 N -1.46 3.92 0.00 2.29 1.01 -0.81 -4.89 120.40 120.46 1ap4 s VAL 72 Ca 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1ap4 s VAL 72 Cb -0.11 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1ap4 s VAL 72 CO 0.20 0.39 0.00 -0.67 0.00 0.00 0.00 175.10 175.02 1ap4 n ASP 73 N 4.72 0.00 0.13 3.32 2.03 -1.26 0.70 116.55 126.19 1ap4 n ASP 73 Ca -0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.14 1ap4 n ASP 73 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 1ap4 n ASP 73 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1ap4 n PHE 74 N -0.38 -2.15 -0.27 -0.67 7.35 -1.26 -4.62 117.46 115.46 1ap4 n PHE 74 Ca 0.00 0.38 0.01 0.00 -0.76 0.00 0.00 57.45 57.08 1ap4 n PHE 74 Cb 0.00 0.49 0.14 0.00 0.35 0.00 0.00 39.48 40.47 1ap4 n PHE 74 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1ap4 h ASP 75 N 0.00 0.62 -0.42 -2.13 3.32 -1.99 -0.76 116.42 115.05 1ap4 h ASP 75 Ca 0.00 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 1ap4 h ASP 75 Cb 0.00 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1ap4 h ASP 75 CO 0.00 0.37 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.23 1ap4 h GLU 76 N 0.75 0.97 -0.09 3.56 5.08 -1.92 -1.57 114.58 121.35 1ap4 h GLU 76 Ca 0.36 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1ap4 h GLU 76 Cb 0.31 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1ap4 h GLU 76 CO -0.23 1.14 0.05 0.35 -1.00 0.00 0.00 179.01 179.32 1ap4 h PHE 77 N 0.80 0.10 0.42 4.33 3.57 -1.58 -2.06 116.94 122.53 1ap4 h PHE 77 Ca 0.08 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1ap4 h PHE 77 Cb 0.92 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1ap4 h PHE 77 CO 0.06 0.06 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.93 1ap4 h LEU 78 N 0.11 -0.48 -1.69 0.59 3.38 -1.16 -2.74 115.31 113.32 1ap4 h LEU 78 Ca 0.03 -0.11 0.23 0.00 0.09 0.00 0.00 57.88 58.12 1ap4 h LEU 78 Cb -0.01 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1ap4 h LEU 78 CO -0.01 -0.11 0.79 0.58 0.09 0.00 0.00 178.44 179.77 1ap4 h VAL 79 N -0.89 0.24 -0.11 1.22 2.07 -1.27 0.23 116.25 117.74 1ap4 h VAL 79 Ca -0.06 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1ap4 h VAL 79 Cb 0.56 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1ap4 h VAL 79 CO 0.09 0.00 -0.10 0.24 0.02 0.00 0.00 177.57 177.82 1ap4 h MET 80 N 0.00 0.27 0.62 1.57 2.86 -1.06 -1.88 114.93 117.30 1ap4 h MET 80 Ca 0.37 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 1ap4 h MET 80 Cb 1.95 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.62 1ap4 h MET 80 CO -0.00 0.67 -0.30 0.52 1.06 0.00 0.00 176.91 178.86 1ap4 h MET 81 N -0.12 -0.80 -0.89 1.72 2.07 -0.48 -2.93 114.93 113.50 1ap4 h MET 81 Ca 0.02 0.05 0.20 0.00 -2.07 0.00 0.00 59.70 57.91 1ap4 h MET 81 Cb 0.61 0.18 -0.12 0.00 -1.87 0.00 0.00 31.60 30.41 1ap4 h MET 81 CO 0.03 -0.48 0.42 -0.24 1.07 0.00 0.00 176.91 177.70 1ap4 h VAL 82 N -1.05 0.55 -0.90 -2.22 3.04 -1.52 0.24 116.25 114.38 1ap4 h VAL 82 Ca -0.08 -0.16 0.14 0.00 -1.01 0.00 0.00 66.70 65.59 1ap4 h VAL 82 Cb 0.69 0.03 -0.09 0.00 -2.01 0.00 0.00 31.29 29.91 1ap4 h VAL 82 CO 0.14 0.09 0.51 0.03 -1.01 0.00 0.00 177.57 177.32 1ap4 h ARG 83 N 0.47 0.71 -1.72 4.17 3.08 -1.19 -2.32 114.38 117.58 1ap4 h ARG 83 Ca 0.54 -0.04 -0.64 0.00 0.07 0.00 0.00 59.98 59.90 1ap4 h ARG 83 Cb 0.96 -0.16 -0.38 0.00 0.08 0.00 0.00 29.97 30.48 1ap4 h ARG 83 CO -0.48 0.47 -0.19 0.00 -1.07 0.00 0.00 179.97 178.69 1ap4 n MET 85 N -0.47 0.00 0.00 0.00 2.81 -0.75 -4.96 117.12 113.75 1ap4 n MET 85 Ca 0.43 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 1ap4 n MET 85 Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.03 1ap4 n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1ap4 n LYS 86 N -1.16 1.80 -1.72 0.03 4.81 -1.26 -5.07 118.16 115.59 1ap4 n LYS 86 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.15 1ap4 n LYS 86 Cb 0.00 -0.79 0.11 0.00 0.02 0.00 0.00 35.03 34.37 1ap4 n LYS 86 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1ap4 s ASP 87 N -2.47 4.13 0.54 3.14 -4.77 -1.26 -4.88 116.67 111.10 1ap4 s ASP 87 Ca 0.00 0.91 0.00 0.00 -3.30 0.00 0.00 52.55 50.16 1ap4 s ASP 87 Cb 0.00 -1.47 0.00 0.00 -1.09 0.00 0.00 42.92 40.36 1ap4 s ASP 87 CO 0.00 -2.15 0.00 0.47 0.70 0.00 0.00 175.17 174.19 1ap4 n ASP 88 N -3.50 -7.82 0.00 2.11 9.92 -1.26 -4.82 116.55 111.18 1ap4 n ASP 88 Ca 0.07 1.21 0.00 0.00 -0.53 0.00 0.00 54.79 55.54 1ap4 n ASP 88 Cb 0.60 -4.60 0.00 0.00 -0.64 0.00 0.00 41.12 36.47 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79