#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f55 n SER 2 N 0.00 -2.46 -3.85 -3.46 7.64 -1.26 -4.90 113.62 105.34 1f55 n SER 2 Ca 0.00 -0.85 -0.28 0.00 1.01 0.00 0.00 58.87 58.75 1f55 n SER 2 Cb 0.00 -2.08 -0.16 0.00 -1.01 0.00 0.00 64.21 60.95 1f55 n SER 2 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1f55 s ASN 3 N -3.03 2.86 0.00 6.43 0.02 -1.26 -5.11 114.94 114.85 1f55 s ASN 3 Ca 0.65 -0.71 0.00 0.00 -1.02 0.00 0.00 52.86 51.78 1f55 s ASN 3 Cb -0.37 -0.82 0.00 0.00 0.02 0.00 0.00 41.25 40.08 1f55 s ASN 3 CO 0.80 -0.22 0.00 0.18 0.02 0.00 0.00 177.10 177.88 1f55 n LEU 4 N 4.92 0.00 0.00 0.60 4.32 -1.26 -4.08 117.00 121.50 1f55 n LEU 4 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 1f55 n LEU 4 Cb 0.47 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.27 1f55 n LEU 4 CO 0.15 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.67 1f55 n THR 5 N 0.00 0.00 -0.44 -5.08 -2.24 -1.26 -0.21 114.28 105.05 1f55 n THR 5 Ca 0.00 0.00 0.40 0.00 -2.27 0.00 0.00 64.05 62.18 1f55 n THR 5 Cb 0.00 0.00 0.66 0.00 -2.10 0.00 0.00 70.33 68.89 1f55 n THR 5 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1f55 h GLU 6 N 0.00 0.00 -0.04 -0.78 4.11 -1.97 1.10 114.58 116.99 1f55 h GLU 6 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 1f55 h GLU 6 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1f55 h GLU 6 CO 0.00 0.00 -0.26 1.49 0.07 0.00 0.00 179.01 180.31 1f55 h GLU 7 N 0.00 0.26 -0.27 1.06 4.81 -0.85 -1.39 114.58 118.20 1f55 h GLU 7 Ca 0.70 -0.22 -0.18 0.00 -0.13 0.00 0.00 59.36 59.53 1f55 h GLU 7 Cb 3.20 0.05 0.00 0.00 0.63 0.00 0.00 28.75 32.63 1f55 h GLU 7 CO -0.01 0.88 -0.52 -0.56 -0.73 0.00 0.00 179.01 178.07 1f55 h GLN 8 N -0.29 0.84 0.53 1.92 3.07 0.14 -2.76 115.11 118.55 1f55 h GLN 8 Ca -0.02 -0.53 -0.02 0.00 0.09 0.00 0.00 58.65 58.16 1f55 h GLN 8 Cb 0.93 0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.56 1f55 h GLN 8 CO 0.05 1.16 -0.28 0.82 0.09 0.00 0.00 178.83 180.68 1f55 h ILE 9 N 0.61 0.00 -0.81 1.86 2.04 -0.56 0.31 117.51 120.95 1f55 h ILE 9 Ca 0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.02 1f55 h ILE 9 Cb 1.13 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.06 1f55 h ILE 9 CO 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 178.15 177.99 1f55 h ALA 10 N -1.58 0.33 -0.35 1.87 0.00 -1.33 0.56 119.26 118.76 1f55 h ALA 10 Ca -0.07 0.28 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1f55 h ALA 10 Cb 0.58 0.74 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1f55 h ALA 10 CO 0.10 -0.51 0.16 1.49 0.00 0.00 0.00 179.25 180.49 1f55 h GLU 11 N -0.04 0.33 -0.08 0.00 4.57 -1.31 -2.44 114.58 115.61 1f55 h GLU 11 Ca 0.35 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.54 1f55 h GLU 11 Cb 0.59 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 1f55 h GLU 11 CO -0.84 0.22 -0.09 0.74 -1.18 0.00 0.00 179.01 177.86 1f55 h PHE 12 N 0.34 -0.22 -0.96 0.92 -1.00 0.38 -2.12 116.94 114.29 1f55 h PHE 12 Ca 0.15 0.01 0.13 0.00 2.81 0.00 0.00 57.97 61.07 1f55 h PHE 12 Cb 0.08 0.11 -0.14 0.00 3.61 0.00 0.00 35.95 39.61 1f55 h PHE 12 CO -0.11 -0.14 -0.46 0.87 -1.61 0.00 0.00 178.31 176.87 1f55 h LYS 13 N -0.11 -0.02 -0.57 1.51 1.57 0.15 2.10 116.57 121.20 1f55 h LYS 13 Ca 0.06 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1f55 h LYS 13 Cb 0.21 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 1f55 h LYS 13 CO -0.15 -0.01 0.25 1.49 -0.57 0.00 0.00 179.45 180.45 1f55 h GLU 14 N -0.02 0.45 0.01 3.15 4.57 -1.24 -1.83 114.58 119.66 1f55 h GLU 14 Ca 0.27 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1f55 h GLU 14 Cb 0.53 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1f55 h GLU 14 CO -0.94 0.29 -0.00 0.00 -1.18 0.00 0.00 179.01 177.18 1f55 h ALA 15 N 1.36 -0.01 -0.54 2.92 0.00 0.17 -2.84 119.26 120.32 1f55 h ALA 15 Ca 0.27 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1f55 h ALA 15 Cb 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.98 1f55 h ALA 15 CO -0.24 -0.41 -0.54 0.35 0.00 0.00 0.00 179.25 178.41 1f55 h PHE 16 N -0.21 -1.69 -0.75 0.00 3.57 0.35 0.23 116.94 118.44 1f55 h PHE 16 Ca -0.00 0.09 0.15 0.00 3.53 0.00 0.00 57.97 61.74 1f55 h PHE 16 Cb 0.21 0.81 -0.14 0.00 2.79 0.00 0.00 35.95 39.61 1f55 h PHE 16 CO -0.01 -0.44 -0.20 0.00 -2.23 0.00 0.00 178.31 175.43 1f55 h ALA 17 N 0.04 0.46 -1.03 2.41 0.00 -1.30 1.08 119.26 120.92 1f55 h ALA 17 Ca 0.09 0.29 0.29 0.00 0.00 0.00 0.00 54.91 55.58 1f55 h ALA 17 Cb 0.52 0.60 -0.13 0.00 0.00 0.00 0.00 17.79 18.78 1f55 h ALA 17 CO -0.66 -0.43 0.61 -0.07 0.00 0.00 0.00 179.25 178.71 1f55 h LEU 18 N -0.01 0.55 0.08 0.00 -0.00 -0.32 1.39 115.31 117.01 1f55 h LEU 18 Ca 0.36 0.15 -0.27 0.00 -0.00 0.00 0.00 57.88 58.12 1f55 h LEU 18 Cb 0.56 0.08 0.01 0.00 -0.00 0.00 0.00 40.66 41.30 1f55 h LEU 18 CO -0.78 -0.01 -1.21 -0.26 -0.00 0.00 0.00 178.44 176.18 1f55 h PHE 19 N 0.42 0.56 0.00 1.13 0.04 0.16 -3.27 116.94 115.99 1f55 h PHE 19 Ca 0.69 -0.39 -0.12 0.00 2.80 0.00 0.00 57.97 60.95 1f55 h PHE 19 Cb 1.53 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.64 1f55 h PHE 19 CO -0.01 1.28 -0.57 0.22 -0.60 0.00 0.00 178.31 178.64 1f55 h ASP 20 N 0.11 0.00 -3.65 2.17 1.82 0.30 0.12 116.42 117.29 1f55 h ASP 20 Ca -0.14 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.42 1f55 h ASP 20 Cb 1.92 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.92 1f55 h ASP 20 CO 0.20 0.57 -0.09 0.29 -1.61 0.00 0.00 179.24 178.60 1f55 n LYS 21 N -3.56 -2.18 0.00 0.28 4.76 0.43 -4.41 118.16 113.48 1f55 n LYS 21 Ca -0.00 0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 1f55 n LYS 21 Cb 0.64 -4.58 0.00 0.00 -1.84 0.00 0.00 35.03 29.24 1f55 n LYS 21 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1f55 n ASP 22 N -0.86 0.00 -0.05 4.39 2.03 -1.26 -5.01 116.55 115.78 1f55 n ASP 22 Ca -0.05 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.26 1f55 n ASP 22 Cb 0.40 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.79 1f55 n ASP 22 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1f55 n ASN 23 N -0.49 -4.09 -0.03 1.67 3.02 -1.26 -4.84 115.26 109.24 1f55 n ASN 23 Ca 0.00 0.02 0.01 0.00 -0.03 0.00 0.00 54.58 54.57 1f55 n ASN 23 Cb 0.00 -1.64 0.04 0.00 -0.61 0.00 0.00 39.78 37.57 1f55 n ASN 23 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1f55 n ASN 24 N -0.28 0.08 -0.50 6.41 5.03 -1.26 -4.81 115.26 119.93 1f55 n ASN 24 Ca -0.01 -1.96 -0.06 0.00 0.87 0.00 0.00 54.58 53.42 1f55 n ASN 24 Cb 0.19 -0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 38.91 1f55 n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f55 n GLY 25 N 0.54 0.86 3.24 7.41 0.00 -1.26 -4.99 105.19 111.00 1f55 n GLY 25 Ca 0.01 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 1f55 n GLY 25 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1f55 s SER 26 N -2.68 -0.30 0.37 1.61 0.15 -1.26 -3.44 113.70 108.16 1f55 s SER 26 Ca 0.00 0.45 0.08 0.00 0.70 0.00 0.00 55.95 57.19 1f55 s SER 26 Cb 0.00 0.55 -0.06 0.00 -1.71 0.00 0.00 66.02 64.80 1f55 s SER 26 CO 0.00 -0.26 0.00 -0.63 1.20 0.00 0.00 173.24 173.55 1f55 s ILE 27 N -0.43 2.28 0.17 6.45 1.01 0.58 -4.71 121.20 126.55 1f55 s ILE 27 Ca -0.06 -2.02 -0.13 0.00 0.00 0.00 0.00 60.65 58.45 1f55 s ILE 27 Cb -0.04 -2.84 0.01 0.00 0.01 0.00 0.00 42.46 39.61 1f55 s ILE 27 CO 0.02 -0.12 0.37 -0.55 0.00 0.00 0.00 174.94 174.67 1f55 s SER 28 N -3.71 -0.09 0.40 3.58 0.15 -1.26 -2.60 113.70 110.17 1f55 s SER 28 Ca 0.35 -0.66 0.23 0.00 0.70 0.00 0.00 55.95 56.57 1f55 s SER 28 Cb 0.04 0.48 1.30 0.00 -1.71 0.00 0.00 66.02 66.13 1f55 s SER 28 CO 0.18 -0.94 1.64 0.77 1.20 0.00 0.00 173.24 176.09 1f55 h SER 29 N 2.42 0.35 0.11 5.45 4.64 -1.89 -1.77 113.55 122.86 1f55 h SER 29 Ca -0.31 0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1f55 h SER 29 Cb 1.24 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1f55 h SER 29 CO 0.45 -0.20 -0.06 -1.28 -0.87 0.00 0.00 176.83 174.87 1f55 h SER 30 N 0.16 -0.13 -0.06 4.97 0.87 -1.95 -1.97 113.55 115.44 1f55 h SER 30 Ca 0.79 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 61.36 1f55 h SER 30 Cb 2.19 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 64.18 1f55 h SER 30 CO -0.53 -0.06 -0.05 -0.33 -0.53 0.00 0.00 176.83 175.33 1f55 h GLU 31 N -0.23 -0.02 -1.17 2.24 5.08 -1.60 0.43 114.58 119.31 1f55 h GLU 31 Ca -0.02 0.00 0.36 0.00 -1.00 0.00 0.00 59.36 58.71 1f55 h GLU 31 Cb 0.12 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.25 1f55 h GLU 31 CO 0.03 -0.02 0.74 -0.07 -1.00 0.00 0.00 179.01 178.69 1f55 h LEU 32 N -0.02 0.35 -1.05 1.33 3.38 0.06 2.08 115.31 121.42 1f55 h LEU 32 Ca 0.01 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1f55 h LEU 32 Cb 0.05 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1f55 h LEU 32 CO -0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 178.44 178.37 1f55 h ALA 33 N 1.65 1.00 -0.05 1.53 0.00 0.52 -2.64 119.26 121.26 1f55 h ALA 33 Ca 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.64 1f55 h ALA 33 Cb 2.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1f55 h ALA 33 CO -0.41 0.00 0.00 2.41 0.00 0.00 0.00 179.25 181.25 1f55 n THR 34 N -3.09 0.05 -1.23 0.00 -1.04 0.70 -3.70 114.28 105.97 1f55 n THR 34 Ca 0.02 -0.22 0.03 0.00 -2.04 0.00 0.00 64.05 61.83 1f55 n THR 34 Cb 0.37 0.26 0.22 0.00 -1.82 0.00 0.00 70.33 69.36 1f55 n THR 34 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1f55 n VAL 35 N -0.03 2.36 0.06 12.58 3.14 -1.00 -4.67 118.33 130.77 1f55 n VAL 35 Ca 0.19 -2.36 0.00 0.00 -2.96 0.00 0.00 64.34 59.20 1f55 n VAL 35 Cb 0.29 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 32.79 1f55 n VAL 35 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1f55 n MET 36 N -0.92 0.00 -0.57 1.45 2.81 -1.24 -4.53 117.12 114.12 1f55 n MET 36 Ca 0.26 0.00 0.47 0.00 -1.81 0.00 0.00 57.70 56.62 1f55 n MET 36 Cb 0.92 -0.17 0.79 0.00 -0.71 0.00 0.00 33.22 34.05 1f55 n MET 36 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1f55 h ARG 37 N 0.00 0.00 0.00 0.03 2.43 0.14 1.06 114.38 118.04 1f55 h ARG 37 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1f55 h ARG 37 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1f55 h ARG 37 CO 0.00 0.00 -0.01 0.77 -1.51 0.00 0.00 179.97 179.22 1f55 h SER 38 N 0.00 0.00 -1.96 -3.80 0.02 -1.83 -3.41 113.55 102.57 1f55 h SER 38 Ca 0.80 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 61.06 1f55 h SER 38 Cb 3.25 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 65.44 1f55 h SER 38 CO -0.01 0.06 0.17 0.18 -1.14 0.00 0.00 176.83 176.09 1f55 n LEU 39 N -2.34 6.03 0.00 5.07 4.77 -0.84 -4.85 117.00 124.85 1f55 n LEU 39 Ca -0.00 -5.23 0.00 0.00 -0.03 0.00 0.00 56.01 50.74 1f55 n LEU 39 Cb 0.00 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1f55 n LEU 39 CO 0.00 2.08 0.00 0.61 -1.33 0.00 0.00 177.39 178.76 1f55 n GLY 40 N -0.37 -2.03 3.55 -0.72 0.00 0.31 -4.80 105.19 101.13 1f55 n GLY 40 Ca 0.43 0.79 -0.08 0.00 0.00 0.00 0.00 46.02 47.17 1f55 n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f55 s LEU 41 N 0.00 -0.37 -0.89 0.99 2.96 0.16 -4.78 118.68 116.74 1f55 s LEU 41 Ca 0.00 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 1f55 s LEU 41 Cb 0.00 2.23 0.22 0.00 0.50 0.00 0.00 46.19 49.15 1f55 s LEU 41 CO 0.00 -0.80 0.80 -0.94 -1.32 0.00 0.00 176.35 174.08 1f55 s SER 42 N -2.66 6.20 0.00 3.68 1.04 -1.26 0.16 113.70 120.86 1f55 s SER 42 Ca 0.06 -3.51 0.00 0.00 0.48 0.00 0.00 55.95 52.98 1f55 s SER 42 Cb -0.01 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 64.13 1f55 s SER 42 CO -0.07 -0.25 0.00 -0.81 0.98 0.00 0.00 173.24 173.09 1f55 n PRO 43 N 2.67 1.03 -4.28 4.02 -0.04 -1.26 -4.97 135.00 132.17 1f55 n PRO 43 Ca 0.20 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.50 1f55 n PRO 43 Cb 0.38 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.74 1f55 n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1f55 s SER 44 N -1.37 2.00 0.25 3.54 0.01 -1.26 -4.95 113.70 111.92 1f55 s SER 44 Ca 0.00 -1.04 0.07 0.00 1.31 0.00 0.00 55.95 56.28 1f55 s SER 44 Cb 0.00 -0.04 0.74 0.00 0.21 0.00 0.00 66.02 66.93 1f55 s SER 44 CO 0.00 -0.31 1.20 -1.84 0.41 0.00 0.00 173.24 172.69 1f55 n GLU 45 N -0.27 -0.06 -0.08 12.44 -0.00 -1.26 0.61 120.64 132.02 1f55 n GLU 45 Ca -0.09 1.11 -0.09 0.00 -0.00 0.00 0.00 57.16 58.09 1f55 n GLU 45 Cb 0.61 -1.84 -0.03 0.00 -0.00 0.00 0.00 31.44 30.18 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1f55 h ALA 46 N 1.52 -0.33 0.01 -1.84 0.00 -1.98 0.85 119.26 117.49 1f55 h ALA 46 Ca 0.53 0.06 -0.21 0.00 0.00 0.00 0.00 54.91 55.29 1f55 h ALA 46 Cb 1.22 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1f55 h ALA 46 CO -0.67 -0.80 -0.91 0.93 0.00 0.00 0.00 179.25 177.80 1f55 h GLU 47 N -0.33 0.26 0.19 0.00 4.39 -0.22 -2.26 114.58 116.61 1f55 h GLU 47 Ca 0.14 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1f55 h GLU 47 Cb 0.56 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1f55 h GLU 47 CO -0.49 1.01 -0.09 0.28 -1.16 0.00 0.00 179.01 178.56 1f55 h VAL 48 N 0.14 0.00 -0.95 3.13 2.07 0.46 -2.28 116.25 118.82 1f55 h VAL 48 Ca -0.06 -0.05 0.18 0.00 0.82 0.00 0.00 66.70 67.59 1f55 h VAL 48 Cb 1.54 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 1f55 h VAL 48 CO 0.15 0.00 0.61 -1.13 0.02 0.00 0.00 177.57 177.21 1f55 h ASN 49 N -0.31 0.65 -0.84 0.57 -1.24 0.54 0.15 115.58 115.11 1f55 h ASN 49 Ca -0.03 0.06 0.08 0.00 0.71 0.00 0.00 56.30 57.13 1f55 h ASN 49 Cb 0.19 -0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.13 1f55 h ASN 49 CO 0.04 0.27 0.54 0.44 -1.29 0.00 0.00 177.43 177.44 1f55 h ASP 50 N 0.66 0.77 0.29 1.15 5.19 -1.33 -0.94 116.42 122.21 1f55 h ASP 50 Ca 0.51 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.92 1f55 h ASP 50 Cb 0.92 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.28 1f55 h ASP 50 CO -0.27 0.48 -0.14 -0.07 -3.12 0.00 0.00 179.24 176.12 1f55 h LEU 51 N 0.87 -0.33 -0.34 1.55 3.38 -0.11 -2.48 115.31 117.84 1f55 h LEU 51 Ca 0.37 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1f55 h LEU 51 Cb 0.31 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 1f55 h LEU 51 CO -0.14 0.12 -0.21 -0.03 0.09 0.00 0.00 178.44 178.27 1f55 h MET 52 N -0.91 -0.16 -0.34 1.13 4.05 -1.22 -1.54 114.93 115.94 1f55 h MET 52 Ca -0.04 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.46 1f55 h MET 52 Cb 0.51 0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 31.28 1f55 h MET 52 CO 0.07 -0.11 -0.10 -0.97 0.23 0.00 0.00 176.91 176.03 1f55 h ASN 53 N -0.17 -0.36 -0.42 1.39 -0.73 -1.24 0.23 115.58 114.29 1f55 h ASN 53 Ca 0.17 0.11 0.06 0.00 1.87 0.00 0.00 56.30 58.51 1f55 h ASN 53 Cb 0.43 0.23 -0.09 0.00 0.27 0.00 0.00 38.32 39.17 1f55 h ASN 53 CO -0.44 -0.13 -0.52 -0.08 -0.37 0.00 0.00 177.43 175.89 1f55 h GLU 54 N -0.02 -0.36 0.00 6.67 4.57 -0.80 0.73 114.58 125.37 1f55 h GLU 54 Ca 0.17 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1f55 h GLU 54 Cb 0.27 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1f55 h GLU 54 CO -0.36 -0.24 0.00 -0.89 -1.18 0.00 0.00 179.01 176.34 1f55 n ILE 55 N -5.39 0.00 -2.42 2.32 5.41 -0.96 -4.58 119.36 113.74 1f55 n ILE 55 Ca -0.02 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.35 1f55 n ILE 55 Cb 0.35 -0.57 -0.03 0.00 -0.71 0.00 0.00 39.64 38.68 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1f55 s ASP 56 N -1.98 6.18 0.36 4.38 -1.08 0.26 -4.64 116.67 120.14 1f55 s ASP 56 Ca 0.39 -1.55 0.06 0.00 -0.52 0.00 0.00 52.55 50.93 1f55 s ASP 56 Cb 0.18 -2.57 0.70 0.00 -1.46 0.00 0.00 42.92 39.76 1f55 s ASP 56 CO 0.30 -1.82 1.92 -0.37 0.52 0.00 0.00 175.17 175.73 1f55 h VAL 57 N 6.55 1.17 0.04 1.11 -1.51 -1.80 -3.02 116.25 118.78 1f55 h VAL 57 Ca 0.24 -0.65 -0.33 0.00 -1.23 0.00 0.00 66.70 64.73 1f55 h VAL 57 Cb 0.97 0.90 -0.04 0.00 -2.13 0.00 0.00 31.29 30.99 1f55 h VAL 57 CO 1.37 0.23 -1.90 -0.90 -1.23 0.00 0.00 177.57 175.14 1f55 n ASP 58 N -4.32 1.27 -0.81 4.19 5.75 -1.26 -5.03 116.55 116.34 1f55 n ASP 58 Ca 0.01 0.28 0.00 0.00 -0.01 0.00 0.00 54.79 55.08 1f55 n ASP 58 Cb 0.21 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1f55 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f55 n GLY 59 N 1.75 0.87 1.51 6.12 0.00 -1.14 -5.03 105.19 109.27 1f55 n GLY 59 Ca -0.25 -0.53 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 1f55 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f55 n ASN 60 N -0.79 2.60 -0.17 1.61 6.94 -1.26 -4.93 115.26 119.26 1f55 n ASN 60 Ca 0.00 -3.28 -0.02 0.00 -0.02 0.00 0.00 54.58 51.25 1f55 n ASN 60 Cb 0.27 -0.42 -0.01 0.00 -2.36 0.00 0.00 39.78 37.26 1f55 n ASN 60 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1f55 n HIS 61 N -0.65 0.00 -3.73 -2.53 8.25 -1.26 -4.89 115.22 110.40 1f55 n HIS 61 Ca 0.23 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.60 1f55 n HIS 61 Cb 0.87 -1.93 -0.03 0.00 1.12 0.00 0.00 29.99 30.02 1f55 n HIS 61 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1f55 s GLN 62 N -1.98 1.52 0.05 -0.41 -0.21 -1.26 -4.11 119.66 113.26 1f55 s GLN 62 Ca 0.00 -0.86 0.02 0.00 0.02 0.00 0.00 55.36 54.54 1f55 s GLN 62 Cb 0.00 0.56 -0.03 0.00 1.00 0.00 0.00 33.01 34.54 1f55 s GLN 62 CO 0.00 -0.67 -0.07 0.96 -2.12 0.00 0.00 175.29 173.39 1f55 s ILE 63 N -3.87 0.53 0.31 1.08 -5.25 -1.07 -4.65 121.20 108.26 1f55 s ILE 63 Ca 0.09 -1.29 0.06 0.00 -0.99 0.00 0.00 60.65 58.52 1f55 s ILE 63 Cb -0.03 -0.86 -0.02 0.00 2.95 0.00 0.00 42.46 44.50 1f55 s ILE 63 CO -0.01 -0.53 0.40 -1.61 -1.79 0.00 0.00 174.94 171.40 1f55 s GLU 64 N -2.18 3.12 0.00 0.37 2.02 -1.26 -0.31 118.70 120.47 1f55 s GLU 64 Ca -0.05 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 53.95 1f55 s GLU 64 Cb -0.06 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.41 1f55 s GLU 64 CO -0.01 0.18 0.95 0.34 0.02 0.00 0.00 175.26 176.74 1f55 n PHE 65 N -1.51 0.00 -0.24 1.61 7.35 -1.22 -0.57 117.46 122.87 1f55 n PHE 65 Ca -0.03 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.87 1f55 n PHE 65 Cb 0.58 -0.45 0.40 0.00 0.35 0.00 0.00 39.48 40.36 1f55 n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1f55 n SER 66 N -2.59 0.19 -0.14 -2.13 2.88 -1.26 0.26 113.62 110.83 1f55 n SER 66 Ca 0.00 1.25 -0.09 0.00 -1.33 0.00 0.00 58.87 58.70 1f55 n SER 66 Cb 0.00 -0.58 -0.01 0.00 -0.75 0.00 0.00 64.21 62.88 1f55 n SER 66 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1f55 h GLU 67 N 0.00 0.66 -0.36 -1.46 5.08 -1.16 -1.51 114.58 115.83 1f55 h GLU 67 Ca 0.60 -0.15 0.10 0.00 -1.00 0.00 0.00 59.36 58.92 1f55 h GLU 67 Cb 1.54 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1f55 h GLU 67 CO -0.60 0.66 0.28 0.35 -1.00 0.00 0.00 179.01 178.69 1f55 h PHE 68 N 0.53 0.00 0.00 4.33 3.57 0.46 0.15 116.94 125.99 1f55 h PHE 68 Ca 0.13 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.44 1f55 h PHE 68 Cb 0.28 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1f55 h PHE 68 CO 0.01 0.00 -0.88 -0.07 -2.23 0.00 0.00 178.31 175.15 1f55 h LEU 69 N 0.00 0.27 -0.41 0.59 -0.00 -0.64 0.21 115.31 115.33 1f55 h LEU 69 Ca 0.17 -0.22 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 1f55 h LEU 69 Cb 0.72 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.28 1f55 h LEU 69 CO -0.00 1.02 0.12 0.00 -0.00 0.00 0.00 178.44 179.58 1f55 h ALA 70 N 0.96 0.54 0.09 1.53 0.00 -0.07 -1.61 119.26 120.70 1f55 h ALA 70 Ca -0.05 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.46 1f55 h ALA 70 Cb 1.50 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1f55 h ALA 70 CO 0.13 0.19 -1.16 1.25 0.00 0.00 0.00 179.25 179.66 1f55 h LEU 71 N 0.52 0.30 0.06 0.00 6.46 -1.49 -1.97 115.31 119.19 1f55 h LEU 71 Ca 0.13 -0.83 -0.00 0.00 -0.12 0.00 0.00 57.88 57.05 1f55 h LEU 71 Cb 0.27 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1f55 h LEU 71 CO -0.00 1.51 -0.04 -0.03 -0.62 0.00 0.00 178.44 179.25 1f55 h MET 72 N -0.48 -0.09 0.00 1.25 4.05 -0.64 -2.66 114.93 116.35 1f55 h MET 72 Ca -0.26 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 1f55 h MET 72 Cb 1.60 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.42 1f55 h MET 72 CO 0.03 -0.06 0.00 0.45 0.23 0.00 0.00 176.91 177.55 1f55 n SER 73 N -2.41 0.00 -1.10 1.39 2.88 -0.61 -5.00 113.62 108.77 1f55 n SER 73 Ca -0.01 -1.59 0.15 0.00 -1.33 0.00 0.00 58.87 56.08 1f55 n SER 73 Cb 0.04 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.46 1f55 n SER 73 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1f55 n ARG 74 N -0.69 -2.24 0.00 -1.46 0.63 -0.75 -4.90 116.66 107.25 1f55 n ARG 74 Ca 0.09 1.50 0.00 0.00 -0.92 0.00 0.00 57.85 58.52 1f55 n ARG 74 Cb 0.04 -2.72 0.00 0.00 0.45 0.00 0.00 32.46 30.23 1f55 n ARG 74 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1f55 n GLN 75 N -3.52 2.87 0.06 -0.14 10.64 -1.17 -4.55 117.38 121.57 1f55 n GLN 75 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1f55 n GLN 75 Cb 0.50 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.88 1f55 n GLN 75 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1f55 n LEU 76 N 0.00 0.52 0.00 2.61 4.77 -1.26 -5.10 117.00 118.54 1f55 n LEU 76 Ca 0.00 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1f55 n LEU 76 Cb 0.00 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1f55 n LEU 76 CO 0.00 -0.71 0.00 1.17 -1.33 0.00 0.00 177.39 176.52