#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f54 s SER 2 N 0.00 5.20 -0.08 -3.46 1.04 -1.26 -5.08 113.70 110.06 1f54 s SER 2 Ca 0.00 -0.15 -0.18 0.00 0.48 0.00 0.00 55.95 56.10 1f54 s SER 2 Cb 0.00 -1.92 0.04 0.00 0.10 0.00 0.00 66.02 64.24 1f54 s SER 2 CO 0.00 0.02 0.44 0.20 0.98 0.00 0.00 173.24 174.87 1f54 s ASN 3 N 1.30 -0.39 0.30 7.02 0.01 -1.26 -5.08 114.94 116.83 1f54 s ASN 3 Ca 0.05 0.52 0.00 0.00 -0.71 0.00 0.00 52.86 52.71 1f54 s ASN 3 Cb -0.15 0.58 0.00 0.00 0.41 0.00 0.00 41.25 42.10 1f54 s ASN 3 CO 0.03 -0.37 0.00 -0.11 -1.51 0.00 0.00 177.10 175.14 1f54 n LEU 4 N 1.77 -0.58 0.00 0.60 7.94 -1.26 -5.05 117.00 120.41 1f54 n LEU 4 Ca -0.18 1.30 -0.01 0.00 -1.11 0.00 0.00 56.01 56.01 1f54 n LEU 4 Cb 0.56 -3.35 0.00 0.00 0.53 0.00 0.00 43.42 41.16 1f54 n LEU 4 CO 0.18 -2.66 0.06 0.41 -1.11 0.00 0.00 177.39 174.27 1f54 n THR 5 N -3.59 0.00 0.41 1.96 -1.04 -1.26 -4.98 114.28 105.78 1f54 n THR 5 Ca -0.01 -0.08 -0.16 0.00 -2.04 0.00 0.00 64.05 61.76 1f54 n THR 5 Cb 0.50 0.08 -0.08 0.00 -1.82 0.00 0.00 70.33 69.01 1f54 n THR 5 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1f54 h GLU 6 N 0.00 -1.02 -0.75 -2.82 5.08 -2.00 -1.34 114.58 111.74 1f54 h GLU 6 Ca -0.03 0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1f54 h GLU 6 Cb 0.11 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1f54 h GLU 6 CO 0.04 -0.68 0.49 0.93 -1.00 0.00 0.00 179.01 178.79 1f54 h GLU 7 N -1.12 0.95 0.60 2.33 5.08 -1.99 -2.36 114.58 118.07 1f54 h GLU 7 Ca -0.11 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1f54 h GLU 7 Cb 0.81 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1f54 h GLU 7 CO 0.18 0.63 -0.38 0.37 -1.00 0.00 0.00 179.01 178.80 1f54 h GLN 8 N 0.98 -0.89 -0.96 2.33 5.75 -1.91 -1.28 115.11 119.14 1f54 h GLN 8 Ca 0.28 0.06 0.23 0.00 -0.15 0.00 0.00 58.65 59.07 1f54 h GLN 8 Cb -0.07 0.20 -0.07 0.00 1.07 0.00 0.00 27.48 28.61 1f54 h GLN 8 CO -0.07 -0.59 0.63 0.82 -2.65 0.00 0.00 178.83 176.97 1f54 h ILE 9 N -0.92 0.62 0.30 2.39 2.04 -1.12 -1.07 117.51 119.75 1f54 h ILE 9 Ca -0.08 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1f54 h ILE 9 Cb 0.75 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1f54 h ILE 9 CO 0.07 0.07 -0.15 0.00 0.00 0.00 0.00 178.15 178.14 1f54 h ALA 10 N 1.60 -0.41 -0.54 1.87 0.00 -0.85 -2.22 119.26 118.72 1f54 h ALA 10 Ca 0.51 -0.12 0.15 0.00 0.00 0.00 0.00 54.91 55.44 1f54 h ALA 10 Cb 1.33 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 1f54 h ALA 10 CO -0.20 -0.68 0.38 0.93 0.00 0.00 0.00 179.25 179.68 1f54 h GLU 11 N -0.51 0.05 -0.09 0.00 5.08 -0.07 -1.51 114.58 117.54 1f54 h GLU 11 Ca -0.04 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1f54 h GLU 11 Cb 0.38 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1f54 h GLU 11 CO 0.07 0.04 -0.06 0.74 -1.00 0.00 0.00 179.01 178.80 1f54 h PHE 12 N 0.06 0.24 0.26 4.33 -1.00 -0.97 -2.58 116.94 117.28 1f54 h PHE 12 Ca 0.26 -0.06 0.01 0.00 2.81 0.00 0.00 57.97 60.98 1f54 h PHE 12 Cb 0.95 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 40.42 1f54 h PHE 12 CO -0.00 0.58 -0.36 -0.22 -1.61 0.00 0.00 178.31 176.70 1f54 h LYS 13 N -0.17 -0.66 -0.87 1.51 3.64 -0.71 0.91 116.57 120.22 1f54 h LYS 13 Ca 0.02 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.62 1f54 h LYS 13 Cb 0.53 0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.39 1f54 h LYS 13 CO 0.02 -0.44 0.42 1.49 -2.27 0.00 0.00 179.45 178.67 1f54 h GLU 14 N -0.68 0.52 0.03 1.90 4.81 -1.54 0.50 114.58 120.12 1f54 h GLU 14 Ca -0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1f54 h GLU 14 Cb 0.65 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1f54 h GLU 14 CO -0.13 0.35 -0.01 0.00 -0.73 0.00 0.00 179.01 178.49 1f54 h ALA 15 N 1.62 -0.70 -0.93 2.92 0.00 -0.92 0.88 119.26 122.13 1f54 h ALA 15 Ca 0.50 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.59 1f54 h ALA 15 Cb 0.81 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.44 1f54 h ALA 15 CO -0.42 -0.69 -0.24 0.35 0.00 0.00 0.00 179.25 178.24 1f54 h PHE 16 N -0.05 -0.52 0.00 0.00 3.57 -0.68 2.03 116.94 121.29 1f54 h PHE 16 Ca -0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1f54 h PHE 16 Cb 0.03 0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1f54 h PHE 16 CO 0.15 -0.40 0.00 0.00 -2.23 0.00 0.00 178.31 175.83 1f54 h ALA 17 N 1.90 1.00 0.00 2.41 0.00 -0.94 -2.65 119.26 120.98 1f54 h ALA 17 Ca 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.34 1f54 h ALA 17 Cb 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1f54 h ALA 17 CO -0.96 0.00 -0.07 1.25 0.00 0.00 0.00 179.25 179.47 1f54 h LEU 18 N 0.00 0.00 -3.00 0.00 6.46 0.59 -2.71 115.31 116.64 1f54 h LEU 18 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1f54 h LEU 18 Cb 0.45 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1f54 h LEU 18 CO 0.00 0.07 0.00 0.49 -0.62 0.00 0.00 178.44 178.38 1f54 n PHE 19 N -3.34 0.06 -2.47 1.25 3.01 -1.01 -4.94 117.46 110.01 1f54 n PHE 19 Ca -0.01 -0.70 -0.39 0.00 1.01 0.00 0.00 57.45 57.36 1f54 n PHE 19 Cb 0.25 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.59 1f54 n PHE 19 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1f54 s ASP 20 N -1.74 6.22 0.08 4.37 2.15 -1.02 -4.76 116.67 121.95 1f54 s ASP 20 Ca 0.15 -1.13 -0.22 0.00 0.43 0.00 0.00 52.55 51.78 1f54 s ASP 20 Cb 0.12 -2.57 -0.13 0.00 -0.30 0.00 0.00 42.92 40.05 1f54 s ASP 20 CO 0.02 -1.76 1.63 0.50 -0.17 0.00 0.00 175.17 175.39 1f54 h LYS 21 N 10.21 0.13 -0.21 4.34 3.64 -1.90 -1.98 116.57 130.81 1f54 h LYS 21 Ca 0.10 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1f54 h LYS 21 Cb 1.02 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1f54 h LYS 21 CO 1.37 0.22 0.33 -0.44 -2.27 0.00 0.00 179.45 178.67 1f54 h ASP 22 N 0.01 0.00 -1.72 4.20 5.19 -1.88 -3.44 116.42 118.77 1f54 h ASP 22 Ca 0.03 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.10 1f54 h ASP 22 Cb 0.14 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.58 1f54 h ASP 22 CO -0.00 0.00 -0.38 -3.20 -3.12 0.00 0.00 179.24 172.54 1f54 n ASN 23 N -3.43 -4.97 -0.18 6.45 5.15 -0.75 -4.84 115.26 112.69 1f54 n ASN 23 Ca 0.03 0.16 0.02 0.00 -0.60 0.00 0.00 54.58 54.19 1f54 n ASN 23 Cb 0.45 -4.02 0.03 0.00 -0.53 0.00 0.00 39.78 35.71 1f54 n ASN 23 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1f54 n ASN 24 N -0.99 1.87 0.00 1.20 0.23 -1.26 -4.95 115.26 111.35 1f54 n ASN 24 Ca -0.19 -1.64 0.00 0.00 -0.53 0.00 0.00 54.58 52.23 1f54 n ASN 24 Cb 0.61 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1f54 n ASN 24 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1f54 n GLY 25 N -0.02 1.36 2.99 4.83 0.00 -1.26 -5.07 105.19 108.02 1f54 n GLY 25 Ca 0.03 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1f54 n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f54 s SER 26 N -2.15 0.34 0.03 1.61 1.04 -1.26 -2.84 113.70 110.47 1f54 s SER 26 Ca 0.00 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.96 1f54 s SER 26 Cb 0.00 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 1f54 s SER 26 CO 0.00 -0.26 -0.05 0.27 0.98 0.00 0.00 173.24 174.18 1f54 s ILE 27 N -1.36 0.26 0.53 -1.02 -4.36 -0.04 -4.28 121.20 110.93 1f54 s ILE 27 Ca -0.14 -0.91 -0.19 0.00 -0.26 0.00 0.00 60.65 59.15 1f54 s ILE 27 Cb -0.09 -0.37 -0.06 0.00 1.25 0.00 0.00 42.46 43.18 1f54 s ILE 27 CO -0.01 -0.42 1.07 -0.44 0.24 0.00 0.00 174.94 175.38 1f54 s SER 28 N -1.40 6.01 0.30 4.36 0.01 -1.26 0.14 113.70 121.85 1f54 s SER 28 Ca -0.13 1.99 0.03 0.00 1.31 0.00 0.00 55.95 59.15 1f54 s SER 28 Cb -0.09 -2.56 0.77 0.00 0.21 0.00 0.00 66.02 64.34 1f54 s SER 28 CO -0.00 -1.02 1.61 -1.28 0.41 0.00 0.00 173.24 172.96 1f54 h SER 29 N 1.19 -0.15 -0.94 2.44 0.87 -1.97 1.03 113.55 116.02 1f54 h SER 29 Ca -0.49 0.23 0.20 0.00 -1.23 0.00 0.00 61.79 60.50 1f54 h SER 29 Cb 1.23 0.34 -0.08 0.00 -0.44 0.00 0.00 62.40 63.46 1f54 h SER 29 CO 0.58 -0.25 0.61 0.28 -0.53 0.00 0.00 176.83 177.51 1f54 h SER 30 N 0.12 0.53 0.51 6.23 0.02 -1.93 0.64 113.55 119.66 1f54 h SER 30 Ca 0.59 0.06 -0.24 0.00 -0.84 0.00 0.00 61.79 61.36 1f54 h SER 30 Cb 1.24 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1f54 h SER 30 CO -0.76 0.21 -1.03 -0.33 -1.14 0.00 0.00 176.83 173.78 1f54 h GLU 31 N 0.52 0.30 -0.61 3.45 4.39 0.74 -3.28 114.58 120.10 1f54 h GLU 31 Ca 0.50 -0.39 0.05 0.00 0.34 0.00 0.00 59.36 59.87 1f54 h GLU 31 Cb 1.08 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.80 1f54 h GLU 31 CO -0.23 1.11 0.33 1.25 -1.16 0.00 0.00 179.01 180.31 1f54 h LEU 32 N 0.14 0.49 -0.91 1.33 5.85 -0.07 -1.40 115.31 120.73 1f54 h LEU 32 Ca -0.09 0.03 0.16 0.00 0.84 0.00 0.00 57.88 58.82 1f54 h LEU 32 Cb 1.70 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.57 1f54 h LEU 32 CO 0.17 0.32 0.51 0.00 -0.34 0.00 0.00 178.44 179.10 1f54 h ALA 33 N 1.32 1.43 0.21 1.25 0.00 -1.50 0.20 119.26 122.17 1f54 h ALA 33 Ca 0.27 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1f54 h ALA 33 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1f54 h ALA 33 CO -0.17 -0.06 -0.10 1.15 0.00 0.00 0.00 179.25 180.07 1f54 h THR 34 N 0.69 0.00 -1.51 0.00 2.02 -1.38 -2.70 112.91 110.04 1f54 h THR 34 Ca 0.51 -0.06 0.45 0.00 0.77 0.00 0.00 66.41 68.07 1f54 h THR 34 Cb 0.73 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.06 1f54 h THR 34 CO -0.37 0.00 1.06 -0.37 0.37 0.00 0.00 175.52 176.21 1f54 h VAL 35 N -0.34 0.20 0.81 3.16 -1.51 -1.23 0.18 116.25 117.52 1f54 h VAL 35 Ca -0.03 -0.02 -0.04 0.00 -1.23 0.00 0.00 66.70 65.39 1f54 h VAL 35 Cb 0.21 0.15 0.01 0.00 -2.13 0.00 0.00 31.29 29.53 1f54 h VAL 35 CO 0.05 0.01 -0.39 -0.03 -1.23 0.00 0.00 177.57 175.97 1f54 h MET 36 N 0.05 -1.05 0.00 5.19 4.05 -0.69 -2.35 114.93 120.13 1f54 h MET 36 Ca 0.77 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 60.26 1f54 h MET 36 Cb 2.86 0.24 0.00 0.00 -0.80 0.00 0.00 31.60 33.89 1f54 h MET 36 CO -0.12 -0.70 0.00 0.00 0.23 0.00 0.00 176.91 176.31 1f54 h ARG 37 N -1.11 0.00 -0.09 0.39 3.08 -0.73 -2.98 114.38 112.95 1f54 h ARG 37 Ca -0.11 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.81 1f54 h ARG 37 Cb 0.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1f54 h ARG 37 CO 0.18 0.00 -0.51 0.77 -1.07 0.00 0.00 179.97 179.34 1f54 h SER 38 N 0.00 0.27 0.23 7.04 0.02 -0.48 -2.90 113.55 117.73 1f54 h SER 38 Ca 0.00 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1f54 h SER 38 Cb 0.51 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1f54 h SER 38 CO 0.00 0.74 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.14 1f54 h LEU 39 N 0.20 0.00 0.00 5.07 3.38 -1.26 -3.45 115.31 119.25 1f54 h LEU 39 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1f54 h LEU 39 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1f54 h LEU 39 CO 0.08 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.44 1f54 n GLY 40 N -0.88 0.55 3.28 0.83 0.00 -1.10 -5.12 105.19 102.75 1f54 n GLY 40 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1f54 n GLY 40 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1f54 s LEU 41 N 0.00 1.51 -0.38 0.99 2.34 -1.22 -5.07 118.68 116.85 1f54 s LEU 41 Ca 0.00 -1.53 -0.01 0.00 0.06 0.00 0.00 54.13 52.66 1f54 s LEU 41 Cb 0.00 0.32 0.19 0.00 -0.56 0.00 0.00 46.19 46.14 1f54 s LEU 41 CO 0.00 -0.89 0.86 -0.55 -1.06 0.00 0.00 176.35 174.71 1f54 s SER 42 N -3.30 -0.91 0.00 1.48 0.15 -1.26 -4.13 113.70 105.73 1f54 s SER 42 Ca 0.38 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1f54 s SER 42 Cb 0.05 1.17 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 1f54 s SER 42 CO 0.17 -0.08 0.00 -0.81 1.20 0.00 0.00 173.24 173.72 1f54 n PRO 43 N 3.73 1.09 -4.43 5.44 -0.04 -1.26 -5.08 135.00 134.45 1f54 n PRO 43 Ca 0.10 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 1f54 n PRO 43 Cb 0.60 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.96 1f54 n PRO 43 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1f54 s SER 44 N -1.41 2.92 0.08 3.54 1.04 -1.26 -5.00 113.70 113.61 1f54 s SER 44 Ca 0.00 -1.13 -0.17 0.00 0.48 0.00 0.00 55.95 55.13 1f54 s SER 44 Cb 0.00 -0.20 -0.05 0.00 0.10 0.00 0.00 66.02 65.88 1f54 s SER 44 CO 0.00 -0.24 1.29 -0.33 0.98 0.00 0.00 173.24 174.94 1f54 h GLU 45 N 2.32 -0.11 -0.87 4.02 3.07 -1.99 0.21 114.58 121.24 1f54 h GLU 45 Ca -0.40 0.01 0.20 0.00 -0.50 0.00 0.00 59.36 58.68 1f54 h GLU 45 Cb 1.24 0.03 -0.16 0.00 -0.84 0.00 0.00 28.75 29.01 1f54 h GLU 45 CO 0.65 -0.07 -0.05 0.00 -1.40 0.00 0.00 179.01 178.14 1f54 h ALA 46 N -0.43 0.85 -0.45 3.43 0.00 -2.00 1.14 119.26 121.81 1f54 h ALA 46 Ca 0.06 0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1f54 h ALA 46 Cb 0.27 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1f54 h ALA 46 CO -0.40 -0.46 0.28 1.49 0.00 0.00 0.00 179.25 180.16 1f54 h GLU 47 N 0.05 0.60 -0.18 0.00 4.22 -1.10 -2.44 114.58 115.73 1f54 h GLU 47 Ca 0.48 -0.04 -0.13 0.00 0.08 0.00 0.00 59.36 59.75 1f54 h GLU 47 Cb 0.86 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1f54 h GLU 47 CO -0.81 0.41 -0.38 0.28 -2.18 0.00 0.00 179.01 176.33 1f54 h VAL 48 N 0.61 1.34 -0.34 0.32 2.07 0.37 -0.42 116.25 120.19 1f54 h VAL 48 Ca 0.16 -1.62 0.07 0.00 0.82 0.00 0.00 66.70 66.13 1f54 h VAL 48 Cb -0.04 1.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 1f54 h VAL 48 CO -0.03 0.50 -0.05 -1.13 0.02 0.00 0.00 177.57 176.87 1f54 h ASN 49 N 0.23 -0.25 -0.20 0.57 -1.24 -0.52 0.27 115.58 114.45 1f54 h ASN 49 Ca 0.00 0.09 -0.21 0.00 0.71 0.00 0.00 56.30 56.90 1f54 h ASN 49 Cb 0.98 0.19 0.01 0.00 0.73 0.00 0.00 38.32 40.22 1f54 h ASN 49 CO 0.08 -0.09 -0.68 0.44 -1.29 0.00 0.00 177.43 175.90 1f54 h ASP 50 N 0.03 0.94 -0.88 1.15 3.32 -1.51 -0.54 116.42 118.92 1f54 h ASP 50 Ca 0.17 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1f54 h ASP 50 Cb 0.25 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1f54 h ASP 50 CO -0.33 1.37 0.56 0.25 -1.72 0.00 0.00 179.24 179.38 1f54 h LEU 51 N 0.55 1.03 0.01 1.55 5.85 -0.52 -1.99 115.31 121.79 1f54 h LEU 51 Ca -0.03 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1f54 h LEU 51 Cb 1.31 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1f54 h LEU 51 CO 0.14 0.77 -0.00 -0.03 -0.34 0.00 0.00 178.44 178.98 1f54 h MET 52 N 1.21 -0.01 -0.53 1.25 4.05 -0.45 -3.26 114.93 117.17 1f54 h MET 52 Ca 0.32 0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.90 1f54 h MET 52 Cb -0.10 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.68 1f54 h MET 52 CO -0.07 0.54 0.69 -0.91 0.23 0.00 0.00 176.91 177.39 1f54 h ASN 53 N -0.99 0.00 1.05 1.39 4.21 -1.07 1.97 115.58 122.14 1f54 h ASN 53 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1f54 h ASN 53 Cb 0.56 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 1f54 h ASN 53 CO 0.00 0.00 0.00 -0.08 -1.29 0.00 0.00 177.43 176.06 1f54 h GLU 54 N 0.00 0.00 0.00 0.81 4.81 -1.40 -3.37 114.58 115.43 1f54 h GLU 54 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1f54 h GLU 54 Cb 1.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.02 1f54 h GLU 54 CO -0.00 0.00 -0.31 1.51 -0.73 0.00 0.00 179.01 179.47 1f54 n ILE 55 N -2.45 0.00 -1.50 2.32 3.06 0.44 -4.97 119.36 116.27 1f54 n ILE 55 Ca 0.03 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.14 1f54 n ILE 55 Cb 0.31 -0.19 -0.10 0.00 0.54 0.00 0.00 39.64 40.20 1f54 n ILE 55 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1f54 n ASP 56 N -1.66 0.72 -4.64 9.51 2.03 0.56 -4.85 116.55 118.23 1f54 n ASP 56 Ca 0.00 -1.60 -0.43 0.00 0.52 0.00 0.00 54.79 53.28 1f54 n ASP 56 Cb 0.16 -1.38 -0.02 0.00 -0.72 0.00 0.00 41.12 39.15 1f54 n ASP 56 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1f54 s VAL 57 N 11.56 3.94 0.00 5.18 1.01 -1.26 -4.77 120.40 136.06 1f54 s VAL 57 Ca 0.87 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1f54 s VAL 57 Cb -0.22 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1f54 s VAL 57 CO 0.19 -0.29 0.00 -0.67 0.00 0.00 0.00 175.10 174.32 1f54 n ASP 58 N 7.69 0.00 0.00 3.32 2.03 -1.26 -4.32 116.55 124.01 1f54 n ASP 58 Ca 0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1f54 n ASP 58 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1f54 n GLY 59 N 0.00 -2.43 1.05 0.27 0.00 -1.26 -4.94 105.19 97.88 1f54 n GLY 59 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1f54 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f54 n ASN 60 N 0.00 1.24 -3.59 1.61 4.13 -1.26 -4.99 115.26 112.41 1f54 n ASN 60 Ca 0.00 -1.49 0.02 0.00 1.68 0.00 0.00 54.58 54.79 1f54 n ASN 60 Cb 0.00 -0.04 -0.00 0.00 -1.54 0.00 0.00 39.78 38.20 1f54 n ASN 60 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 1f54 s HIS 61 N -0.54 -0.03 -0.38 3.10 -3.43 -1.26 -4.59 115.29 108.16 1f54 s HIS 61 Ca 0.11 -0.03 -0.12 0.00 -0.80 0.00 0.00 55.06 54.21 1f54 s HIS 61 Cb -0.01 0.53 0.02 0.00 -1.43 0.00 0.00 32.58 31.68 1f54 s HIS 61 CO 0.07 -0.15 0.23 -0.65 -2.00 0.00 0.00 174.74 172.24 1f54 s GLN 62 N -2.24 3.00 0.43 -0.38 -0.21 -1.26 -3.85 119.66 115.16 1f54 s GLN 62 Ca 0.14 -0.98 -0.21 0.00 0.02 0.00 0.00 55.36 54.34 1f54 s GLN 62 Cb 0.06 -3.80 -0.11 0.00 1.00 0.00 0.00 33.01 30.16 1f54 s GLN 62 CO -0.05 -0.66 0.96 0.42 -2.12 0.00 0.00 175.29 173.84 1f54 s ILE 63 N 1.62 4.29 -0.10 1.08 1.01 0.12 -4.81 121.20 124.41 1f54 s ILE 63 Ca 0.04 1.45 0.02 0.00 0.00 0.00 0.00 60.65 62.15 1f54 s ILE 63 Cb -0.19 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 1f54 s ILE 63 CO 0.08 -0.29 -0.15 -1.61 0.00 0.00 0.00 174.94 172.98 1f54 s GLU 64 N -3.13 3.02 0.35 2.79 0.41 -1.26 -0.86 118.70 120.01 1f54 s GLU 64 Ca 0.62 -0.72 0.17 0.00 -0.41 0.00 0.00 54.97 54.63 1f54 s GLU 64 Cb -0.11 -2.49 1.18 0.00 -1.78 0.00 0.00 34.13 30.93 1f54 s GLU 64 CO 0.15 0.36 1.63 0.35 -0.49 0.00 0.00 175.26 177.26 1f54 h PHE 65 N 6.21 0.87 0.00 1.61 3.57 -1.92 0.27 116.94 127.55 1f54 h PHE 65 Ca -0.32 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1f54 h PHE 65 Cb 1.19 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1f54 h PHE 65 CO 0.49 -0.29 0.00 0.43 -2.23 0.00 0.00 178.31 176.71 1f54 n SER 66 N -5.14 0.00 -0.35 0.41 7.64 -1.26 -2.14 113.62 112.78 1f54 n SER 66 Ca 0.34 0.53 0.25 0.00 1.01 0.00 0.00 58.87 61.00 1f54 n SER 66 Cb 1.09 -0.04 0.50 0.00 -1.01 0.00 0.00 64.21 64.74 1f54 n SER 66 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1f54 h GLU 67 N 0.00 0.31 -0.05 1.43 4.22 -1.89 0.23 114.58 118.83 1f54 h GLU 67 Ca 0.00 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.44 1f54 h GLU 67 Cb 0.00 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1f54 h GLU 67 CO 0.00 0.20 -0.34 0.35 -2.18 0.00 0.00 179.01 177.04 1f54 h PHE 68 N 0.31 -1.02 -0.17 0.92 3.57 -0.41 -0.81 116.94 119.34 1f54 h PHE 68 Ca 0.73 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 62.10 1f54 h PHE 68 Cb 1.75 0.45 -0.01 0.00 2.79 0.00 0.00 35.95 40.94 1f54 h PHE 68 CO -0.01 -0.35 -0.58 -0.07 -2.23 0.00 0.00 178.31 175.07 1f54 h LEU 69 N -0.39 0.61 -1.99 0.59 4.07 -0.72 -0.68 115.31 116.79 1f54 h LEU 69 Ca 0.01 -0.34 0.18 0.00 0.08 0.00 0.00 57.88 57.82 1f54 h LEU 69 Cb 0.44 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.98 1f54 h LEU 69 CO -0.26 1.05 0.51 0.00 -1.08 0.00 0.00 178.44 178.66 1f54 h ALA 70 N 0.96 2.51 0.00 1.53 0.00 -0.17 -1.53 119.26 122.56 1f54 h ALA 70 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 1f54 h ALA 70 Cb 1.13 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1f54 h ALA 70 CO 0.11 -0.83 -2.13 1.28 0.00 0.00 0.00 179.25 177.67 1f54 n LEU 71 N -4.12 0.00 0.25 0.00 4.32 -0.35 -4.36 117.00 112.75 1f54 n LEU 71 Ca 0.12 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.21 1f54 n LEU 71 Cb 0.75 0.39 0.66 0.00 -1.62 0.00 0.00 43.42 43.60 1f54 n LEU 71 CO 0.35 0.39 0.99 -0.03 -1.22 0.00 0.00 177.39 177.86 1f54 h MET 72 N 0.00 0.00 0.00 3.23 4.05 -0.17 -1.64 114.93 120.40 1f54 h MET 72 Ca -0.43 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 1f54 h MET 72 Cb 1.95 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.75 1f54 h MET 72 CO 0.02 0.11 0.09 1.03 0.23 0.00 0.00 176.91 178.39 1f54 h SER 73 N 0.00 0.00 -0.01 1.39 0.87 -1.55 0.91 113.55 115.17 1f54 h SER 73 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1f54 h SER 73 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1f54 h SER 73 CO 0.01 0.00 0.00 -1.14 -0.53 0.00 0.00 176.83 175.17 1f54 n ARG 74 N -2.33 1.03 -2.72 2.24 0.63 -0.62 -3.71 116.66 111.19 1f54 n ARG 74 Ca -0.02 -0.05 -0.05 0.00 -0.92 0.00 0.00 57.85 56.82 1f54 n ARG 74 Cb 0.13 -1.16 0.07 0.00 0.45 0.00 0.00 32.46 31.95 1f54 n ARG 74 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1f54 n GLN 75 N -0.61 1.36 -3.75 -0.14 3.00 0.31 -5.09 117.38 112.46 1f54 n GLN 75 Ca 0.08 -2.71 -0.13 0.00 -0.01 0.00 0.00 57.00 54.24 1f54 n GLN 75 Cb 0.05 -0.83 -0.13 0.00 0.00 0.00 0.00 30.24 29.33 1f54 n GLN 75 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1f54 s LEU 76 N -3.50 0.69 0.00 1.08 0.20 -1.24 -5.10 118.68 110.81 1f54 s LEU 76 Ca 0.23 0.48 0.25 0.00 0.69 0.00 0.00 54.13 55.78 1f54 s LEU 76 Cb 0.41 0.72 0.42 0.00 -0.43 0.00 0.00 46.19 47.30 1f54 s LEU 76 CO -0.04 -0.13 1.39 1.17 -0.29 0.00 0.00 176.35 178.45