#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f54 n SER 2 N 0.00 -2.20 -0.08 -3.46 3.41 -1.26 -4.82 113.62 105.20 1f54 n SER 2 Ca 0.00 -0.99 0.05 0.00 -0.26 0.00 0.00 58.87 57.67 1f54 n SER 2 Cb 0.00 -2.97 0.07 0.00 -0.26 0.00 0.00 64.21 61.05 1f54 n SER 2 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1f54 n ASN 3 N -2.81 1.80 -1.04 4.04 0.23 -1.26 -4.68 115.26 111.54 1f54 n ASN 3 Ca -0.09 -2.43 0.13 0.00 -0.53 0.00 0.00 54.58 51.66 1f54 n ASN 3 Cb 0.58 -0.22 -0.05 0.00 -2.08 0.00 0.00 39.78 38.00 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1f54 n LEU 4 N -0.85 -0.66 0.00 -4.53 7.94 -1.26 -5.07 117.00 112.57 1f54 n LEU 4 Ca 0.07 1.52 0.00 0.00 -1.11 0.00 0.00 56.01 56.50 1f54 n LEU 4 Cb 0.50 -3.08 0.00 0.00 0.53 0.00 0.00 43.42 41.37 1f54 n LEU 4 CO 0.00 -2.02 0.00 0.41 -1.11 0.00 0.00 177.39 174.68 1f54 n THR 5 N -3.78 0.00 -0.12 1.96 -1.04 -1.26 -4.96 114.28 105.08 1f54 n THR 5 Ca -0.04 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.87 1f54 n THR 5 Cb 0.49 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.97 1f54 n THR 5 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1f54 h GLU 6 N 0.00 0.62 -0.43 -2.82 4.11 -2.00 -2.34 114.58 111.72 1f54 h GLU 6 Ca 0.00 -0.20 -0.12 0.00 0.07 0.00 0.00 59.36 59.11 1f54 h GLU 6 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1f54 h GLU 6 CO 0.00 0.73 -0.20 0.93 0.07 0.00 0.00 179.01 180.54 1f54 h GLU 7 N 0.43 0.86 0.32 1.06 4.39 -2.00 -2.54 114.58 117.10 1f54 h GLU 7 Ca 0.10 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1f54 h GLU 7 Cb 0.45 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1f54 h GLU 7 CO 0.02 0.99 -0.23 0.37 -1.16 0.00 0.00 179.01 179.00 1f54 h GLN 8 N 0.75 -0.53 -0.77 2.33 5.75 -1.90 -1.82 115.11 118.92 1f54 h GLN 8 Ca 0.10 0.04 0.10 0.00 -0.15 0.00 0.00 58.65 58.75 1f54 h GLN 8 Cb 0.74 0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.36 1f54 h GLN 8 CO 0.06 -0.35 0.51 0.82 -2.65 0.00 0.00 178.83 177.21 1f54 h ILE 9 N -0.55 0.92 0.54 2.39 2.04 -1.39 -2.27 117.51 119.18 1f54 h ILE 9 Ca -0.03 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1f54 h ILE 9 Cb 0.47 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1f54 h ILE 9 CO 0.00 0.12 -0.43 0.00 0.00 0.00 0.00 178.15 177.85 1f54 h ALA 10 N 1.62 -1.00 -0.75 1.87 0.00 -0.91 -1.01 119.26 119.08 1f54 h ALA 10 Ca 0.36 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.24 1f54 h ALA 10 Cb 0.52 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1f54 h ALA 10 CO -0.14 -1.09 0.50 0.93 0.00 0.00 0.00 179.25 179.45 1f54 h GLU 11 N -0.95 0.38 -0.47 0.00 4.39 -0.93 -0.52 114.58 116.49 1f54 h GLU 11 Ca -0.06 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1f54 h GLU 11 Cb 0.80 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1f54 h GLU 11 CO -0.00 0.25 0.14 0.74 -1.16 0.00 0.00 179.01 178.98 1f54 h PHE 12 N 0.39 0.77 0.01 4.33 -1.00 -0.76 -2.57 116.94 118.10 1f54 h PHE 12 Ca 0.37 -0.08 0.02 0.00 2.81 0.00 0.00 57.97 61.08 1f54 h PHE 12 Cb 0.87 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 40.19 1f54 h PHE 12 CO -0.00 0.68 -0.09 -0.22 -1.61 0.00 0.00 178.31 177.07 1f54 h LYS 13 N 0.63 -0.16 -0.99 1.51 3.64 0.16 0.11 116.57 121.46 1f54 h LYS 13 Ca 0.15 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.70 1f54 h LYS 13 Cb 0.28 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.04 1f54 h LYS 13 CO -0.00 -0.11 0.62 1.49 -2.27 0.00 0.00 179.45 179.18 1f54 h GLU 14 N -0.17 0.82 0.00 1.90 4.57 -1.37 0.11 114.58 120.45 1f54 h GLU 14 Ca 0.03 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1f54 h GLU 14 Cb 0.21 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1f54 h GLU 14 CO -0.09 0.54 0.00 0.00 -1.18 0.00 0.00 179.01 178.28 1f54 n ALA 15 N -2.35 -0.23 -0.32 2.92 0.00 -0.71 -0.84 120.51 118.97 1f54 n ALA 15 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.75 1f54 n ALA 15 Cb 0.48 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.14 1f54 n ALA 15 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1f54 h PHE 16 N 0.00 -0.19 0.00 0.00 3.57 -0.92 1.98 116.94 121.39 1f54 h PHE 16 Ca 0.00 0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1f54 h PHE 16 Cb 0.00 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1f54 h PHE 16 CO 0.10 -0.39 -0.05 0.00 -2.23 0.00 0.00 178.31 175.75 1f54 h ALA 17 N 1.92 1.01 0.00 2.41 0.00 -0.85 -2.62 119.26 121.13 1f54 h ALA 17 Ca 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1f54 h ALA 17 Cb 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1f54 h ALA 17 CO -0.89 0.06 0.00 1.25 0.00 0.00 0.00 179.25 179.68 1f54 h LEU 18 N 0.00 0.00 -1.49 0.00 6.46 0.52 -2.51 115.31 118.29 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 0.57 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1f54 h LEU 18 CO 0.01 0.00 0.00 0.49 -0.62 0.00 0.00 178.44 178.32 1f54 n PHE 19 N -2.82 0.00 -2.56 1.25 3.01 -1.02 -4.91 117.46 110.42 1f54 n PHE 19 Ca -0.01 -0.14 -0.42 0.00 1.01 0.00 0.00 57.45 57.88 1f54 n PHE 19 Cb 0.14 -0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 39.60 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 -0.29 6.75 0.15 4.37 2.15 -0.95 -4.79 116.67 124.07 1f54 s ASP 20 Ca 0.00 -2.40 -0.16 0.00 0.43 0.00 0.00 52.55 50.42 1f54 s ASP 20 Cb 0.00 -2.58 0.05 0.00 -0.30 0.00 0.00 42.92 40.09 1f54 s ASP 20 CO 0.00 -1.26 1.76 0.50 -0.17 0.00 0.00 175.17 175.99 1f54 h LYS 21 N 7.71 0.29 -0.48 4.34 3.64 -1.86 -0.55 116.57 129.67 1f54 h LYS 21 Ca 0.43 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.94 1f54 h LYS 21 Cb 0.88 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1f54 h LYS 21 CO 1.45 0.19 0.76 0.22 -2.27 0.00 0.00 179.45 179.80 1f54 h ASP 22 N 0.30 0.00 -0.85 4.20 3.58 -1.87 -3.43 116.42 118.35 1f54 h ASP 22 Ca 0.16 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.31 1f54 h ASP 22 Cb 0.12 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.06 1f54 h ASP 22 CO -0.15 0.00 -0.29 -3.20 -2.88 0.00 0.00 179.24 172.73 1f54 n ASN 23 N -3.24 -4.75 -1.12 2.28 5.15 -0.21 -4.86 115.26 108.51 1f54 n ASN 23 Ca 0.10 0.33 -0.04 0.00 -0.60 0.00 0.00 54.58 54.36 1f54 n ASN 23 Cb 0.93 -3.59 0.18 0.00 -0.53 0.00 0.00 39.78 36.77 1f54 n ASN 23 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1f54 n ASN 24 N -0.43 2.63 -2.52 1.20 3.02 -1.26 -4.92 115.26 112.98 1f54 n ASN 24 Ca -0.15 -3.83 -0.21 0.00 -0.03 0.00 0.00 54.58 50.36 1f54 n ASN 24 Cb 0.50 -0.58 0.01 0.00 -0.61 0.00 0.00 39.78 39.09 1f54 n ASN 24 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f54 n GLY 25 N -1.08 -0.47 2.92 7.41 0.00 -1.26 -4.97 105.19 107.74 1f54 n GLY 25 Ca 0.31 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.31 -0.08 0.36 1.61 1.04 -1.26 -1.95 113.70 111.12 1f54 s SER 26 Ca 0.10 0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.77 1f54 s SER 26 Cb -0.04 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 1f54 s SER 26 CO 0.13 -0.08 0.07 0.27 0.98 0.00 0.00 173.24 174.60 1f54 s ILE 27 N 0.56 1.12 0.18 -1.02 -4.36 -0.06 -4.52 121.20 113.11 1f54 s ILE 27 Ca -0.04 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.29 1f54 s ILE 27 Cb -0.06 -2.67 -0.06 0.00 1.25 0.00 0.00 42.46 40.92 1f54 s ILE 27 CO -0.02 0.00 0.44 -0.44 0.24 0.00 0.00 174.94 175.15 1f54 s SER 28 N -3.56 6.51 0.28 4.36 0.01 -1.26 0.23 113.70 120.27 1f54 s SER 28 Ca 0.31 0.66 -0.02 0.00 1.31 0.00 0.00 55.95 58.22 1f54 s SER 28 Cb 0.07 -2.12 0.61 0.00 0.21 0.00 0.00 66.02 64.79 1f54 s SER 28 CO 0.15 -0.01 1.60 -1.28 0.41 0.00 0.00 173.24 174.11 1f54 h SER 29 N 2.57 -0.40 -0.92 2.44 0.87 -1.82 1.10 113.55 117.39 1f54 h SER 29 Ca -0.46 0.24 0.20 0.00 -1.23 0.00 0.00 61.79 60.54 1f54 h SER 29 Cb 1.17 0.42 -0.07 0.00 -0.44 0.00 0.00 62.40 63.48 1f54 h SER 29 CO 0.71 -0.27 0.60 -1.28 -0.53 0.00 0.00 176.83 176.06 1f54 h SER 30 N 0.07 0.47 0.75 6.23 0.87 -1.93 0.52 113.55 120.53 1f54 h SER 30 Ca 0.52 0.05 -0.25 0.00 -1.23 0.00 0.00 61.79 60.87 1f54 h SER 30 Cb 1.00 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 1f54 h SER 30 CO -0.80 0.19 -1.16 -0.33 -0.53 0.00 0.00 176.83 174.19 1f54 h GLU 31 N 0.47 0.19 -0.91 2.24 4.39 0.82 -3.28 114.58 118.50 1f54 h GLU 31 Ca 0.48 -0.32 0.08 0.00 0.34 0.00 0.00 59.36 59.95 1f54 h GLU 31 Cb 1.12 0.12 -0.06 0.00 -0.10 0.00 0.00 28.75 29.82 1f54 h GLU 31 CO -0.21 1.15 0.59 1.25 -1.16 0.00 0.00 179.01 180.63 1f54 h LEU 32 N 0.05 0.87 -0.73 1.33 5.85 0.43 -1.28 115.31 121.83 1f54 h LEU 32 Ca -0.09 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1f54 h LEU 32 Cb 1.91 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.72 1f54 h LEU 32 CO 0.18 0.53 0.44 0.00 -0.34 0.00 0.00 178.44 179.25 1f54 h ALA 33 N 1.53 0.98 0.38 1.25 0.00 -1.52 -0.87 119.26 121.01 1f54 h ALA 33 Ca 0.41 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1f54 h ALA 33 Cb 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1f54 h ALA 33 CO -0.17 0.16 -0.18 1.15 0.00 0.00 0.00 179.25 180.21 1f54 h THR 34 N 0.82 0.00 -1.38 0.00 2.02 -1.38 -2.64 112.91 110.34 1f54 h THR 34 Ca 0.31 -0.07 0.42 0.00 0.77 0.00 0.00 66.41 67.84 1f54 h THR 34 Cb 0.13 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.44 1f54 h THR 34 CO -0.16 0.00 0.94 -0.37 0.37 0.00 0.00 175.52 176.31 1f54 h VAL 35 N -0.59 0.22 0.86 3.16 -1.51 -1.39 0.18 116.25 117.18 1f54 h VAL 35 Ca -0.05 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.34 1f54 h VAL 35 Cb 0.40 0.11 0.01 0.00 -2.13 0.00 0.00 31.29 29.67 1f54 h VAL 35 CO 0.09 0.02 -0.43 -0.03 -1.23 0.00 0.00 177.57 175.99 1f54 h MET 36 N 0.10 -1.13 0.00 5.19 4.05 -0.82 -2.35 114.93 119.97 1f54 h MET 36 Ca 0.76 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 60.26 1f54 h MET 36 Cb 2.59 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 33.65 1f54 h MET 36 CO -0.23 -0.75 0.00 -0.09 0.23 0.00 0.00 176.91 176.06 1f54 h ARG 37 N -1.18 0.00 -0.16 0.39 2.43 -0.73 -2.92 114.38 112.22 1f54 h ARG 37 Ca -0.12 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.94 1f54 h ARG 37 Cb 0.91 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1f54 h ARG 37 CO 0.18 0.00 -0.41 1.03 -1.51 0.00 0.00 179.97 179.26 1f54 h SER 38 N 0.00 0.38 0.24 -3.80 0.87 -0.40 -2.74 113.55 108.10 1f54 h SER 38 Ca 0.00 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 1f54 h SER 38 Cb 0.48 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1f54 h SER 38 CO 0.00 0.75 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.84 1f54 h LEU 39 N 0.30 0.00 0.00 2.23 3.38 -1.22 -3.44 115.31 116.55 1f54 h LEU 39 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1f54 h LEU 39 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1f54 h LEU 39 CO 0.07 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.35 1f54 n GLY 40 N -0.90 0.42 1.48 0.83 0.00 -1.04 -5.13 105.19 100.84 1f54 n GLY 40 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 1f54 n GLY 40 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1f54 n LEU 41 N 0.00 0.00 -2.83 0.99 -0.00 -1.15 -5.06 117.00 108.95 1f54 n LEU 41 Ca 0.00 -1.36 -0.00 0.00 -0.00 0.00 0.00 56.01 54.64 1f54 n LEU 41 Cb 0.00 0.93 0.01 0.00 -0.00 0.00 0.00 43.42 44.36 1f54 n LEU 41 CO 0.00 -0.26 0.36 -0.55 -0.00 0.00 0.00 177.39 176.93 1f54 s SER 42 N -2.02 -0.69 0.00 1.45 0.15 -1.26 -4.12 113.70 107.22 1f54 s SER 42 Ca 0.16 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1f54 s SER 42 Cb 0.00 0.89 0.00 0.00 -1.71 0.00 0.00 66.02 65.20 1f54 s SER 42 CO 0.11 -0.06 0.00 -0.81 1.20 0.00 0.00 173.24 173.69 1f54 n PRO 43 N 3.46 1.06 -4.15 5.44 -0.04 -1.26 -5.10 135.00 134.41 1f54 n PRO 43 Ca 0.10 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.42 1f54 n PRO 43 Cb 0.62 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.01 1f54 n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1f54 s SER 44 N -1.39 0.70 0.16 3.54 0.01 -1.26 -5.00 113.70 110.46 1f54 s SER 44 Ca 0.00 -1.43 -0.29 0.00 1.31 0.00 0.00 55.95 55.54 1f54 s SER 44 Cb 0.00 0.54 -0.03 0.00 0.21 0.00 0.00 66.02 66.75 1f54 s SER 44 CO 0.00 -1.08 1.55 -0.08 0.41 0.00 0.00 173.24 174.04 1f54 h GLU 45 N 2.29 -0.17 -0.64 12.44 4.57 -1.99 0.23 114.58 131.32 1f54 h GLU 45 Ca -0.29 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.00 1f54 h GLU 45 Cb 1.24 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.76 1f54 h GLU 45 CO 0.42 -0.11 -0.41 0.00 -1.18 0.00 0.00 179.01 177.73 1f54 h ALA 46 N 0.45 -0.21 -0.71 2.92 0.00 -2.00 0.84 119.26 120.56 1f54 h ALA 46 Ca 0.16 0.14 0.18 0.00 0.00 0.00 0.00 54.91 55.39 1f54 h ALA 46 Cb 0.52 0.93 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1f54 h ALA 46 CO -0.79 -0.77 0.49 1.49 0.00 0.00 0.00 179.25 179.68 1f54 h GLU 47 N -0.18 0.18 -0.06 0.00 4.22 -1.39 -1.21 114.58 116.13 1f54 h GLU 47 Ca 0.21 -0.01 -0.11 0.00 0.08 0.00 0.00 59.36 59.53 1f54 h GLU 47 Cb 0.56 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1f54 h GLU 47 CO -0.73 0.12 -0.38 0.28 -2.18 0.00 0.00 179.01 176.12 1f54 h VAL 48 N 0.18 1.42 -0.86 0.32 2.07 0.18 0.47 116.25 120.03 1f54 h VAL 48 Ca 0.34 -1.80 0.15 0.00 0.82 0.00 0.00 66.70 66.21 1f54 h VAL 48 Cb 1.10 2.36 -0.09 0.00 -1.52 0.00 0.00 31.29 33.13 1f54 h VAL 48 CO -0.06 0.52 0.45 -1.13 0.02 0.00 0.00 177.57 177.37 1f54 h ASN 49 N -0.11 0.55 0.14 0.57 -1.24 0.27 0.28 115.58 116.04 1f54 h ASN 49 Ca -0.03 0.09 -0.22 0.00 0.71 0.00 0.00 56.30 56.86 1f54 h ASN 49 Cb 1.05 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.12 1f54 h ASN 49 CO 0.08 0.23 -0.99 0.44 -1.29 0.00 0.00 177.43 175.90 1f54 h ASP 50 N 0.64 0.46 -0.70 1.15 5.19 -1.50 -2.34 116.42 119.33 1f54 h ASP 50 Ca 0.47 -0.93 0.06 0.00 -0.62 0.00 0.00 57.03 56.01 1f54 h ASP 50 Cb 0.66 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 39.98 1f54 h ASP 50 CO -0.36 1.46 0.46 0.25 -3.12 0.00 0.00 179.24 177.93 1f54 h LEU 51 N -0.34 0.64 0.01 1.55 5.85 -0.40 -2.02 115.31 120.61 1f54 h LEU 51 Ca -0.19 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1f54 h LEU 51 Cb 1.69 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1f54 h LEU 51 CO 0.13 0.42 -0.01 0.24 -0.34 0.00 0.00 178.44 178.89 1f54 h MET 52 N 0.74 -0.02 -0.45 1.25 2.86 -0.55 -3.27 114.93 115.49 1f54 h MET 52 Ca 0.30 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 58.07 1f54 h MET 52 Cb 0.23 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1f54 h MET 52 CO -0.10 0.34 0.74 -0.91 1.06 0.00 0.00 176.91 178.04 1f54 h ASN 53 N -1.00 0.00 0.11 1.22 4.21 -1.32 2.55 115.58 121.36 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 0.36 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1f54 h ASN 53 CO 0.00 0.00 -0.04 -0.62 -1.29 0.00 0.00 177.43 175.49 1f54 n GLU 54 N -3.22 1.10 0.00 0.81 4.71 -0.77 -4.53 120.64 118.75 1f54 n GLU 54 Ca 0.09 -0.38 0.00 0.00 -0.01 0.00 0.00 57.16 56.86 1f54 n GLU 54 Cb 0.90 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.84 1f54 n GLU 54 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 1f54 n ILE 55 N -0.62 0.00 -1.73 -3.67 3.06 0.69 -5.09 119.36 112.00 1f54 n ILE 55 Ca 0.19 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 60.02 1f54 n ILE 55 Cb 0.24 -0.14 -0.03 0.00 0.54 0.00 0.00 39.64 40.26 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 -2.08 3.88 0.00 9.51 -0.08 0.70 -4.87 116.55 123.61 1f54 n ASP 56 Ca 0.00 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.38 1f54 n ASP 56 Cb 0.00 -1.57 0.00 0.00 2.34 0.00 0.00 41.12 41.89 1f54 n ASP 56 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1f54 n VAL 57 N 3.21 0.45 0.00 5.18 3.14 -1.26 -4.58 118.33 124.47 1f54 n VAL 57 Ca 0.13 -0.63 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1f54 n VAL 57 Cb 0.35 0.86 0.00 0.00 -1.06 0.00 0.00 33.84 33.99 1f54 n VAL 57 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1f54 n ASP 58 N -0.23 -0.04 0.00 6.55 2.03 -1.26 -5.10 116.55 118.50 1f54 n ASP 58 Ca 0.00 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1f54 n ASP 58 Cb 0.19 0.46 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 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 -1.08 -2.27 2.50 0.27 0.00 -1.26 -4.97 105.19 98.38 1f54 n GLY 59 Ca 0.00 0.75 -0.36 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.13 7.62 -4.56 1.61 4.13 -1.26 -4.64 115.26 117.03 1f54 n ASN 60 Ca 0.00 -3.78 -0.31 0.00 1.68 0.00 0.00 54.58 52.17 1f54 n ASN 60 Cb 0.00 -1.01 0.17 0.00 -1.54 0.00 0.00 39.78 37.40 1f54 n ASN 60 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1f54 n HIS 61 N -0.75 -0.08 -3.09 3.10 1.44 -1.26 -4.79 115.22 109.78 1f54 n HIS 61 Ca 0.59 0.28 -0.44 0.00 -2.01 0.00 0.00 57.72 56.14 1f54 n HIS 61 Cb 0.53 -1.89 -0.05 0.00 0.12 0.00 0.00 29.99 28.69 1f54 n HIS 61 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1f54 s GLN 62 N -4.31 3.10 0.67 -1.40 -0.21 -1.26 -3.74 119.66 112.52 1f54 s GLN 62 Ca 0.64 -1.01 -0.14 0.00 0.02 0.00 0.00 55.36 54.87 1f54 s GLN 62 Cb -0.22 -4.17 0.00 0.00 1.00 0.00 0.00 33.01 29.62 1f54 s GLN 62 CO 0.62 -1.41 1.10 0.42 -2.12 0.00 0.00 175.29 173.90 1f54 s ILE 63 N 2.86 3.32 -0.10 1.08 1.01 0.64 -4.77 121.20 125.25 1f54 s ILE 63 Ca 0.15 0.59 0.04 0.00 0.00 0.00 0.00 60.65 61.43 1f54 s ILE 63 Cb -0.20 -3.11 -0.00 0.00 0.01 0.00 0.00 42.46 39.15 1f54 s ILE 63 CO 0.10 -0.41 -0.24 -1.61 0.00 0.00 0.00 174.94 172.79 1f54 s GLU 64 N -4.21 3.06 0.39 2.79 2.02 -1.26 -0.88 118.70 120.61 1f54 s GLU 64 Ca 0.66 -0.87 0.22 0.00 0.02 0.00 0.00 54.97 55.00 1f54 s GLU 64 Cb -0.20 -2.31 1.28 0.00 0.10 0.00 0.00 34.13 33.00 1f54 s GLU 64 CO 0.43 0.18 1.63 0.35 0.02 0.00 0.00 175.26 177.87 1f54 h PHE 65 N 6.71 0.74 0.00 1.61 3.57 -1.77 0.24 116.94 128.05 1f54 h PHE 65 Ca -0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1f54 h PHE 65 Cb 1.24 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1f54 h PHE 65 CO 0.47 -0.25 0.00 0.43 -2.23 0.00 0.00 178.31 176.73 1f54 n SER 66 N -4.95 0.00 -0.30 0.41 7.64 -1.26 -2.29 113.62 112.87 1f54 n SER 66 Ca 0.35 0.68 0.10 0.00 1.01 0.00 0.00 58.87 61.01 1f54 n SER 66 Cb 1.22 -0.18 0.27 0.00 -1.01 0.00 0.00 64.21 64.50 1f54 n SER 66 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1f54 h GLU 67 N 0.00 0.48 -0.60 1.43 4.11 -1.85 0.89 114.58 119.05 1f54 h GLU 67 Ca 0.00 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.46 1f54 h GLU 67 Cb 0.00 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.06 1f54 h GLU 67 CO 0.00 0.32 -0.49 0.35 0.07 0.00 0.00 179.01 179.26 1f54 h PHE 68 N 0.50 -1.53 -0.09 2.06 3.57 -0.51 0.44 116.94 121.38 1f54 h PHE 68 Ca 0.51 0.09 -0.08 0.00 3.53 0.00 0.00 57.97 62.02 1f54 h PHE 68 Cb 0.87 0.75 0.00 0.00 2.79 0.00 0.00 35.95 40.35 1f54 h PHE 68 CO -0.12 -0.37 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.27 1f54 h LEU 69 N -0.17 0.38 -1.43 0.59 4.07 -0.95 -0.08 115.31 117.73 1f54 h LEU 69 Ca 0.10 -0.60 0.20 0.00 0.08 0.00 0.00 57.88 57.66 1f54 h LEU 69 Cb 0.43 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 1f54 h LEU 69 CO -0.65 0.91 0.87 0.00 -1.08 0.00 0.00 178.44 178.49 1f54 h ALA 70 N 0.47 2.52 0.00 1.53 0.00 -0.20 0.82 119.26 124.40 1f54 h ALA 70 Ca -0.01 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.57 1f54 h ALA 70 Cb 0.88 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1f54 h ALA 70 CO 0.06 -1.23 -2.18 1.28 0.00 0.00 0.00 179.25 177.18 1f54 n LEU 71 N -3.38 1.97 0.23 0.00 4.77 0.09 -4.39 117.00 116.29 1f54 n LEU 71 Ca 0.15 -0.08 0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1f54 n LEU 71 Cb 1.10 -0.35 0.77 0.00 -2.33 0.00 0.00 43.42 42.60 1f54 n LEU 71 CO 0.24 0.70 1.12 -0.03 -1.33 0.00 0.00 177.39 178.09 1f54 h MET 72 N 0.00 0.00 0.00 3.23 4.05 0.11 -1.07 114.93 121.25 1f54 h MET 72 Ca -0.46 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 1f54 h MET 72 Cb 1.83 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.63 1f54 h MET 72 CO -0.04 0.00 0.31 1.03 0.23 0.00 0.00 176.91 178.44 1f54 h SER 73 N 0.00 0.00 -1.93 1.39 0.87 -1.43 -3.34 113.55 109.10 1f54 h SER 73 Ca 0.05 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 60.01 1f54 h SER 73 Cb 0.22 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1f54 h SER 73 CO -0.00 0.00 1.33 -1.14 -0.53 0.00 0.00 176.83 176.49 1f54 n ARG 74 N -2.73 2.07 -2.12 2.24 0.63 -0.41 -1.17 116.66 115.17 1f54 n ARG 74 Ca -0.02 0.67 -0.16 0.00 -0.92 0.00 0.00 57.85 57.42 1f54 n ARG 74 Cb 0.35 -2.92 -0.03 0.00 0.45 0.00 0.00 32.46 30.31 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 7.89 -1.79 -2.50 -0.14 6.02 -1.26 -4.88 117.38 120.73 1f54 n GLN 75 Ca 0.28 0.84 -0.43 0.00 -0.01 0.00 0.00 57.00 57.68 1f54 n GLN 75 Cb 0.37 -5.36 -0.02 0.00 1.02 0.00 0.00 30.24 26.24 1f54 n GLN 75 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1f54 s LEU 76 N -5.28 3.70 0.00 1.08 0.20 -0.32 -5.20 118.68 112.86 1f54 s LEU 76 Ca 0.00 0.79 0.00 0.00 0.69 0.00 0.00 54.13 55.61 1f54 s LEU 76 Cb 0.00 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 1f54 s LEU 76 CO 0.00 -1.23 0.00 2.29 -0.29 0.00 0.00 176.35 177.12