#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 6.00 -1.44 -3.46 0.01 -1.26 -4.38 113.70 109.16 1f54 s SER 2 Ca 0.00 -0.37 -0.06 0.00 1.31 0.00 0.00 55.95 56.83 1f54 s SER 2 Cb 0.00 -2.12 0.03 0.00 0.21 0.00 0.00 66.02 64.14 1f54 s SER 2 CO 0.00 -0.20 0.49 -3.20 0.41 0.00 0.00 173.24 170.74 1f54 n ASN 3 N 5.09 -5.12 -4.10 2.44 5.15 -1.26 -4.95 115.26 112.50 1f54 n ASN 3 Ca -0.13 -0.27 -0.11 0.00 -0.60 0.00 0.00 54.58 53.46 1f54 n ASN 3 Cb 0.50 -4.18 -0.09 0.00 -0.53 0.00 0.00 39.78 35.49 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1f54 s LEU 4 N -6.51 0.93 0.26 1.20 2.96 -1.26 -5.08 118.68 111.19 1f54 s LEU 4 Ca 0.30 -1.27 -0.20 0.00 -0.22 0.00 0.00 54.13 52.73 1f54 s LEU 4 Cb -0.14 0.79 0.06 0.00 0.50 0.00 0.00 46.19 47.39 1f54 s LEU 4 CO 0.37 -0.94 0.89 -0.89 -1.32 0.00 0.00 176.35 174.46 1f54 s THR 5 N -4.08 0.00 0.21 3.68 2.01 -1.26 -4.52 115.64 111.68 1f54 s THR 5 Ca 0.34 -0.80 -0.10 0.00 0.31 0.00 0.00 61.69 61.44 1f54 s THR 5 Cb 0.05 -2.57 0.15 0.00 0.01 0.00 0.00 72.50 70.14 1f54 s THR 5 CO 0.12 0.00 1.73 1.05 -0.69 0.00 0.00 174.62 176.83 1f54 h GLU 6 N 2.00 0.34 -0.59 4.92 -0.00 -2.02 -0.85 114.58 118.38 1f54 h GLU 6 Ca -0.27 -0.02 -0.08 0.00 -0.00 0.00 0.00 59.36 58.98 1f54 h GLU 6 Cb 1.24 -0.08 -0.02 0.00 -0.00 0.00 0.00 28.75 29.89 1f54 h GLU 6 CO 0.33 0.23 0.03 1.49 -0.00 0.00 0.00 179.01 181.09 1f54 h GLU 7 N 0.35 1.00 0.67 1.06 4.22 -2.00 -2.46 114.58 117.43 1f54 h GLU 7 Ca 0.30 -0.29 -0.03 0.00 0.08 0.00 0.00 59.36 59.42 1f54 h GLU 7 Cb 0.40 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1f54 h GLU 7 CO -0.33 0.96 -0.35 0.37 -2.18 0.00 0.00 179.01 177.48 1f54 h GLN 8 N 0.92 -0.90 -1.09 1.92 5.75 -1.58 -2.17 115.11 117.96 1f54 h GLN 8 Ca 0.17 0.06 0.30 0.00 -0.15 0.00 0.00 58.65 59.03 1f54 h GLN 8 Cb 0.49 0.20 -0.08 0.00 1.07 0.00 0.00 27.48 29.16 1f54 h GLN 8 CO 0.02 -0.60 0.73 0.82 -2.65 0.00 0.00 178.83 177.15 1f54 h ILE 9 N -0.93 0.47 0.62 2.39 2.04 -1.28 -1.28 117.51 119.53 1f54 h ILE 9 Ca -0.09 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1f54 h ILE 9 Cb 0.73 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1f54 h ILE 9 CO 0.13 0.05 -0.40 0.00 0.00 0.00 0.00 178.15 177.93 1f54 h ALA 10 N 1.57 -1.19 -0.72 1.87 0.00 -0.90 -0.49 119.26 119.39 1f54 h ALA 10 Ca 0.60 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 55.50 1f54 h ALA 10 Cb 1.77 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 20.06 1f54 h ALA 10 CO -0.23 -1.16 0.50 0.93 0.00 0.00 0.00 179.25 179.29 1f54 h GLU 11 N -0.96 0.15 -0.34 0.00 4.39 -0.80 -0.08 114.58 116.94 1f54 h GLU 11 Ca -0.08 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 1f54 h GLU 11 Cb 0.78 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1f54 h GLU 11 CO 0.07 0.10 0.03 0.74 -1.16 0.00 0.00 179.01 178.79 1f54 h PHE 12 N 0.15 0.62 -0.02 4.33 -1.00 -0.62 -2.58 116.94 117.81 1f54 h PHE 12 Ca 0.35 -0.10 0.02 0.00 2.81 0.00 0.00 57.97 61.06 1f54 h PHE 12 Cb 1.17 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 40.54 1f54 h PHE 12 CO -0.00 0.66 -0.10 -0.22 -1.61 0.00 0.00 178.31 177.04 1f54 h LYS 13 N 0.39 -0.15 -1.00 1.51 1.63 0.59 0.51 116.57 120.06 1f54 h LYS 13 Ca 0.10 0.01 0.16 0.00 -0.85 0.00 0.00 60.65 60.07 1f54 h LYS 13 Cb 0.39 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 31.96 1f54 h LYS 13 CO 0.01 -0.10 0.62 0.93 -3.45 0.00 0.00 179.45 177.46 1f54 h GLU 14 N -0.16 0.82 0.00 1.90 5.08 -1.41 0.18 114.58 120.99 1f54 h GLU 14 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1f54 h GLU 14 Cb 0.22 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1f54 h GLU 14 CO -0.11 0.54 0.00 0.00 -1.00 0.00 0.00 179.01 178.44 1f54 n ALA 15 N -2.34 -0.22 -0.32 3.43 0.00 -0.64 -0.57 120.51 119.84 1f54 n ALA 15 Ca 0.22 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.71 1f54 n ALA 15 Cb 0.49 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.37 0.00 0.00 3.57 -0.84 1.08 116.94 120.38 1f54 h PHE 16 Ca 0.00 0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1f54 h PHE 16 Cb 0.00 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1f54 h PHE 16 CO 0.10 -0.38 -0.37 0.00 -2.23 0.00 0.00 178.31 175.43 1f54 h ALA 17 N 1.89 1.35 -0.19 2.41 0.00 -0.73 -2.64 119.26 121.37 1f54 h ALA 17 Ca 0.45 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1f54 h ALA 17 Cb 0.75 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1f54 h ALA 17 CO -0.90 0.46 0.40 1.25 0.00 0.00 0.00 179.25 180.47 1f54 h LEU 18 N 0.00 0.00 -3.00 0.00 6.46 0.37 0.20 115.31 119.34 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 0.67 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1f54 h LEU 18 CO 0.05 0.00 0.00 0.49 -0.62 0.00 0.00 178.44 178.36 1f54 n PHE 19 N -3.24 0.04 -1.99 1.25 3.01 -1.00 -4.89 117.46 110.64 1f54 n PHE 19 Ca 0.02 -0.74 -0.41 0.00 1.01 0.00 0.00 57.45 57.33 1f54 n PHE 19 Cb 0.51 -0.10 -0.01 0.00 -0.01 0.00 0.00 39.48 39.86 1f54 n PHE 19 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1f54 n ASP 20 N -0.91 3.99 -0.30 4.37 5.75 0.70 -4.76 116.55 125.39 1f54 n ASP 20 Ca 0.08 -2.83 0.12 0.00 -0.01 0.00 0.00 54.79 52.15 1f54 n ASP 20 Cb 0.45 -1.63 0.29 0.00 -1.03 0.00 0.00 41.12 39.20 1f54 n ASP 20 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1f54 h LYS 21 N 7.17 0.36 0.00 0.11 1.63 -1.85 0.89 116.57 124.88 1f54 h LYS 21 Ca 0.47 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 60.23 1f54 h LYS 21 Cb 0.75 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.30 1f54 h LYS 21 CO 1.68 0.24 -0.09 -0.44 -3.45 0.00 0.00 179.45 177.38 1f54 h ASP 22 N 0.37 0.00 -1.19 4.20 3.32 -1.86 -3.46 116.42 117.80 1f54 h ASP 22 Ca 0.54 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.29 1f54 h ASP 22 Cb 1.01 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.48 1f54 h ASP 22 CO -0.54 0.09 -0.31 -3.20 -1.72 0.00 0.00 179.24 173.57 1f54 n ASN 23 N -3.56 -4.70 -0.22 6.45 5.15 0.31 -4.84 115.26 113.84 1f54 n ASN 23 Ca -0.02 0.24 0.05 0.00 -0.60 0.00 0.00 54.58 54.25 1f54 n ASN 23 Cb 0.22 -3.62 -0.00 0.00 -0.53 0.00 0.00 39.78 35.85 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 -0.55 1.20 0.00 1.20 0.23 -1.26 -4.96 115.26 111.11 1f54 n ASN 24 Ca -0.16 -1.10 0.00 0.00 -0.53 0.00 0.00 54.58 52.79 1f54 n ASN 24 Cb 0.54 0.46 0.00 0.00 -2.08 0.00 0.00 39.78 38.70 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 0.87 1.62 2.96 4.83 0.00 -1.26 -5.06 105.19 109.15 1f54 n GLY 25 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 0.40 0.08 1.61 1.04 -1.26 -2.35 113.70 111.23 1f54 s SER 26 Ca 0.00 -0.25 0.01 0.00 0.48 0.00 0.00 55.95 56.19 1f54 s SER 26 Cb 0.00 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 1f54 s SER 26 CO 0.00 -0.09 -0.06 0.27 0.98 0.00 0.00 173.24 174.34 1f54 s ILE 27 N -0.65 0.57 0.44 -1.02 -4.36 -0.01 -4.50 121.20 111.67 1f54 s ILE 27 Ca -0.05 -1.82 -0.17 0.00 -0.26 0.00 0.00 60.65 58.35 1f54 s ILE 27 Cb -0.05 -1.53 -0.09 0.00 1.25 0.00 0.00 42.46 42.04 1f54 s ILE 27 CO -0.00 -0.85 0.91 -0.55 0.24 0.00 0.00 174.94 174.68 1f54 s SER 28 N -2.87 6.74 0.20 4.36 0.15 -1.26 0.13 113.70 121.15 1f54 s SER 28 Ca 0.08 1.51 -0.20 0.00 0.70 0.00 0.00 55.95 58.04 1f54 s SER 28 Cb 0.04 -2.47 0.15 0.00 -1.71 0.00 0.00 66.02 62.03 1f54 s SER 28 CO -0.05 -0.43 1.58 0.77 1.20 0.00 0.00 173.24 176.31 1f54 h SER 29 N 1.51 -1.23 -1.34 5.45 4.64 -1.86 0.92 113.55 121.64 1f54 h SER 29 Ca -0.48 0.25 0.39 0.00 -0.47 0.00 0.00 61.79 61.48 1f54 h SER 29 Cb 1.18 0.62 -0.07 0.00 -0.31 0.00 0.00 62.40 63.82 1f54 h SER 29 CO 0.62 -0.30 0.94 -1.28 -0.87 0.00 0.00 176.83 175.94 1f54 h SER 30 N -0.12 0.11 0.66 4.97 0.87 -1.92 0.67 113.55 118.78 1f54 h SER 30 Ca 0.26 0.03 -0.27 0.00 -1.23 0.00 0.00 61.79 60.58 1f54 h SER 30 Cb 0.56 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1f54 h SER 30 CO -0.76 -0.01 -1.27 -0.33 -0.53 0.00 0.00 176.83 173.93 1f54 h GLU 31 N 0.08 0.21 -0.79 2.24 4.39 0.48 -3.29 114.58 117.89 1f54 h GLU 31 Ca 0.68 -0.35 0.07 0.00 0.34 0.00 0.00 59.36 60.10 1f54 h GLU 31 Cb 2.49 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 31.22 1f54 h GLU 31 CO -0.11 1.13 0.52 1.25 -1.16 0.00 0.00 179.01 180.64 1f54 h LEU 32 N 0.06 0.73 -0.52 1.33 5.85 0.13 -1.62 115.31 121.27 1f54 h LEU 32 Ca -0.14 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.63 1f54 h LEU 32 Cb 1.94 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.78 1f54 h LEU 32 CO 0.18 0.47 0.29 0.00 -0.34 0.00 0.00 178.44 179.03 1f54 h ALA 33 N 1.58 0.67 0.45 1.25 0.00 -1.55 -0.77 119.26 120.88 1f54 h ALA 33 Ca 0.35 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1f54 h ALA 33 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1f54 h ALA 33 CO -0.12 -0.04 -0.21 1.15 0.00 0.00 0.00 179.25 180.02 1f54 h THR 34 N 0.56 0.00 -1.38 0.00 2.02 -1.44 -2.54 112.91 110.12 1f54 h THR 34 Ca 0.22 -0.06 0.42 0.00 0.77 0.00 0.00 66.41 67.76 1f54 h THR 34 Cb 0.09 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.40 1f54 h THR 34 CO -0.13 0.00 0.93 -0.37 0.37 0.00 0.00 175.52 176.32 1f54 h VAL 35 N -0.66 0.21 0.90 3.16 -1.51 -1.41 0.17 116.25 117.11 1f54 h VAL 35 Ca -0.06 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.33 1f54 h VAL 35 Cb 0.46 0.10 0.01 0.00 -2.13 0.00 0.00 31.29 29.73 1f54 h VAL 35 CO 0.10 0.02 -0.44 -0.03 -1.23 0.00 0.00 177.57 175.99 1f54 h MET 36 N 0.10 -1.18 0.00 5.19 4.05 -0.73 -2.39 114.93 119.97 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 0.27 0.00 0.00 -0.80 0.00 0.00 31.60 33.66 1f54 h MET 36 CO -0.25 -0.78 0.00 -0.09 0.23 0.00 0.00 176.91 176.01 1f54 h ARG 37 N -1.22 0.00 -0.30 0.39 2.43 -0.72 -2.91 114.38 112.05 1f54 h ARG 37 Ca -0.12 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.95 1f54 h ARG 37 Cb 0.94 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1f54 h ARG 37 CO 0.19 0.00 -0.23 1.03 -1.51 0.00 0.00 179.97 179.46 1f54 h SER 38 N 0.00 0.57 0.12 -3.80 0.87 -0.43 -2.56 113.55 108.32 1f54 h SER 38 Ca 0.00 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1f54 h SER 38 Cb 0.48 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1f54 h SER 38 CO 0.00 0.80 -0.07 -0.07 -0.53 0.00 0.00 176.83 176.96 1f54 h LEU 39 N 0.50 0.00 0.00 2.23 3.38 -1.23 -3.45 115.31 116.75 1f54 h LEU 39 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1f54 h LEU 39 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1f54 h LEU 39 CO 0.05 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.26 1f54 n GLY 40 N -1.15 1.01 3.36 0.83 0.00 -0.97 -5.11 105.19 103.16 1f54 n GLY 40 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 1.85 -0.38 0.99 2.34 -1.20 -4.96 118.68 117.32 1f54 s LEU 41 Ca 0.00 -1.77 -0.01 0.00 0.06 0.00 0.00 54.13 52.41 1f54 s LEU 41 Cb 0.00 0.38 0.19 0.00 -0.56 0.00 0.00 46.19 46.20 1f54 s LEU 41 CO 0.00 -1.05 0.87 -0.94 -1.06 0.00 0.00 176.35 174.17 1f54 s SER 42 N -3.46 -0.89 0.00 1.48 1.04 -1.26 -4.13 113.70 106.48 1f54 s SER 42 Ca 0.35 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1f54 s SER 42 Cb 0.02 1.15 0.00 0.00 0.10 0.00 0.00 66.02 67.28 1f54 s SER 42 CO 0.25 -0.08 0.00 -0.81 0.98 0.00 0.00 173.24 173.58 1f54 n PRO 43 N 3.64 1.08 -4.37 4.02 -0.04 -1.26 -5.10 135.00 132.98 1f54 n PRO 43 Ca 0.10 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.38 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 -1.12 -0.04 0.00 0.00 175.50 174.34 1f54 s SER 44 N -1.37 1.89 0.09 3.54 0.01 -1.26 -5.01 113.70 111.59 1f54 s SER 44 Ca 0.00 -1.30 -0.20 0.00 1.31 0.00 0.00 55.95 55.76 1f54 s SER 44 Cb 0.00 0.01 -0.06 0.00 0.21 0.00 0.00 66.02 66.18 1f54 s SER 44 CO 0.00 -0.58 1.34 -0.33 0.41 0.00 0.00 173.24 174.08 1f54 h GLU 45 N 2.34 -0.15 -0.82 12.44 5.08 -1.99 0.71 114.58 132.19 1f54 h GLU 45 Ca -0.39 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.13 1f54 h GLU 45 Cb 1.23 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.37 1f54 h GLU 45 CO 0.65 -0.10 -0.27 0.00 -1.00 0.00 0.00 179.01 178.30 1f54 h ALA 46 N -0.33 0.37 -0.56 3.43 0.00 -2.00 1.14 119.26 121.31 1f54 h ALA 46 Ca 0.07 0.29 0.08 0.00 0.00 0.00 0.00 54.91 55.35 1f54 h ALA 46 Cb 0.33 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1f54 h ALA 46 CO -0.46 -0.49 0.38 1.49 0.00 0.00 0.00 179.25 180.16 1f54 h GLU 47 N -0.03 0.41 -0.14 0.00 4.57 -1.34 -1.90 114.58 116.15 1f54 h GLU 47 Ca 0.36 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.40 1f54 h GLU 47 Cb 0.60 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1f54 h GLU 47 CO -0.85 0.27 -0.38 0.28 -1.18 0.00 0.00 179.01 177.14 1f54 h VAL 48 N 0.42 1.36 -0.47 0.32 2.07 0.31 -2.11 116.25 118.15 1f54 h VAL 48 Ca 0.25 -1.67 0.09 0.00 0.82 0.00 0.00 66.70 66.19 1f54 h VAL 48 Cb 0.46 2.06 -0.08 0.00 -1.52 0.00 0.00 31.29 32.21 1f54 h VAL 48 CO -0.07 0.50 0.02 -1.13 0.02 0.00 0.00 177.57 176.91 1f54 h ASN 49 N 0.12 -0.16 -0.38 0.57 -0.73 -0.20 0.89 115.58 115.68 1f54 h ASN 49 Ca -0.01 0.11 -0.10 0.00 1.87 0.00 0.00 56.30 58.17 1f54 h ASN 49 Cb 1.00 0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.76 1f54 h ASN 49 CO 0.08 -0.05 -0.16 0.44 -0.37 0.00 0.00 177.43 177.37 1f54 h ASP 50 N 0.13 0.81 -1.00 1.15 3.32 -1.52 -0.22 116.42 119.10 1f54 h ASP 50 Ca 0.24 -0.40 0.03 0.00 0.02 0.00 0.00 57.03 56.92 1f54 h ASP 50 Cb 0.35 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 1f54 h ASP 50 CO -0.38 1.02 0.66 -0.07 -1.72 0.00 0.00 179.24 178.75 1f54 h LEU 51 N 0.59 1.10 0.11 1.55 3.38 -0.61 -1.95 115.31 119.47 1f54 h LEU 51 Ca 0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1f54 h LEU 51 Cb 0.71 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1f54 h LEU 51 CO 0.05 0.76 -0.05 0.24 0.09 0.00 0.00 178.44 179.52 1f54 h MET 52 N 1.28 -0.14 -0.54 1.13 2.86 -0.73 -3.22 114.93 115.56 1f54 h MET 52 Ca 0.39 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 58.20 1f54 h MET 52 Cb -0.02 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1f54 h MET 52 CO -0.12 0.16 0.77 -0.91 1.06 0.00 0.00 176.91 177.87 1f54 h ASN 53 N -0.99 0.00 0.49 1.22 4.21 -1.00 2.53 115.58 122.04 1f54 h ASN 53 Ca -0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1f54 h ASN 53 Cb 0.37 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.57 1f54 h ASN 53 CO 0.03 0.00 -0.03 1.21 -1.29 0.00 0.00 177.43 177.35 1f54 n GLU 54 N -3.29 0.51 0.00 0.81 0.00 -0.74 -4.36 120.64 113.57 1f54 n GLU 54 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1f54 n GLU 54 Cb 0.96 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.90 1f54 n GLU 54 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 1f54 n ILE 55 N -1.20 0.00 -1.53 6.31 3.06 0.69 -5.08 119.36 121.61 1f54 n ILE 55 Ca 0.15 0.00 -0.56 0.00 -2.50 0.00 0.00 62.75 59.84 1f54 n ILE 55 Cb 0.24 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.35 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 -1.36 0.53 -0.06 9.51 -0.08 0.69 -4.89 116.55 120.88 1f54 n ASP 56 Ca 0.00 1.15 -0.07 0.00 -1.51 0.00 0.00 54.79 54.36 1f54 n ASP 56 Cb 0.00 -1.02 -0.02 0.00 2.34 0.00 0.00 41.12 42.42 1f54 n ASP 56 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1f54 n VAL 57 N 1.78 1.30 -1.78 5.18 0.31 -1.26 -4.83 118.33 119.02 1f54 n VAL 57 Ca 0.19 0.20 0.04 0.00 -0.01 0.00 0.00 64.34 64.77 1f54 n VAL 57 Cb 0.13 -2.16 0.06 0.00 -0.91 0.00 0.00 33.84 30.96 1f54 n VAL 57 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1f54 n ASP 58 N -4.13 0.99 0.00 4.52 5.68 -1.26 -5.02 116.55 117.34 1f54 n ASP 58 Ca -0.11 -2.50 0.00 0.00 -0.50 0.00 0.00 54.79 51.68 1f54 n ASP 58 Cb 0.40 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1f54 n GLY 59 N -0.43 2.39 2.82 6.12 0.00 -1.26 -4.83 105.19 109.99 1f54 n GLY 59 Ca 0.07 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1f54 n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1f54 n ASN 60 N 2.78 6.28 -4.96 1.61 4.05 -1.26 -4.75 115.26 119.02 1f54 n ASN 60 Ca 0.00 -3.53 -0.22 0.00 0.45 0.00 0.00 54.58 51.28 1f54 n ASN 60 Cb 0.00 -1.12 0.02 0.00 1.23 0.00 0.00 39.78 39.92 1f54 n ASN 60 CO 0.00 0.00 0.00 -1.38 -3.05 0.00 0.00 177.26 172.83 1f54 s HIS 61 N -3.30 3.08 -0.46 1.20 -3.43 -1.26 -5.02 115.29 106.10 1f54 s HIS 61 Ca 0.36 0.16 -0.13 0.00 -0.80 0.00 0.00 55.06 54.64 1f54 s HIS 61 Cb 0.12 -2.52 0.08 0.00 -1.43 0.00 0.00 32.58 28.83 1f54 s HIS 61 CO 0.00 -0.60 0.36 1.14 -2.00 0.00 0.00 174.74 173.64 1f54 s GLN 62 N -4.67 2.86 0.56 -0.38 1.03 -1.26 -3.94 119.66 113.86 1f54 s GLN 62 Ca 0.52 -1.41 -0.19 0.00 0.04 0.00 0.00 55.36 54.33 1f54 s GLN 62 Cb -0.10 -4.03 -0.05 0.00 0.03 0.00 0.00 33.01 28.86 1f54 s GLN 62 CO 0.39 -1.02 1.12 0.42 -2.54 0.00 0.00 175.29 173.65 1f54 s ILE 63 N 1.57 3.21 -0.12 3.63 1.01 0.34 -4.75 121.20 126.09 1f54 s ILE 63 Ca 0.04 0.72 0.01 0.00 0.00 0.00 0.00 60.65 61.41 1f54 s ILE 63 Cb -0.24 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1f54 s ILE 63 CO 0.05 -0.20 -0.15 -1.61 0.00 0.00 0.00 174.94 173.03 1f54 s GLU 64 N -3.42 3.32 0.43 2.79 2.02 -1.26 -0.83 118.70 121.75 1f54 s GLU 64 Ca 0.72 -0.72 0.28 0.00 0.02 0.00 0.00 54.97 55.27 1f54 s GLU 64 Cb -0.23 -2.57 1.38 0.00 0.10 0.00 0.00 34.13 32.81 1f54 s GLU 64 CO 0.29 0.21 1.64 0.35 0.02 0.00 0.00 175.26 177.77 1f54 h PHE 65 N 6.68 0.55 0.00 1.61 3.57 -1.86 0.21 116.94 127.70 1f54 h PHE 65 Ca -0.25 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1f54 h PHE 65 Cb 1.22 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1f54 h PHE 65 CO 0.50 -0.18 0.00 0.43 -2.23 0.00 0.00 178.31 176.83 1f54 n SER 66 N -4.70 0.00 -0.34 0.41 7.64 -1.26 -2.37 113.62 112.99 1f54 n SER 66 Ca 0.36 0.72 0.12 0.00 1.01 0.00 0.00 58.87 61.08 1f54 n SER 66 Cb 1.36 -0.28 0.31 0.00 -1.01 0.00 0.00 64.21 64.59 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 0.70 -0.38 1.43 4.11 -1.81 0.24 114.58 118.88 1f54 h GLU 67 Ca 0.00 -0.04 0.05 0.00 0.07 0.00 0.00 59.36 59.43 1f54 h GLU 67 Cb 0.00 -0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.01 1f54 h GLU 67 CO 0.00 0.46 -0.54 0.35 0.07 0.00 0.00 179.01 179.35 1f54 h PHE 68 N 0.72 -1.66 -0.02 2.06 3.57 -0.60 0.51 116.94 121.53 1f54 h PHE 68 Ca 0.57 0.08 -0.21 0.00 3.53 0.00 0.00 57.97 61.94 1f54 h PHE 68 Cb 0.89 0.77 -0.00 0.00 2.79 0.00 0.00 35.95 40.40 1f54 h PHE 68 CO -0.02 -0.48 -0.87 -0.07 -2.23 0.00 0.00 178.31 174.63 1f54 h LEU 69 N -0.40 0.44 -2.28 0.59 4.07 -1.00 -0.07 115.31 116.65 1f54 h LEU 69 Ca 0.07 -0.34 -0.01 0.00 0.08 0.00 0.00 57.88 57.68 1f54 h LEU 69 Cb 0.59 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 42.19 1f54 h LEU 69 CO -0.57 1.12 -0.04 0.00 -1.08 0.00 0.00 178.44 177.87 1f54 h ALA 70 N 0.86 1.49 0.00 1.53 0.00 0.31 -2.43 119.26 121.02 1f54 h ALA 70 Ca -0.06 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 1f54 h ALA 70 Cb 1.49 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.22 1f54 h ALA 70 CO 0.15 0.05 -2.22 1.28 0.00 0.00 0.00 179.25 178.50 1f54 n LEU 71 N -3.85 0.00 0.24 0.00 4.32 0.17 -4.33 117.00 113.55 1f54 n LEU 71 Ca -0.03 0.00 0.08 0.00 -0.02 0.00 0.00 56.01 56.05 1f54 n LEU 71 Cb 0.13 0.42 0.59 0.00 -1.62 0.00 0.00 43.42 42.93 1f54 n LEU 71 CO 0.29 0.42 0.91 0.24 -1.22 0.00 0.00 177.39 178.02 1f54 h MET 72 N 0.00 0.00 -0.31 3.23 2.86 -0.69 -2.50 114.93 117.52 1f54 h MET 72 Ca -0.46 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.27 1f54 h MET 72 Cb 2.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.68 1f54 h MET 72 CO 0.02 0.18 0.65 1.03 1.06 0.00 0.00 176.91 179.85 1f54 h SER 73 N 0.00 0.00 -1.07 1.22 0.87 -1.64 0.09 113.55 113.02 1f54 h SER 73 Ca -0.00 0.00 0.29 0.00 -1.23 0.00 0.00 61.79 60.85 1f54 h SER 73 Cb 0.37 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.26 1f54 h SER 73 CO 0.02 0.00 0.72 -0.09 -0.53 0.00 0.00 176.83 176.95 1f54 h ARG 74 N 0.00 0.24 -1.77 2.24 9.65 -1.74 -3.41 114.38 119.59 1f54 h ARG 74 Ca 0.15 -0.01 0.05 0.00 -1.10 0.00 0.00 59.98 59.07 1f54 h ARG 74 Cb 1.44 -0.06 -0.24 0.00 -1.39 0.00 0.00 29.97 29.72 1f54 h ARG 74 CO -0.00 0.16 0.23 -0.65 2.80 0.00 0.00 179.97 182.51 1f54 s GLN 75 N -5.30 0.57 0.10 0.20 -1.52 0.02 -5.18 119.66 108.55 1f54 s GLN 75 Ca -0.07 0.89 -0.08 0.00 -1.95 0.00 0.00 55.36 54.15 1f54 s GLN 75 Cb 0.24 0.16 -0.01 0.00 -0.22 0.00 0.00 33.01 33.19 1f54 s GLN 75 CO 0.80 -0.10 0.18 -1.17 -0.25 0.00 0.00 175.29 174.75 1f54 s LEU 76 N 1.17 1.45 0.00 2.90 0.20 -1.26 -4.96 118.68 118.17 1f54 s LEU 76 Ca -0.06 -0.73 0.00 0.00 0.69 0.00 0.00 54.13 54.02 1f54 s LEU 76 Cb -0.04 0.97 0.00 0.00 -0.43 0.00 0.00 46.19 46.68 1f54 s LEU 76 CO -0.14 -0.74 0.00 1.17 -0.29 0.00 0.00 176.35 176.35