#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 3.85 0.00 -3.46 7.64 -1.26 -4.63 113.62 115.76 1f54 n SER 2 Ca 0.00 -3.54 0.00 0.00 1.01 0.00 0.00 58.87 56.34 1f54 n SER 2 Cb 0.00 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1f54 n SER 2 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1f54 n ASN 3 N -0.94 0.00 -4.74 6.43 4.13 -1.26 -5.03 115.26 113.86 1f54 n ASN 3 Ca 0.53 0.16 -0.24 0.00 1.68 0.00 0.00 54.58 56.71 1f54 n ASN 3 Cb 1.55 -0.37 -0.07 0.00 -1.54 0.00 0.00 39.78 39.35 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1f54 s LEU 4 N -3.92 3.15 0.00 3.41 2.96 -1.26 -5.08 118.68 117.94 1f54 s LEU 4 Ca 0.00 -0.99 0.00 0.00 -0.22 0.00 0.00 54.13 52.92 1f54 s LEU 4 Cb 0.00 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.16 1f54 s LEU 4 CO 0.00 -0.47 0.00 0.41 -1.32 0.00 0.00 176.35 174.97 1f54 n THR 5 N -1.21 0.00 0.05 3.68 -1.04 -1.26 -5.01 114.28 109.49 1f54 n THR 5 Ca -0.01 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.98 1f54 n THR 5 Cb 0.64 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.14 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 -0.12 -0.91 -2.82 5.08 -2.00 -2.22 114.58 111.59 1f54 h GLU 6 Ca 0.00 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.58 1f54 h GLU 6 Cb 0.00 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.16 1f54 h GLU 6 CO 0.00 -0.08 0.44 0.93 -1.00 0.00 0.00 179.01 179.30 1f54 h GLU 7 N -0.15 0.45 0.20 2.33 3.07 -1.99 -1.82 114.58 116.67 1f54 h GLU 7 Ca -0.01 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1f54 h GLU 7 Cb 0.09 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1f54 h GLU 7 CO 0.02 0.30 -0.26 0.37 -1.40 0.00 0.00 179.01 178.04 1f54 h GLN 8 N 0.47 -0.45 -1.04 2.33 5.75 -1.94 -1.59 115.11 118.63 1f54 h GLN 8 Ca 0.57 0.03 0.27 0.00 -0.15 0.00 0.00 58.65 59.37 1f54 h GLN 8 Cb 1.04 0.10 -0.11 0.00 1.07 0.00 0.00 27.48 29.58 1f54 h GLN 8 CO -0.50 -0.30 0.64 0.82 -2.65 0.00 0.00 178.83 176.84 1f54 h ILE 9 N -0.47 0.48 0.61 2.39 2.04 -0.78 -1.39 117.51 120.39 1f54 h ILE 9 Ca -0.02 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1f54 h ILE 9 Cb 0.42 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1f54 h ILE 9 CO -0.06 0.08 -0.47 0.00 0.00 0.00 0.00 178.15 177.70 1f54 h ALA 10 N 1.68 -1.19 -0.89 1.87 0.00 -0.51 -1.03 119.26 119.19 1f54 h ALA 10 Ca 0.64 -0.21 0.23 0.00 0.00 0.00 0.00 54.91 55.57 1f54 h ALA 10 Cb 1.47 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 19.86 1f54 h ALA 10 CO -0.40 -1.19 0.61 0.93 0.00 0.00 0.00 179.25 179.20 1f54 h GLU 11 N -1.04 0.22 -0.25 0.00 4.39 -0.44 -0.10 114.58 117.36 1f54 h GLU 11 Ca -0.08 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 1f54 h GLU 11 Cb 0.87 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1f54 h GLU 11 CO 0.02 0.15 -0.02 0.74 -1.16 0.00 0.00 179.01 178.73 1f54 h PHE 12 N 0.23 0.49 0.18 4.33 -1.00 -0.76 -2.60 116.94 117.82 1f54 h PHE 12 Ca 0.45 -0.09 0.01 0.00 2.81 0.00 0.00 57.97 61.15 1f54 h PHE 12 Cb 1.39 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 40.80 1f54 h PHE 12 CO -0.00 0.63 -0.25 -0.22 -1.61 0.00 0.00 178.31 176.87 1f54 h LYS 13 N 0.21 -0.47 -0.97 1.51 1.63 0.23 0.39 116.57 119.10 1f54 h LYS 13 Ca 0.07 0.03 0.17 0.00 -0.85 0.00 0.00 60.65 60.07 1f54 h LYS 13 Cb 0.45 0.11 -0.10 0.00 -0.60 0.00 0.00 32.23 32.09 1f54 h LYS 13 CO 0.02 -0.31 0.57 0.93 -3.45 0.00 0.00 179.45 177.20 1f54 h GLU 14 N -0.49 0.73 0.05 1.90 5.08 -1.48 0.25 114.58 120.62 1f54 h GLU 14 Ca 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1f54 h GLU 14 Cb 0.48 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1f54 h GLU 14 CO -0.10 0.48 -0.02 0.00 -1.00 0.00 0.00 179.01 178.37 1f54 h ALA 15 N 1.62 -0.59 -0.91 3.43 0.00 -0.94 0.74 119.26 122.61 1f54 h ALA 15 Ca 0.54 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.62 1f54 h ALA 15 Cb 0.80 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.45 1f54 h ALA 15 CO -0.37 -0.59 -0.24 0.35 0.00 0.00 0.00 179.25 178.40 1f54 h PHE 16 N -0.10 -0.54 0.00 0.00 3.57 -0.81 1.40 116.94 120.46 1f54 h PHE 16 Ca -0.01 0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1f54 h PHE 16 Cb 0.05 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1f54 h PHE 16 CO 0.12 -0.39 -0.21 0.00 -2.23 0.00 0.00 178.31 175.60 1f54 h ALA 17 N 1.84 1.14 -0.03 2.41 0.00 -1.02 -2.66 119.26 120.96 1f54 h ALA 17 Ca 0.42 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1f54 h ALA 17 Cb 0.66 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1f54 h ALA 17 CO -0.93 0.26 0.09 1.25 0.00 0.00 0.00 179.25 179.92 1f54 h LEU 18 N 0.00 0.00 -2.97 0.00 6.46 0.44 -1.18 115.31 118.06 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 0.59 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 1f54 h LEU 18 CO 0.03 0.00 -0.21 0.49 -0.62 0.00 0.00 178.44 178.13 1f54 n PHE 19 N -3.28 0.00 -2.43 1.25 3.01 -1.00 -4.95 117.46 110.05 1f54 n PHE 19 Ca -0.02 -1.15 -0.38 0.00 1.01 0.00 0.00 57.45 56.91 1f54 n PHE 19 Cb 0.16 -0.18 -0.03 0.00 -0.01 0.00 0.00 39.48 39.42 1f54 n PHE 19 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1f54 s ASP 20 N -2.95 6.21 0.11 4.37 -4.77 -0.45 -4.75 116.67 114.45 1f54 s ASP 20 Ca 0.33 -1.55 -0.29 0.00 -3.30 0.00 0.00 52.55 47.74 1f54 s ASP 20 Cb 0.31 -2.57 -0.09 0.00 -1.09 0.00 0.00 42.92 39.47 1f54 s ASP 20 CO -0.01 -1.78 1.61 0.11 0.70 0.00 0.00 175.17 175.80 1f54 h LYS 21 N 9.56 -0.56 0.00 2.11 1.57 -1.89 0.76 116.57 128.12 1f54 h LYS 21 Ca 0.24 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1f54 h LYS 21 Cb 0.97 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1f54 h LYS 21 CO 1.38 -0.37 0.00 -0.25 -0.57 0.00 0.00 179.45 179.64 1f54 n ASP 22 N -5.43 0.00 -1.77 0.86 9.92 -1.26 -4.83 116.55 114.04 1f54 n ASP 22 Ca -0.07 -0.01 -0.16 0.00 -0.53 0.00 0.00 54.79 54.02 1f54 n ASP 22 Cb 0.34 -0.27 -0.05 0.00 -0.64 0.00 0.00 41.12 40.51 1f54 n ASP 22 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1f54 n ASN 23 N -1.27 -4.31 -2.51 -2.24 4.05 0.26 -4.82 115.26 104.41 1f54 n ASN 23 Ca 0.09 0.30 -0.35 0.00 0.45 0.00 0.00 54.58 55.07 1f54 n ASN 23 Cb 0.14 -3.83 0.05 0.00 1.23 0.00 0.00 39.78 37.37 1f54 n ASN 23 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1f54 n ASN 24 N -1.14 7.04 -1.65 1.20 3.02 -1.26 -4.83 115.26 117.63 1f54 n ASN 24 Ca -0.17 -3.80 -0.13 0.00 -0.03 0.00 0.00 54.58 50.45 1f54 n ASN 24 Cb 0.56 -0.89 -0.04 0.00 -0.61 0.00 0.00 39.78 38.80 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 -0.72 0.83 3.04 7.41 0.00 -1.26 -4.91 105.19 109.58 1f54 n GLY 25 Ca 0.55 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.11 0.65 0.04 1.61 1.04 -1.26 -2.45 113.70 111.23 1f54 s SER 26 Ca 0.00 -0.54 -0.00 0.00 0.48 0.00 0.00 55.95 55.89 1f54 s SER 26 Cb 0.00 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.15 1f54 s SER 26 CO 0.00 -0.24 -0.04 0.27 0.98 0.00 0.00 173.24 174.21 1f54 s ILE 27 N -1.43 0.27 0.51 -1.02 -4.36 0.15 -4.40 121.20 110.92 1f54 s ILE 27 Ca -0.12 -1.43 -0.18 0.00 -0.26 0.00 0.00 60.65 58.66 1f54 s ILE 27 Cb -0.10 -1.00 -0.08 0.00 1.25 0.00 0.00 42.46 42.54 1f54 s ILE 27 CO -0.00 -0.74 1.00 -0.55 0.24 0.00 0.00 174.94 174.89 1f54 s SER 28 N -2.28 6.45 0.21 4.36 0.15 -1.26 0.13 113.70 121.46 1f54 s SER 28 Ca -0.02 1.73 -0.17 0.00 0.70 0.00 0.00 55.95 58.19 1f54 s SER 28 Cb -0.01 -2.53 0.20 0.00 -1.71 0.00 0.00 66.02 61.97 1f54 s SER 28 CO -0.05 -0.70 1.59 0.77 1.20 0.00 0.00 173.24 176.05 1f54 h SER 29 N 1.19 -1.00 -1.32 5.45 4.64 -1.83 0.83 113.55 121.51 1f54 h SER 29 Ca -0.48 0.23 0.38 0.00 -0.47 0.00 0.00 61.79 61.45 1f54 h SER 29 Cb 1.20 0.54 -0.07 0.00 -0.31 0.00 0.00 62.40 63.77 1f54 h SER 29 CO 0.60 -0.28 0.93 0.28 -0.87 0.00 0.00 176.83 177.49 1f54 h SER 30 N -0.09 0.08 0.64 4.97 0.02 -1.92 0.61 113.55 117.86 1f54 h SER 30 Ca 0.29 0.02 -0.27 0.00 -0.84 0.00 0.00 61.79 60.99 1f54 h SER 30 Cb 0.55 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1f54 h SER 30 CO -0.73 -0.00 -1.26 -0.33 -1.14 0.00 0.00 176.83 173.36 1f54 h GLU 31 N 0.06 0.25 -0.47 3.45 4.39 0.32 -3.32 114.58 119.25 1f54 h GLU 31 Ca 0.66 -0.42 0.06 0.00 0.34 0.00 0.00 59.36 59.99 1f54 h GLU 31 Cb 2.46 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 31.21 1f54 h GLU 31 CO -0.08 1.19 0.19 1.25 -1.16 0.00 0.00 179.01 180.40 1f54 h LEU 32 N 0.07 0.23 -0.98 1.33 5.85 0.93 -1.12 115.31 121.61 1f54 h LEU 32 Ca -0.14 0.05 0.20 0.00 0.84 0.00 0.00 57.88 58.83 1f54 h LEU 32 Cb 1.96 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.90 1f54 h LEU 32 CO 0.19 0.16 0.58 0.00 -0.34 0.00 0.00 178.44 179.03 1f54 h ALA 33 N 1.29 1.64 0.16 1.25 0.00 -1.59 0.61 119.26 122.61 1f54 h ALA 33 Ca 0.22 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1f54 h ALA 33 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1f54 h ALA 33 CO -0.20 -0.11 -0.08 1.15 0.00 0.00 0.00 179.25 180.01 1f54 h THR 34 N 0.70 0.00 -1.51 0.00 2.02 -1.35 -2.69 112.91 110.08 1f54 h THR 34 Ca 0.58 -0.05 0.45 0.00 0.77 0.00 0.00 66.41 68.15 1f54 h THR 34 Cb 0.94 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.27 1f54 h THR 34 CO -0.41 0.00 1.06 -0.37 0.37 0.00 0.00 175.52 176.17 1f54 h VAL 35 N -0.26 0.20 0.92 3.16 -1.51 -1.15 0.12 116.25 117.73 1f54 h VAL 35 Ca -0.02 -0.02 -0.04 0.00 -1.23 0.00 0.00 66.70 65.39 1f54 h VAL 35 Cb 0.16 0.15 0.01 0.00 -2.13 0.00 0.00 31.29 29.49 1f54 h VAL 35 CO 0.04 0.01 -0.44 -0.03 -1.23 0.00 0.00 177.57 175.91 1f54 h MET 36 N 0.05 -1.19 0.00 5.19 4.05 -0.63 -2.29 114.93 120.11 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 2.85 0.27 0.00 0.00 -0.80 0.00 0.00 31.60 33.92 1f54 h MET 36 CO -0.11 -0.79 0.00 -0.09 0.23 0.00 0.00 176.91 176.14 1f54 h ARG 37 N -1.24 0.00 -0.05 0.39 2.43 -0.69 -2.96 114.38 112.26 1f54 h ARG 37 Ca -0.13 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.94 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 0.21 0.00 -0.46 0.77 -1.51 0.00 0.00 179.97 178.98 1f54 h SER 38 N 0.00 0.12 0.07 -3.80 0.02 -0.61 -2.87 113.55 106.49 1f54 h SER 38 Ca 0.00 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 1f54 h SER 38 Cb 0.56 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1f54 h SER 38 CO 0.00 0.57 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.98 1f54 h LEU 39 N 0.10 0.25 0.00 5.07 3.38 -1.24 -3.45 115.31 119.42 1f54 h LEU 39 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1f54 h LEU 39 Cb 0.85 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1f54 h LEU 39 CO 0.06 0.47 0.00 0.61 0.09 0.00 0.00 178.44 179.68 1f54 n GLY 40 N -0.66 0.00 3.37 0.83 0.00 -1.09 -5.11 105.19 102.52 1f54 n GLY 40 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 1.37 -0.37 0.99 2.34 -1.18 -4.95 118.68 116.88 1f54 s LEU 41 Ca 0.00 -1.61 -0.02 0.00 0.06 0.00 0.00 54.13 52.56 1f54 s LEU 41 Cb 0.00 0.95 0.19 0.00 -0.56 0.00 0.00 46.19 46.77 1f54 s LEU 41 CO 0.00 -1.15 0.90 -0.55 -1.06 0.00 0.00 176.35 174.49 1f54 s SER 42 N -3.30 -0.78 0.00 1.48 0.15 -1.26 -4.13 113.70 105.87 1f54 s SER 42 Ca 0.36 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1f54 s SER 42 Cb 0.01 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.33 1f54 s SER 42 CO 0.23 -0.07 0.00 -0.81 1.20 0.00 0.00 173.24 173.79 1f54 n PRO 43 N 3.65 1.08 -4.43 5.44 -0.04 -1.26 -5.09 135.00 134.36 1f54 n PRO 43 Ca 0.09 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 1f54 n PRO 43 Cb 0.61 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.97 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 2.67 0.07 3.54 0.01 -1.26 -5.00 113.70 112.34 1f54 s SER 44 Ca 0.00 -1.22 -0.16 0.00 1.31 0.00 0.00 55.95 55.88 1f54 s SER 44 Cb 0.00 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 1f54 s SER 44 CO 0.00 -0.40 1.26 -0.08 0.41 0.00 0.00 173.24 174.44 1f54 h GLU 45 N 2.26 -0.10 -0.83 12.44 4.81 -1.99 0.13 114.58 131.29 1f54 h GLU 45 Ca -0.40 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.00 1f54 h GLU 45 Cb 1.23 0.02 -0.16 0.00 0.63 0.00 0.00 28.75 30.48 1f54 h GLU 45 CO 0.68 -0.07 -0.21 0.00 -0.73 0.00 0.00 179.01 178.68 1f54 h ALA 46 N -0.49 0.53 -0.60 2.92 0.00 -2.00 1.08 119.26 120.71 1f54 h ALA 46 Ca 0.06 0.32 0.07 0.00 0.00 0.00 0.00 54.91 55.36 1f54 h ALA 46 Cb 0.25 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1f54 h ALA 46 CO -0.37 -0.41 0.40 1.49 0.00 0.00 0.00 179.25 180.36 1f54 h GLU 47 N -0.00 0.51 -0.17 0.00 4.81 -1.25 -2.04 114.58 116.44 1f54 h GLU 47 Ca 0.40 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.50 1f54 h GLU 47 Cb 0.61 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1f54 h GLU 47 CO -0.86 0.34 -0.27 0.28 -0.73 0.00 0.00 179.01 177.77 1f54 h VAL 48 N 0.53 1.35 -0.39 0.32 2.07 0.33 -1.86 116.25 118.60 1f54 h VAL 48 Ca 0.26 -1.49 0.08 0.00 0.82 0.00 0.00 66.70 66.37 1f54 h VAL 48 Cb 0.36 1.91 -0.07 0.00 -1.52 0.00 0.00 31.29 31.96 1f54 h VAL 48 CO -0.08 0.45 -0.10 -1.13 0.02 0.00 0.00 177.57 176.73 1f54 h ASN 49 N 0.11 -0.36 -0.51 0.57 -1.24 -0.39 -0.74 115.58 113.02 1f54 h ASN 49 Ca 0.01 0.12 -0.12 0.00 0.71 0.00 0.00 56.30 57.02 1f54 h ASN 49 Cb 0.84 0.24 -0.02 0.00 0.73 0.00 0.00 38.32 40.12 1f54 h ASN 49 CO 0.06 -0.13 -0.13 -0.78 -1.29 0.00 0.00 177.43 175.16 1f54 h ASP 50 N -0.00 1.01 -0.11 1.15 1.82 -1.51 -1.82 116.42 116.96 1f54 h ASP 50 Ca 0.19 -0.34 0.03 0.00 -0.39 0.00 0.00 57.03 56.52 1f54 h ASP 50 Cb 0.28 -0.27 -0.04 0.00 0.68 0.00 0.00 39.33 39.98 1f54 h ASP 50 CO -0.40 1.13 -0.11 -0.07 -1.61 0.00 0.00 179.24 178.18 1f54 h LEU 51 N 0.88 -0.35 0.08 2.28 3.38 -0.40 -1.74 115.31 119.44 1f54 h LEU 51 Ca 0.13 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1f54 h LEU 51 Cb 0.70 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1f54 h LEU 51 CO 0.05 -0.15 -0.04 0.24 0.09 0.00 0.00 178.44 178.63 1f54 h MET 52 N -0.14 -0.11 -0.44 1.13 2.86 -1.13 -2.48 114.93 114.62 1f54 h MET 52 Ca 0.08 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.86 1f54 h MET 52 Cb 0.26 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1f54 h MET 52 CO -0.20 0.17 0.61 -0.91 1.06 0.00 0.00 176.91 177.64 1f54 h ASN 53 N -0.38 0.00 0.75 1.22 2.35 -1.12 2.37 115.58 120.78 1f54 h ASN 53 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1f54 h ASN 53 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 1f54 h ASN 53 CO 0.02 0.00 -0.01 1.21 -1.65 0.00 0.00 177.43 177.00 1f54 n GLU 54 N -3.41 0.24 0.00 0.81 2.13 -0.67 -4.39 120.64 115.35 1f54 n GLU 54 Ca 0.08 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1f54 n GLU 54 Cb 0.78 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.99 1f54 n GLU 54 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1f54 n ILE 55 N -1.38 0.00 -1.70 6.31 3.06 0.46 -5.07 119.36 121.04 1f54 n ILE 55 Ca 0.11 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 59.93 1f54 n ILE 55 Cb 0.29 -0.19 -0.03 0.00 0.54 0.00 0.00 39.64 40.25 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 -1.86 3.83 0.00 9.51 2.03 0.69 -4.85 116.55 125.90 1f54 n ASP 56 Ca 0.00 1.05 0.00 0.00 0.52 0.00 0.00 54.79 56.36 1f54 n ASP 56 Cb 0.01 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 38.87 1f54 n ASP 56 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1f54 n VAL 57 N 4.02 0.00 -0.10 5.18 3.14 -1.26 -4.67 118.33 124.63 1f54 n VAL 57 Ca 0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.55 1f54 n VAL 57 Cb 0.34 -0.65 0.00 0.00 -1.06 0.00 0.00 33.84 32.47 1f54 n VAL 57 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1f54 n ASP 58 N -1.57 1.22 0.00 6.55 5.68 -1.26 -5.05 116.55 122.12 1f54 n ASP 58 Ca 0.00 -1.32 0.00 0.00 -0.50 0.00 0.00 54.79 52.97 1f54 n ASP 58 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 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 -0.16 2.04 2.82 6.12 0.00 -1.26 -4.72 105.19 110.02 1f54 n GLY 59 Ca 0.00 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 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 2.88 6.94 -4.69 1.61 3.02 -1.26 -4.68 115.26 119.08 1f54 n ASN 60 Ca 0.00 -3.81 -0.30 0.00 -0.03 0.00 0.00 54.58 50.44 1f54 n ASN 60 Cb 0.00 -0.95 0.15 0.00 -0.61 0.00 0.00 39.78 38.37 1f54 n ASN 60 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1f54 s HIS 61 N -3.98 2.05 -0.53 3.10 -3.43 -1.26 -4.85 115.29 106.39 1f54 s HIS 61 Ca 0.51 1.50 -0.18 0.00 -0.80 0.00 0.00 55.06 56.08 1f54 s HIS 61 Cb 0.42 -3.18 0.07 0.00 -1.43 0.00 0.00 32.58 28.47 1f54 s HIS 61 CO -0.36 -2.54 0.61 1.14 -2.00 0.00 0.00 174.74 171.59 1f54 s GLN 62 N -4.78 3.08 0.55 -0.38 0.00 -1.26 -3.74 119.66 113.13 1f54 s GLN 62 Ca 0.64 -1.10 -0.19 0.00 -0.00 0.00 0.00 55.36 54.72 1f54 s GLN 62 Cb -0.20 -4.16 -0.05 0.00 0.00 0.00 0.00 33.01 28.60 1f54 s GLN 62 CO 0.58 -1.29 1.12 0.42 0.00 0.00 0.00 175.29 176.12 1f54 s ILE 63 N 2.49 3.20 -0.14 3.63 1.01 0.35 -4.73 121.20 127.01 1f54 s ILE 63 Ca 0.12 0.73 -0.01 0.00 0.00 0.00 0.00 60.65 61.49 1f54 s ILE 63 Cb -0.22 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 1f54 s ILE 63 CO 0.09 -0.18 -0.11 -1.61 0.00 0.00 0.00 174.94 173.14 1f54 s GLU 64 N -3.36 3.44 0.49 2.79 2.02 -1.26 -0.67 118.70 122.14 1f54 s GLU 64 Ca 0.72 -0.65 0.36 0.00 0.02 0.00 0.00 54.97 55.42 1f54 s GLU 64 Cb -0.23 -2.72 1.52 0.00 0.10 0.00 0.00 34.13 32.80 1f54 s GLU 64 CO 0.28 0.18 1.64 0.35 0.02 0.00 0.00 175.26 177.73 1f54 h PHE 65 N 6.83 0.31 0.00 1.61 3.57 -1.87 0.18 116.94 127.57 1f54 h PHE 65 Ca -0.28 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1f54 h PHE 65 Cb 1.20 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1f54 h PHE 65 CO 0.51 -0.10 0.00 -1.13 -2.23 0.00 0.00 178.31 175.36 1f54 n SER 66 N -4.40 0.00 -0.26 0.41 3.41 -1.26 -2.53 113.62 108.98 1f54 n SER 66 Ca 0.37 0.65 0.24 0.00 -0.26 0.00 0.00 58.87 59.87 1f54 n SER 66 Cb 1.55 -0.31 0.58 0.00 -0.26 0.00 0.00 64.21 65.76 1f54 n SER 66 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1f54 h GLU 67 N 0.00 0.28 0.32 4.33 4.11 -1.81 0.28 114.58 122.09 1f54 h GLU 67 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.41 1f54 h GLU 67 Cb 0.00 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1f54 h GLU 67 CO 0.00 0.18 -0.48 0.35 0.07 0.00 0.00 179.01 179.14 1f54 h PHE 68 N 0.28 -1.34 -0.02 2.06 3.57 -0.67 -1.82 116.94 119.01 1f54 h PHE 68 Ca 0.51 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.83 1f54 h PHE 68 Cb 1.49 0.54 0.02 0.00 2.79 0.00 0.00 35.95 40.79 1f54 h PHE 68 CO -0.00 -0.59 -0.78 -0.07 -2.23 0.00 0.00 178.31 174.63 1f54 h LEU 69 N -0.83 0.71 -1.60 0.59 4.07 -1.07 -1.42 115.31 115.77 1f54 h LEU 69 Ca -0.04 -0.74 0.19 0.00 0.08 0.00 0.00 57.88 57.38 1f54 h LEU 69 Cb 0.76 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.26 1f54 h LEU 69 CO -0.14 1.36 0.76 0.00 -1.08 0.00 0.00 178.44 179.33 1f54 h ALA 70 N 0.37 2.44 0.00 1.53 0.00 -0.41 0.88 119.26 124.07 1f54 h ALA 70 Ca -0.09 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.51 1f54 h ALA 70 Cb 1.46 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.25 1f54 h ALA 70 CO 0.15 -1.10 -2.07 1.28 0.00 0.00 0.00 179.25 177.51 1f54 n LEU 71 N -3.49 0.29 0.24 0.00 4.32 -0.69 -4.39 117.00 113.29 1f54 n LEU 71 Ca 0.14 -0.01 0.10 0.00 -0.02 0.00 0.00 56.01 56.22 1f54 n LEU 71 Cb 0.99 0.28 0.61 0.00 -1.62 0.00 0.00 43.42 43.68 1f54 n LEU 71 CO 0.25 0.43 0.90 0.24 -1.22 0.00 0.00 177.39 177.99 1f54 h MET 72 N 0.00 0.00 0.00 3.23 2.86 0.25 -2.25 114.93 119.02 1f54 h MET 72 Ca -0.42 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1f54 h MET 72 Cb 1.93 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.59 1f54 h MET 72 CO 0.01 0.18 0.04 0.43 1.06 0.00 0.00 176.91 178.63 1f54 n SER 73 N -3.70 0.52 -0.06 1.22 7.64 -0.32 -2.56 113.62 116.36 1f54 n SER 73 Ca -0.02 0.73 -0.07 0.00 1.01 0.00 0.00 58.87 60.52 1f54 n SER 73 Cb 0.30 -0.79 -0.01 0.00 -1.01 0.00 0.00 64.21 62.70 1f54 n SER 73 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1f54 h ARG 74 N 0.00 -0.18 -0.61 1.43 2.47 -1.69 -3.42 114.38 112.39 1f54 h ARG 74 Ca 0.00 0.01 0.14 0.00 -1.26 0.00 0.00 59.98 58.87 1f54 h ARG 74 Cb 0.08 0.04 -0.20 0.00 -1.65 0.00 0.00 29.97 28.24 1f54 h ARG 74 CO 0.00 -0.12 -0.15 -0.65 0.56 0.00 0.00 179.97 179.62 1f54 s GLN 75 N -6.12 0.34 0.06 0.04 -0.21 -1.06 -5.16 119.66 107.55 1f54 s GLN 75 Ca -0.14 0.41 0.07 0.00 0.02 0.00 0.00 55.36 55.71 1f54 s GLN 75 Cb 0.13 0.20 -0.03 0.00 1.00 0.00 0.00 33.01 34.31 1f54 s GLN 75 CO 0.69 -0.57 -0.19 -1.17 -2.12 0.00 0.00 175.29 171.93 1f54 s LEU 76 N 2.90 2.21 0.00 2.90 0.20 -1.26 -5.07 118.68 120.57 1f54 s LEU 76 Ca 0.16 -0.56 0.13 0.00 0.69 0.00 0.00 54.13 54.56 1f54 s LEU 76 Cb -0.07 -0.84 0.10 0.00 -0.43 0.00 0.00 46.19 44.95 1f54 s LEU 76 CO -0.22 0.09 0.92 0.29 -0.29 0.00 0.00 176.35 177.14