#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f54 h SER 2 N 0.00 0.06 -0.42 -3.46 0.87 -2.06 -3.37 113.55 105.18 1f54 h SER 2 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 1f54 h SER 2 Cb 0.00 -0.01 -0.15 0.00 -0.44 0.00 0.00 62.40 61.80 1f54 h SER 2 CO 0.00 0.03 -0.23 -3.20 -0.53 0.00 0.00 176.83 172.90 1f54 n ASN 3 N -4.38 -2.05 -1.36 6.23 2.85 -1.26 -5.14 115.26 110.14 1f54 n ASN 3 Ca 0.12 -1.55 0.17 0.00 -0.11 0.00 0.00 54.58 53.21 1f54 n ASN 3 Cb 0.65 1.04 -0.06 0.00 1.24 0.00 0.00 39.78 42.65 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1f54 n LEU 4 N 2.67 -0.78 0.00 1.20 7.94 -1.26 -5.05 117.00 121.72 1f54 n LEU 4 Ca 0.13 1.78 0.00 0.00 -1.11 0.00 0.00 56.01 56.81 1f54 n LEU 4 Cb 0.62 -4.38 0.00 0.00 0.53 0.00 0.00 43.42 40.20 1f54 n LEU 4 CO -0.08 -2.85 0.00 0.41 -1.11 0.00 0.00 177.39 173.76 1f54 n THR 5 N -4.07 0.00 0.19 1.96 -1.04 -1.26 -4.83 114.28 105.23 1f54 n THR 5 Ca -0.03 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.90 1f54 n THR 5 Cb 0.67 0.00 -0.04 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 -0.47 -0.94 -2.82 5.08 -2.00 -1.89 114.58 111.54 1f54 h GLU 6 Ca 0.00 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.57 1f54 h GLU 6 Cb 0.00 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.25 1f54 h GLU 6 CO 0.00 -0.32 0.52 0.93 -1.00 0.00 0.00 179.01 179.15 1f54 h GLU 7 N -0.52 0.65 0.37 2.33 5.08 -1.99 -2.04 114.58 118.46 1f54 h GLU 7 Ca -0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1f54 h GLU 7 Cb 0.38 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1f54 h GLU 7 CO 0.08 0.43 -0.46 0.37 -1.00 0.00 0.00 179.01 178.43 1f54 h GLN 8 N 0.67 -0.83 -0.93 2.33 4.15 -1.92 -1.03 115.11 117.55 1f54 h GLN 8 Ca 0.54 0.06 0.22 0.00 0.77 0.00 0.00 58.65 60.23 1f54 h GLN 8 Cb 0.84 0.19 -0.07 0.00 0.21 0.00 0.00 27.48 28.64 1f54 h GLN 8 CO -0.39 -0.55 0.62 0.82 -1.93 0.00 0.00 178.83 177.39 1f54 h ILE 9 N -0.86 0.64 0.53 2.39 2.04 -0.72 -2.11 117.51 119.42 1f54 h ILE 9 Ca -0.04 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 1f54 h ILE 9 Cb 0.77 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1f54 h ILE 9 CO -0.11 0.07 -0.25 0.00 0.00 0.00 0.00 178.15 177.86 1f54 h ALA 10 N 1.61 -1.12 -1.12 1.87 0.00 -0.55 -1.88 119.26 118.06 1f54 h ALA 10 Ca 0.49 -0.16 0.31 0.00 0.00 0.00 0.00 54.91 55.56 1f54 h ALA 10 Cb 1.26 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 19.23 1f54 h ALA 10 CO -0.19 -1.07 0.74 0.93 0.00 0.00 0.00 179.25 179.66 1f54 h GLU 11 N -0.75 0.26 -0.17 0.00 5.08 -0.81 0.15 114.58 118.34 1f54 h GLU 11 Ca -0.07 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1f54 h GLU 11 Cb 0.54 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1f54 h GLU 11 CO 0.12 0.17 0.06 0.74 -1.00 0.00 0.00 179.01 179.10 1f54 h PHE 12 N 0.27 0.26 -0.03 4.33 -1.00 -1.08 -2.52 116.94 117.18 1f54 h PHE 12 Ca 0.63 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 61.42 1f54 h PHE 12 Cb 1.84 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 41.28 1f54 h PHE 12 CO -0.00 0.34 -0.19 -0.22 -1.61 0.00 0.00 178.31 176.62 1f54 h LYS 13 N 0.12 -0.28 -0.97 1.51 3.64 0.11 0.10 116.57 120.80 1f54 h LYS 13 Ca 0.06 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.64 1f54 h LYS 13 Cb 0.19 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 31.98 1f54 h LYS 13 CO -0.00 -0.19 0.61 0.93 -2.27 0.00 0.00 179.45 178.53 1f54 h GLU 14 N -0.29 0.64 0.00 1.90 5.08 -1.39 0.47 114.58 120.98 1f54 h GLU 14 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1f54 h GLU 14 Cb 0.38 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1f54 h GLU 14 CO -0.20 0.42 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 1f54 n ALA 15 N -2.40 -0.20 -0.32 3.43 0.00 -0.45 -1.02 120.51 119.54 1f54 n ALA 15 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.74 1f54 n ALA 15 Cb 0.60 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.24 0.00 0.00 3.57 -0.91 1.65 116.94 121.00 1f54 h PHE 16 Ca 0.00 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1f54 h PHE 16 Cb 0.00 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1f54 h PHE 16 CO 0.09 -0.39 -0.15 0.00 -2.23 0.00 0.00 178.31 175.63 1f54 h ALA 17 N 1.91 1.05 0.00 2.41 0.00 -1.00 -2.67 119.26 120.97 1f54 h ALA 17 Ca 0.50 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1f54 h ALA 17 Cb 0.90 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1f54 h ALA 17 CO -0.90 0.19 0.00 1.25 0.00 0.00 0.00 179.25 179.80 1f54 h LEU 18 N 0.00 0.00 -2.51 0.00 6.46 0.42 -2.04 115.31 117.64 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 0.63 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 1f54 h LEU 18 CO 0.02 0.00 -0.09 0.49 -0.62 0.00 0.00 178.44 178.24 1f54 n PHE 19 N -2.41 0.00 -1.59 1.25 3.01 -1.02 -4.99 117.46 111.72 1f54 n PHE 19 Ca -0.01 -0.51 -0.20 0.00 1.01 0.00 0.00 57.45 57.74 1f54 n PHE 19 Cb 0.09 -0.08 -0.06 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 -1.51 4.07 0.09 4.37 -4.77 -0.77 -4.72 116.67 113.44 1f54 s ASP 20 Ca 0.11 0.29 -0.24 0.00 -3.30 0.00 0.00 52.55 49.41 1f54 s ASP 20 Cb 0.10 -2.54 -0.14 0.00 -1.09 0.00 0.00 42.92 39.25 1f54 s ASP 20 CO 0.01 -3.59 1.72 0.11 0.70 0.00 0.00 175.17 174.12 1f54 h LYS 21 N 14.40 -0.14 0.00 2.11 1.79 -1.91 -1.71 116.57 131.11 1f54 h LYS 21 Ca -0.06 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1f54 h LYS 21 Cb 1.07 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1f54 h LYS 21 CO 1.05 -0.09 0.00 -0.25 -1.08 0.00 0.00 179.45 179.08 1f54 n ASP 22 N -5.17 0.00 0.00 0.86 9.92 -1.26 -4.86 116.55 116.04 1f54 n ASP 22 Ca -0.07 0.42 0.00 0.00 -0.53 0.00 0.00 54.79 54.61 1f54 n ASP 22 Cb 0.10 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 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 -1.47 -4.83 -3.24 -2.24 2.85 -0.65 -4.86 115.26 100.81 1f54 n ASN 23 Ca 0.07 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.15 1f54 n ASN 23 Cb 0.28 -2.60 0.02 0.00 1.24 0.00 0.00 39.78 38.72 1f54 n ASN 23 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1f54 n ASN 24 N -0.67 7.12 -2.00 1.20 3.02 -1.26 -4.80 115.26 117.87 1f54 n ASN 24 Ca 0.00 -3.75 -0.05 0.00 -0.03 0.00 0.00 54.58 50.75 1f54 n ASN 24 Cb 0.34 -1.05 -0.01 0.00 -0.61 0.00 0.00 39.78 38.44 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 -0.29 -0.17 2.77 7.41 0.00 -1.26 -4.86 105.19 108.79 1f54 n GLY 25 Ca 0.48 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.79 0.38 0.41 1.61 1.04 -1.26 -1.95 113.70 112.14 1f54 s SER 26 Ca 0.00 0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.47 1f54 s SER 26 Cb 0.00 -0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.00 1f54 s SER 26 CO 0.00 -0.14 0.14 2.30 0.98 0.00 0.00 173.24 176.51 1f54 n ILE 27 N 4.38 0.00 -4.04 -1.02 -5.35 -0.28 -4.15 119.36 108.90 1f54 n ILE 27 Ca -0.23 -1.78 -0.27 0.00 -0.27 0.00 0.00 62.75 60.20 1f54 n ILE 27 Cb 0.50 0.15 -0.05 0.00 -1.74 0.00 0.00 39.64 38.50 1f54 n ILE 27 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1f54 s SER 28 N -3.31 5.75 0.11 7.28 0.15 -1.26 0.25 113.70 122.67 1f54 s SER 28 Ca 0.10 -0.03 -0.25 0.00 0.70 0.00 0.00 55.95 56.47 1f54 s SER 28 Cb -0.01 -1.58 -0.08 0.00 -1.71 0.00 0.00 66.02 62.65 1f54 s SER 28 CO 0.07 0.08 1.43 -1.28 1.20 0.00 0.00 173.24 174.74 1f54 h SER 29 N 2.48 -1.55 -1.22 5.45 0.87 -1.84 1.03 113.55 118.77 1f54 h SER 29 Ca -0.48 0.21 0.35 0.00 -1.23 0.00 0.00 61.79 60.65 1f54 h SER 29 Cb 1.19 0.65 -0.05 0.00 -0.44 0.00 0.00 62.40 63.75 1f54 h SER 29 CO 0.65 -0.28 1.08 -1.28 -0.53 0.00 0.00 176.83 176.48 1f54 h SER 30 N -0.22 0.00 0.56 6.23 0.87 -1.93 1.09 113.55 120.15 1f54 h SER 30 Ca 0.08 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.35 1f54 h SER 30 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1f54 h SER 30 CO -0.55 0.00 -1.36 -0.33 -0.53 0.00 0.00 176.83 174.05 1f54 h GLU 31 N 0.00 0.26 -0.64 2.24 4.39 0.67 -3.32 114.58 118.19 1f54 h GLU 31 Ca 0.58 -0.45 0.07 0.00 0.34 0.00 0.00 59.36 59.90 1f54 h GLU 31 Cb 2.73 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 31.49 1f54 h GLU 31 CO -0.01 1.17 0.32 1.25 -1.16 0.00 0.00 179.01 180.59 1f54 h LEU 32 N 0.07 0.44 -1.01 1.33 5.85 0.25 -0.74 115.31 121.52 1f54 h LEU 32 Ca -0.18 0.04 0.18 0.00 0.84 0.00 0.00 57.88 58.77 1f54 h LEU 32 Cb 1.99 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.88 1f54 h LEU 32 CO 0.19 0.28 0.61 0.00 -0.34 0.00 0.00 178.44 179.18 1f54 h ALA 33 N 1.36 1.65 0.21 1.25 0.00 -1.61 0.65 119.26 122.77 1f54 h ALA 33 Ca 0.30 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1f54 h ALA 33 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1f54 h ALA 33 CO -0.22 -0.02 -0.10 1.15 0.00 0.00 0.00 179.25 180.07 1f54 h THR 34 N 0.79 0.00 -1.50 0.00 2.02 -1.28 -2.69 112.91 110.25 1f54 h THR 34 Ca 0.57 -0.08 0.44 0.00 0.77 0.00 0.00 66.41 68.11 1f54 h THR 34 Cb 0.86 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.19 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 -0.36 0.22 0.87 3.16 -1.51 -1.17 0.13 116.25 117.59 1f54 h VAL 35 Ca -0.03 -0.01 -0.04 0.00 -1.23 0.00 0.00 66.70 65.39 1f54 h VAL 35 Cb 0.22 0.18 0.01 0.00 -2.13 0.00 0.00 31.29 29.56 1f54 h VAL 35 CO 0.05 0.01 -0.42 -0.03 -1.23 0.00 0.00 177.57 175.94 1f54 h MET 36 N 0.04 -1.13 0.00 5.19 4.05 -0.62 -2.42 114.93 120.03 1f54 h MET 36 Ca 0.75 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 60.24 1f54 h MET 36 Cb 2.84 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 33.90 1f54 h MET 36 CO -0.09 -0.75 0.00 -0.09 0.23 0.00 0.00 176.91 176.21 1f54 h ARG 37 N -1.20 0.00 -0.26 0.39 2.43 -0.71 -2.99 114.38 112.04 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 0.90 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1f54 h ARG 37 CO 0.20 0.00 -0.26 0.77 -1.51 0.00 0.00 179.97 179.16 1f54 h SER 38 N 0.00 0.52 0.13 -3.80 0.02 -0.61 -2.62 113.55 107.19 1f54 h SER 38 Ca 0.00 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 1f54 h SER 38 Cb 0.55 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1f54 h SER 38 CO 0.00 0.77 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.30 1f54 h LEU 39 N 0.45 0.00 0.00 5.07 3.38 -1.28 -3.45 115.31 119.48 1f54 h LEU 39 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1f54 h LEU 39 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1f54 h LEU 39 CO 0.05 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.28 1f54 n GLY 40 N -1.15 1.01 1.68 0.83 0.00 -0.99 -5.11 105.19 101.46 1f54 n GLY 40 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.93 0.99 -0.00 -1.21 -5.07 117.00 108.77 1f54 n LEU 41 Ca 0.00 -1.62 -0.01 0.00 -0.00 0.00 0.00 56.01 54.38 1f54 n LEU 41 Cb 0.00 0.71 0.00 0.00 -0.00 0.00 0.00 43.42 44.13 1f54 n LEU 41 CO 0.00 -0.26 0.22 -0.44 -0.00 0.00 0.00 177.39 176.91 1f54 s SER 42 N -2.24 -1.14 0.00 1.45 0.01 -1.25 -4.26 113.70 106.27 1f54 s SER 42 Ca 0.16 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.53 1f54 s SER 42 Cb 0.01 1.47 0.00 0.00 0.21 0.00 0.00 66.02 67.71 1f54 s SER 42 CO 0.11 -0.09 0.00 -0.81 0.41 0.00 0.00 173.24 172.86 1f54 n PRO 43 N 3.63 1.06 -4.15 12.44 -0.04 -1.26 -5.04 135.00 141.64 1f54 n PRO 43 Ca 0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 1f54 n PRO 43 Cb 0.59 0.00 -0.09 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 -1.38 0.18 0.14 3.54 1.04 -1.26 -5.01 113.70 110.94 1f54 s SER 44 Ca 0.00 -1.29 -0.30 0.00 0.48 0.00 0.00 55.95 54.83 1f54 s SER 44 Cb 0.00 0.45 -0.09 0.00 0.10 0.00 0.00 66.02 66.48 1f54 s SER 44 CO 0.00 -0.94 1.51 -0.33 0.98 0.00 0.00 173.24 174.46 1f54 h GLU 45 N 2.49 -0.20 -0.80 4.02 5.08 -1.99 0.70 114.58 123.88 1f54 h GLU 45 Ca -0.33 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.19 1f54 h GLU 45 Cb 1.25 0.04 -0.14 0.00 0.50 0.00 0.00 28.75 30.40 1f54 h GLU 45 CO 0.47 -0.13 -0.32 0.00 -1.00 0.00 0.00 179.01 178.04 1f54 h ALA 46 N 0.12 0.20 -0.75 3.43 0.00 -2.00 1.04 119.26 121.31 1f54 h ALA 46 Ca 0.11 0.25 0.14 0.00 0.00 0.00 0.00 54.91 55.40 1f54 h ALA 46 Cb 0.48 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1f54 h ALA 46 CO -0.71 -0.58 0.50 1.49 0.00 0.00 0.00 179.25 179.96 1f54 h GLU 47 N -0.06 0.47 0.00 0.00 4.57 -1.30 -2.12 114.58 116.14 1f54 h GLU 47 Ca 0.32 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1f54 h GLU 47 Cb 0.59 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1f54 h GLU 47 CO -0.84 0.31 -0.00 0.28 -1.18 0.00 0.00 179.01 177.58 1f54 h VAL 48 N 0.48 1.47 -0.80 0.32 2.07 0.21 -0.17 116.25 119.83 1f54 h VAL 48 Ca 0.37 -1.38 0.19 0.00 0.82 0.00 0.00 66.70 66.70 1f54 h VAL 48 Cb 0.75 2.40 -0.13 0.00 -1.52 0.00 0.00 31.29 32.79 1f54 h VAL 48 CO -0.12 0.36 0.10 -1.13 0.02 0.00 0.00 177.57 176.79 1f54 h ASN 49 N -0.59 -0.19 0.01 0.57 -1.24 -0.36 0.43 115.58 114.20 1f54 h ASN 49 Ca -0.00 0.19 -0.06 0.00 0.71 0.00 0.00 56.30 57.14 1f54 h ASN 49 Cb 0.59 0.30 0.00 0.00 0.73 0.00 0.00 38.32 39.94 1f54 h ASN 49 CO 0.00 -0.16 -0.23 -0.78 -1.29 0.00 0.00 177.43 174.97 1f54 h ASP 50 N 0.16 0.19 -0.48 1.15 1.82 -1.50 -0.36 116.42 117.39 1f54 h ASP 50 Ca 0.46 -0.81 0.14 0.00 -0.39 0.00 0.00 57.03 56.43 1f54 h ASP 50 Cb 0.85 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.79 1f54 h ASP 50 CO -0.65 0.97 0.35 0.25 -1.61 0.00 0.00 179.24 178.55 1f54 h LEU 51 N -0.57 0.01 0.00 2.28 5.85 -0.03 -2.19 115.31 120.66 1f54 h LEU 51 Ca -0.03 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 1f54 h LEU 51 Cb 1.01 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1f54 h LEU 51 CO 0.05 0.01 -0.86 -0.03 -0.34 0.00 0.00 178.44 177.26 1f54 h MET 52 N 0.01 0.00 -0.50 1.25 4.05 -0.20 -3.34 114.93 116.20 1f54 h MET 52 Ca 0.23 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.79 1f54 h MET 52 Cb 0.91 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.69 1f54 h MET 52 CO -0.00 0.68 0.77 -0.91 0.23 0.00 0.00 176.91 177.67 1f54 h ASN 53 N -1.00 0.00 0.08 1.39 -0.26 -0.83 2.56 115.58 117.52 1f54 h ASN 53 Ca -0.20 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.54 1f54 h ASN 53 Cb 0.99 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 1f54 h ASN 53 CO -0.12 0.00 -0.02 -0.62 -1.06 0.00 0.00 177.43 175.60 1f54 n GLU 54 N -3.24 1.13 0.00 0.81 -0.58 -0.84 -4.50 120.64 113.42 1f54 n GLU 54 Ca 0.10 -0.36 0.00 0.00 -0.42 0.00 0.00 57.16 56.48 1f54 n GLU 54 Cb 0.95 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 1f54 n GLU 54 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1f54 n ILE 55 N -0.62 0.00 -1.55 -3.67 3.06 0.69 -5.09 119.36 112.18 1f54 n ILE 55 Ca 0.20 0.00 -0.58 0.00 -2.50 0.00 0.00 62.75 59.87 1f54 n ILE 55 Cb 0.23 -0.08 -0.08 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 -1.83 0.62 -0.12 9.51 2.03 0.70 -4.87 116.55 122.58 1f54 n ASP 56 Ca 0.00 1.15 -0.26 0.00 0.52 0.00 0.00 54.79 56.20 1f54 n ASP 56 Cb 0.00 -1.00 -0.09 0.00 -0.72 0.00 0.00 41.12 39.32 1f54 n ASP 56 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1f54 n VAL 57 N 2.08 1.34 0.08 5.18 0.31 -1.26 -4.80 118.33 121.26 1f54 n VAL 57 Ca 0.21 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1f54 n VAL 57 Cb 0.10 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 1f54 n VAL 57 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1f54 n ASP 58 N -4.10 0.11 0.00 4.52 9.92 -1.26 -5.08 116.55 120.66 1f54 n ASP 58 Ca -0.47 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.05 1f54 n ASP 58 Cb 0.83 0.14 0.00 0.00 -0.64 0.00 0.00 41.12 41.46 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1f54 n GLY 59 N 2.00 -1.85 2.68 0.44 0.00 -1.26 -4.97 105.19 102.23 1f54 n GLY 59 Ca 0.00 0.48 -0.36 0.00 0.00 0.00 0.00 46.02 46.14 1f54 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f54 n ASN 60 N -2.12 6.95 -4.52 1.61 6.94 -1.26 -4.70 115.26 118.16 1f54 n ASN 60 Ca 0.00 -3.81 -0.32 0.00 -0.02 0.00 0.00 54.58 50.44 1f54 n ASN 60 Cb 0.00 -0.91 0.16 0.00 -2.36 0.00 0.00 39.78 36.67 1f54 n ASN 60 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1f54 n HIS 61 N -0.61 -0.41 -3.12 -2.53 1.44 -1.26 -4.78 115.22 103.95 1f54 n HIS 61 Ca 0.53 0.27 -0.43 0.00 -2.01 0.00 0.00 57.72 56.07 1f54 n HIS 61 Cb 0.43 -1.86 -0.07 0.00 0.12 0.00 0.00 29.99 28.61 1f54 n HIS 61 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 1f54 s GLN 62 N -4.13 3.24 0.60 -1.40 -2.07 -1.26 -3.71 119.66 110.92 1f54 s GLN 62 Ca 0.62 -0.48 -0.14 0.00 -1.82 0.00 0.00 55.36 53.54 1f54 s GLN 62 Cb -0.22 -3.98 -0.04 0.00 -1.09 0.00 0.00 33.01 27.68 1f54 s GLN 62 CO 0.63 -1.06 1.03 0.42 -1.32 0.00 0.00 175.29 174.99 1f54 s ILE 63 N 2.80 4.35 -0.13 3.63 1.01 0.70 -4.82 121.20 128.74 1f54 s ILE 63 Ca 0.21 0.94 0.02 0.00 0.00 0.00 0.00 60.65 61.82 1f54 s ILE 63 Cb -0.15 -3.64 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 1f54 s ILE 63 CO 0.17 -0.82 -0.18 -1.61 0.00 0.00 0.00 174.94 172.50 1f54 s GLU 64 N -4.58 3.18 0.37 2.79 2.02 -1.26 -1.13 118.70 120.09 1f54 s GLU 64 Ca 0.58 -0.79 0.20 0.00 0.02 0.00 0.00 54.97 54.98 1f54 s GLU 64 Cb -0.12 -2.50 1.22 0.00 0.10 0.00 0.00 34.13 32.83 1f54 s GLU 64 CO 0.44 0.12 1.64 0.35 0.02 0.00 0.00 175.26 177.83 1f54 h PHE 65 N 6.96 0.80 0.00 1.61 3.57 -1.76 0.81 116.94 128.92 1f54 h PHE 65 Ca -0.26 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.27 1f54 h PHE 65 Cb 1.21 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1f54 h PHE 65 CO 0.49 -0.23 0.00 -1.13 -2.23 0.00 0.00 178.31 175.21 1f54 n SER 66 N -4.98 0.00 -0.31 0.41 3.41 -1.26 -2.38 113.62 108.51 1f54 n SER 66 Ca 0.34 0.52 0.17 0.00 -0.26 0.00 0.00 58.87 59.64 1f54 n SER 66 Cb 1.14 -0.02 0.36 0.00 -0.26 0.00 0.00 64.21 65.44 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 0.24 -0.59 4.33 4.11 -1.89 0.31 114.58 121.09 1f54 h GLU 67 Ca 0.00 -0.01 0.06 0.00 0.07 0.00 0.00 59.36 59.47 1f54 h GLU 67 Cb 0.00 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.11 1f54 h GLU 67 CO 0.00 0.16 -0.50 0.35 0.07 0.00 0.00 179.01 179.09 1f54 h PHE 68 N 0.25 -1.57 -0.08 2.06 3.57 -0.80 0.33 116.94 120.71 1f54 h PHE 68 Ca 0.63 0.09 -0.07 0.00 3.53 0.00 0.00 57.97 62.15 1f54 h PHE 68 Cb 1.34 0.76 0.00 0.00 2.79 0.00 0.00 35.95 40.84 1f54 h PHE 68 CO -0.17 -0.38 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.24 1f54 h LEU 69 N -0.19 0.32 -1.42 0.59 4.07 -0.82 0.49 115.31 118.35 1f54 h LEU 69 Ca 0.10 -0.59 0.21 0.00 0.08 0.00 0.00 57.88 57.67 1f54 h LEU 69 Cb 0.45 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.06 1f54 h LEU 69 CO -0.65 0.86 0.88 0.00 -1.08 0.00 0.00 178.44 178.45 1f54 h ALA 70 N 0.47 2.55 0.00 1.53 0.00 -0.40 0.22 119.26 123.64 1f54 h ALA 70 Ca -0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1f54 h ALA 70 Cb 0.82 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1f54 h ALA 70 CO 0.05 -1.26 -1.45 1.28 0.00 0.00 0.00 179.25 177.87 1f54 n LEU 71 N -3.39 0.00 0.00 0.00 4.32 0.05 -4.48 117.00 113.51 1f54 n LEU 71 Ca 0.16 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.28 1f54 n LEU 71 Cb 1.12 0.08 0.62 0.00 -1.62 0.00 0.00 43.42 43.62 1f54 n LEU 71 CO 0.24 0.08 0.95 0.80 -1.22 0.00 0.00 177.39 178.23 1f54 n MET 72 N -2.00 0.14 -0.20 3.23 1.56 0.17 -3.14 117.12 116.88 1f54 n MET 72 Ca -0.06 0.03 0.03 0.00 -0.27 0.00 0.00 57.70 57.43 1f54 n MET 72 Cb 0.44 -1.50 0.11 0.00 2.15 0.00 0.00 33.22 34.42 1f54 n MET 72 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1f54 n SER 73 N -1.43 1.88 0.06 6.12 7.64 0.00 -4.14 113.62 123.76 1f54 n SER 73 Ca 0.09 -2.16 -0.13 0.00 1.01 0.00 0.00 58.87 57.68 1f54 n SER 73 Cb 0.28 -0.38 -0.08 0.00 -1.01 0.00 0.00 64.21 63.03 1f54 n SER 73 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1f54 h ARG 74 N 1.22 -0.08 0.00 1.43 2.43 -1.83 -3.44 114.38 114.10 1f54 h ARG 74 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1f54 h ARG 74 Cb 0.66 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1f54 h ARG 74 CO 0.08 0.03 0.00 0.00 -1.51 0.00 0.00 179.97 178.57 1f54 n GLN 75 N -5.09 0.00 -2.53 0.20 10.64 -1.26 -5.12 117.38 114.23 1f54 n GLN 75 Ca -0.08 0.00 -0.04 0.00 -1.83 0.00 0.00 57.00 55.05 1f54 n GLN 75 Cb 0.10 -0.17 -0.03 0.00 -0.86 0.00 0.00 30.24 29.27 1f54 n GLN 75 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1f54 n LEU 76 N -1.39 -6.23 -0.81 2.61 0.00 -1.26 -5.12 117.00 104.80 1f54 n LEU 76 Ca 0.00 1.92 0.13 0.00 0.00 0.00 0.00 56.01 58.06 1f54 n LEU 76 Cb 0.00 -3.11 0.23 0.00 0.00 0.00 0.00 43.42 40.54 1f54 n LEU 76 CO 0.00 -3.52 0.70 1.17 0.00 0.00 0.00 177.39 175.74