#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 0.79 0.00 6.43 7.64 -1.26 -5.08 113.62 122.13 1f54 n SER 2 Ca 0.00 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1f54 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1f54 n SER 2 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1f54 n ASN 3 N -0.01 0.00 0.00 6.43 0.23 -1.26 -5.03 115.26 115.62 1f54 n ASN 3 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1f54 n ASN 3 Cb 0.00 0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 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 -2.00 0.00 0.00 -4.53 7.94 -1.26 -4.52 117.00 112.63 1f54 n LEU 4 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1f54 n LEU 4 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1f54 n LEU 4 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.39 176.69 1f54 n THR 5 N -0.17 0.00 -0.08 1.96 -1.04 -1.26 -4.97 114.28 108.72 1f54 n THR 5 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1f54 n THR 5 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 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 0.56 -0.24 -2.82 4.11 -2.03 -2.45 114.58 111.72 1f54 h GLU 6 Ca 0.00 -0.28 -0.15 0.00 0.07 0.00 0.00 59.36 59.00 1f54 h GLU 6 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1f54 h GLU 6 CO 0.00 0.87 -0.47 0.93 0.07 0.00 0.00 179.01 180.40 1f54 h GLU 7 N 0.27 0.63 0.92 1.06 5.08 -1.99 -2.56 114.58 117.99 1f54 h GLU 7 Ca 0.04 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.00 1f54 h GLU 7 Cb 0.75 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.03 1f54 h GLU 7 CO 0.05 0.97 -0.44 0.37 -1.00 0.00 0.00 179.01 178.96 1f54 h GLN 8 N 0.50 -1.19 -0.92 2.33 4.15 -1.92 -1.76 115.11 116.30 1f54 h GLN 8 Ca 0.03 0.08 0.15 0.00 0.77 0.00 0.00 58.65 59.68 1f54 h GLN 8 Cb 1.01 0.27 -0.08 0.00 0.21 0.00 0.00 27.48 28.89 1f54 h GLN 8 CO 0.09 -0.79 0.59 0.82 -1.93 0.00 0.00 178.83 177.61 1f54 h ILE 9 N -1.24 0.81 -0.09 2.39 2.04 -1.49 -1.19 117.51 118.74 1f54 h ILE 9 Ca -0.13 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1f54 h ILE 9 Cb 0.95 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1f54 h ILE 9 CO 0.21 0.13 -0.02 0.00 0.00 0.00 0.00 178.15 178.46 1f54 h ALA 10 N 1.60 0.05 -0.31 1.87 0.00 -1.02 -1.33 119.26 120.12 1f54 h ALA 10 Ca 0.48 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.47 1f54 h ALA 10 Cb 0.77 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1f54 h ALA 10 CO -0.24 -0.49 0.21 0.93 0.00 0.00 0.00 179.25 179.67 1f54 h GLU 11 N -0.01 0.20 -0.37 0.00 3.07 -0.35 -1.75 114.58 115.38 1f54 h GLU 11 Ca 0.04 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.83 1f54 h GLU 11 Cb 0.07 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1f54 h GLU 11 CO -0.09 0.13 -0.00 0.74 -1.40 0.00 0.00 179.01 178.39 1f54 h PHE 12 N 0.21 0.71 -0.06 4.33 -1.00 -0.79 -2.52 116.94 117.81 1f54 h PHE 12 Ca 0.14 -0.12 0.02 0.00 2.81 0.00 0.00 57.97 60.81 1f54 h PHE 12 Cb 0.29 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 1f54 h PHE 12 CO -0.00 0.74 -0.03 -0.22 -1.61 0.00 0.00 178.31 177.19 1f54 h LYS 13 N 0.47 -0.02 -0.99 1.51 3.64 -0.71 -0.16 116.57 120.30 1f54 h LYS 13 Ca 0.10 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.61 1f54 h LYS 13 Cb 0.46 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.21 1f54 h LYS 13 CO 0.02 -0.02 0.63 1.49 -2.27 0.00 0.00 179.45 179.30 1f54 h GLU 14 N -0.03 0.94 0.02 1.90 4.81 -1.43 0.25 114.58 121.04 1f54 h GLU 14 Ca 0.04 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1f54 h GLU 14 Cb 0.08 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1f54 h GLU 14 CO -0.08 0.62 -0.01 0.00 -0.73 0.00 0.00 179.01 178.81 1f54 h ALA 15 N 1.55 -0.54 -0.89 2.92 0.00 -0.91 0.17 119.26 121.56 1f54 h ALA 15 Ca 0.49 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.57 1f54 h ALA 15 Cb 0.51 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.14 1f54 h ALA 15 CO -0.25 -0.54 -0.23 0.35 0.00 0.00 0.00 179.25 178.57 1f54 h PHE 16 N -0.04 -0.50 -0.21 0.00 3.57 -0.99 0.82 116.94 119.59 1f54 h PHE 16 Ca -0.00 0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 1f54 h PHE 16 Cb 0.02 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1f54 h PHE 16 CO 0.12 -0.39 -0.25 0.00 -2.23 0.00 0.00 178.31 175.57 1f54 h ALA 17 N 1.86 1.20 -0.33 2.41 0.00 -1.02 -2.49 119.26 120.89 1f54 h ALA 17 Ca 0.42 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1f54 h ALA 17 Cb 0.65 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1f54 h ALA 17 CO -0.92 0.52 0.67 1.25 0.00 0.00 0.00 179.25 180.77 1f54 h LEU 18 N 0.34 0.00 -1.26 0.00 6.46 0.38 0.40 115.31 121.62 1f54 h LEU 18 Ca 0.05 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1f54 h LEU 18 Cb 0.62 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.55 1f54 h LEU 18 CO 0.04 0.00 0.00 0.49 -0.62 0.00 0.00 178.44 178.35 1f54 n PHE 19 N -3.14 0.00 -1.90 1.25 3.01 -1.00 -4.93 117.46 110.75 1f54 n PHE 19 Ca 0.06 -0.08 -0.23 0.00 1.01 0.00 0.00 57.45 58.22 1f54 n PHE 19 Cb 0.80 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 40.19 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 -0.15 4.59 0.09 4.37 2.15 0.14 -4.80 116.67 123.06 1f54 s ASP 20 Ca 0.00 -0.93 -0.29 0.00 0.43 0.00 0.00 52.55 51.76 1f54 s ASP 20 Cb 0.00 -2.57 -0.12 0.00 -0.30 0.00 0.00 42.92 39.93 1f54 s ASP 20 CO 0.00 -3.41 1.47 0.50 -0.17 0.00 0.00 175.17 173.56 1f54 h LYS 21 N 11.07 -0.54 -0.35 4.34 3.64 -1.85 0.32 116.57 133.21 1f54 h LYS 21 Ca 0.11 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.62 1f54 h LYS 21 Cb 0.98 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1f54 h LYS 21 CO 1.15 -0.36 0.57 -0.44 -2.27 0.00 0.00 179.45 178.10 1f54 h ASP 22 N -0.56 0.00 -0.04 4.20 3.32 -1.87 -3.44 116.42 118.04 1f54 h ASP 22 Ca 0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1f54 h ASP 22 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1f54 h ASP 22 CO -0.31 0.00 -0.01 -3.20 -1.72 0.00 0.00 179.24 173.99 1f54 n ASN 23 N -3.30 -5.12 -0.18 6.45 2.85 0.11 -4.80 115.26 111.28 1f54 n ASN 23 Ca 0.06 0.02 0.12 0.00 -0.11 0.00 0.00 54.58 54.67 1f54 n ASN 23 Cb 0.72 -2.68 0.15 0.00 1.24 0.00 0.00 39.78 39.20 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 -0.70 1.10 0.00 1.20 3.02 -1.26 -4.91 115.26 113.71 1f54 n ASN 24 Ca -0.01 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1f54 n ASN 24 Cb 0.36 0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.97 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 1.44 1.58 2.93 7.41 0.00 -1.26 -5.06 105.19 112.23 1f54 n GLY 25 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 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 0.73 0.27 1.61 1.04 -1.26 -1.76 113.70 112.34 1f54 s SER 26 Ca 0.00 -0.10 0.05 0.00 0.48 0.00 0.00 55.95 56.38 1f54 s SER 26 Cb 0.00 -0.21 -0.06 0.00 0.10 0.00 0.00 66.02 65.85 1f54 s SER 26 CO 0.00 0.01 -0.02 0.27 0.98 0.00 0.00 173.24 174.48 1f54 s ILE 27 N 0.32 1.35 0.41 -1.02 -4.36 -0.48 -4.36 121.20 113.06 1f54 s ILE 27 Ca -0.04 -2.07 -0.11 0.00 -0.26 0.00 0.00 60.65 58.17 1f54 s ILE 27 Cb -0.08 -2.46 -0.07 0.00 1.25 0.00 0.00 42.46 41.11 1f54 s ILE 27 CO -0.00 -0.26 0.78 -0.55 0.24 0.00 0.00 174.94 175.15 1f54 s SER 28 N -3.40 6.54 0.17 4.36 0.15 -1.26 0.25 113.70 120.51 1f54 s SER 28 Ca 0.30 1.17 -0.22 0.00 0.70 0.00 0.00 55.95 57.90 1f54 s SER 28 Cb 0.05 -2.34 0.08 0.00 -1.71 0.00 0.00 66.02 62.11 1f54 s SER 28 CO 0.11 -0.41 1.60 0.77 1.20 0.00 0.00 173.24 176.52 1f54 h SER 29 N 1.27 -0.99 -0.48 5.45 4.64 -1.88 0.66 113.55 122.22 1f54 h SER 29 Ca -0.47 0.19 0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1f54 h SER 29 Cb 1.19 0.48 -0.02 0.00 -0.31 0.00 0.00 62.40 63.74 1f54 h SER 29 CO 0.64 -0.30 0.75 -1.28 -0.87 0.00 0.00 176.83 175.76 1f54 h SER 30 N -0.21 0.00 0.47 4.97 0.87 -1.93 0.64 113.55 118.36 1f54 h SER 30 Ca 0.19 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.45 1f54 h SER 30 Cb 0.52 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 1f54 h SER 30 CO -0.54 0.00 -1.63 -0.33 -0.53 0.00 0.00 176.83 173.80 1f54 h GLU 31 N 0.00 0.12 -0.98 2.24 5.08 -0.06 -3.35 114.58 117.64 1f54 h GLU 31 Ca 0.23 -0.21 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1f54 h GLU 31 Cb 1.72 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.98 1f54 h GLU 31 CO -0.00 0.87 0.62 1.25 -1.00 0.00 0.00 179.01 180.74 1f54 h LEU 32 N 0.03 0.95 -0.71 1.33 5.85 0.99 -1.27 115.31 122.48 1f54 h LEU 32 Ca -0.27 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.56 1f54 h LEU 32 Cb 1.99 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.78 1f54 h LEU 32 CO 0.11 0.57 0.37 0.00 -0.34 0.00 0.00 178.44 179.16 1f54 h ALA 33 N 1.48 0.98 0.31 1.25 0.00 -1.65 0.01 119.26 121.63 1f54 h ALA 33 Ca 0.45 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 1f54 h ALA 33 Cb 0.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1f54 h ALA 33 CO -0.21 0.00 -0.15 1.15 0.00 0.00 0.00 179.25 180.04 1f54 h THR 34 N 0.65 0.00 -1.40 0.00 2.02 -1.41 -2.60 112.91 110.17 1f54 h THR 34 Ca 0.34 -0.05 0.42 0.00 0.77 0.00 0.00 66.41 67.89 1f54 h THR 34 Cb 0.31 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.63 1f54 h THR 34 CO -0.24 0.00 0.96 -0.37 0.37 0.00 0.00 175.52 176.24 1f54 h VAL 35 N -0.47 0.22 0.85 3.16 -1.51 -1.34 0.13 116.25 117.28 1f54 h VAL 35 Ca -0.04 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.36 1f54 h VAL 35 Cb 0.32 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.60 1f54 h VAL 35 CO 0.07 0.02 -0.46 -0.03 -1.23 0.00 0.00 177.57 175.94 1f54 h MET 36 N 0.09 -1.16 0.00 5.19 4.05 -0.63 -2.36 114.93 120.12 1f54 h MET 36 Ca 0.76 0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 60.25 1f54 h MET 36 Cb 2.63 0.26 -0.00 0.00 -0.80 0.00 0.00 31.60 33.70 1f54 h MET 36 CO -0.21 -0.77 -0.04 0.00 0.23 0.00 0.00 176.91 176.12 1f54 h ARG 37 N -1.20 0.00 -0.22 0.39 2.47 -0.70 -2.96 114.38 112.15 1f54 h ARG 37 Ca -0.12 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.52 1f54 h ARG 37 Cb 0.94 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.25 1f54 h ARG 37 CO 0.16 0.04 -0.22 0.77 0.56 0.00 0.00 179.97 181.27 1f54 h SER 38 N 0.00 0.40 0.14 7.04 0.02 -0.53 -2.48 113.55 118.14 1f54 h SER 38 Ca -0.00 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1f54 h SER 38 Cb 0.58 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1f54 h SER 38 CO 0.01 0.63 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.16 1f54 h LEU 39 N 0.36 0.00 0.00 5.07 3.38 -1.25 -3.45 115.31 119.42 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 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1f54 h LEU 39 CO 0.04 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.28 1f54 n GLY 40 N -1.13 0.94 2.23 0.83 0.00 -0.94 -5.11 105.19 102.02 1f54 n GLY 40 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.95 0.99 -0.00 -1.20 -5.07 117.00 108.76 1f54 n LEU 41 Ca 0.00 -2.12 -0.01 0.00 -0.00 0.00 0.00 56.01 53.89 1f54 n LEU 41 Cb 0.00 0.84 0.00 0.00 -0.00 0.00 0.00 43.42 44.26 1f54 n LEU 41 CO 0.00 -0.34 0.21 -0.44 -0.00 0.00 0.00 177.39 176.82 1f54 s SER 42 N -2.65 -1.17 0.00 1.45 0.01 -1.26 -4.36 113.70 105.72 1f54 s SER 42 Ca 0.18 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1f54 s SER 42 Cb 0.01 1.51 0.00 0.00 0.21 0.00 0.00 66.02 67.74 1f54 s SER 42 CO 0.13 -0.10 0.00 -0.81 0.41 0.00 0.00 173.24 172.87 1f54 n PRO 43 N 3.71 1.09 -4.27 12.44 -0.04 -1.26 -5.09 135.00 141.58 1f54 n PRO 43 Ca 0.12 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.43 1f54 n PRO 43 Cb 0.59 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.95 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 -1.41 1.68 0.09 3.54 0.01 -1.26 -5.01 113.70 111.34 1f54 s SER 44 Ca 0.00 -1.10 -0.20 0.00 1.31 0.00 0.00 55.95 55.97 1f54 s SER 44 Cb 0.00 0.02 -0.06 0.00 0.21 0.00 0.00 66.02 66.19 1f54 s SER 44 CO 0.00 -0.43 1.33 -0.08 0.41 0.00 0.00 173.24 174.48 1f54 h GLU 45 N 2.68 -0.12 -0.87 12.44 4.81 -1.99 0.18 114.58 131.71 1f54 h GLU 45 Ca -0.37 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.07 1f54 h GLU 45 Cb 1.20 0.03 -0.16 0.00 0.63 0.00 0.00 28.75 30.45 1f54 h GLU 45 CO 0.64 -0.08 -0.08 0.00 -0.73 0.00 0.00 179.01 178.75 1f54 h ALA 46 N -0.31 0.80 -0.95 2.92 0.00 -2.00 0.84 119.26 120.55 1f54 h ALA 46 Ca 0.07 0.31 0.09 0.00 0.00 0.00 0.00 54.91 55.38 1f54 h ALA 46 Cb 0.31 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1f54 h ALA 46 CO -0.47 -0.45 0.61 1.49 0.00 0.00 0.00 179.25 180.44 1f54 h GLU 47 N 0.04 0.97 -0.21 0.00 4.57 -1.10 -2.02 114.58 116.83 1f54 h GLU 47 Ca 0.47 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.56 1f54 h GLU 47 Cb 0.82 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1f54 h GLU 47 CO -0.83 0.64 0.02 0.28 -1.18 0.00 0.00 179.01 177.94 1f54 h VAL 48 N 1.00 1.24 -0.45 0.32 2.07 0.19 -1.38 116.25 119.25 1f54 h VAL 48 Ca 0.44 -0.80 0.09 0.00 0.82 0.00 0.00 66.70 67.25 1f54 h VAL 48 Cb 0.35 1.36 -0.09 0.00 -1.52 0.00 0.00 31.29 31.40 1f54 h VAL 48 CO -0.20 0.25 -0.16 -1.13 0.02 0.00 0.00 177.57 176.35 1f54 h ASN 49 N 0.13 -0.58 -0.52 0.57 -1.24 -0.56 -0.54 115.58 112.85 1f54 h ASN 49 Ca 0.06 0.15 -0.09 0.00 0.71 0.00 0.00 56.30 57.13 1f54 h ASN 49 Cb 0.35 0.34 -0.02 0.00 0.73 0.00 0.00 38.32 39.72 1f54 h ASN 49 CO 0.01 -0.20 -0.03 -0.78 -1.29 0.00 0.00 177.43 175.14 1f54 h ASP 50 N -0.07 0.96 -0.17 1.15 3.58 -1.41 -1.41 116.42 119.05 1f54 h ASP 50 Ca 0.22 -0.27 0.05 0.00 0.42 0.00 0.00 57.03 57.44 1f54 h ASP 50 Cb 0.40 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 41.13 1f54 h ASP 50 CO -0.50 1.03 -0.21 -0.07 -2.88 0.00 0.00 179.24 176.61 1f54 h LEU 51 N 0.89 -0.66 0.00 2.28 -0.00 0.04 -1.67 115.31 116.18 1f54 h LEU 51 Ca 0.16 0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 58.15 1f54 h LEU 51 Cb 0.56 0.31 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 1f54 h LEU 51 CO 0.03 -0.26 -0.00 0.24 -0.00 0.00 0.00 178.44 178.45 1f54 h MET 52 N -0.25 -0.00 -0.44 1.13 2.86 -1.24 -2.80 114.93 114.18 1f54 h MET 52 Ca 0.11 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.88 1f54 h MET 52 Cb 0.42 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1f54 h MET 52 CO -0.31 0.43 0.73 -0.91 1.06 0.00 0.00 176.91 177.91 1f54 h ASN 53 N -0.44 0.00 -0.12 1.22 2.35 -0.99 2.55 115.58 120.15 1f54 h ASN 53 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1f54 h ASN 53 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1f54 h ASN 53 CO 0.00 0.00 0.00 1.21 -1.65 0.00 0.00 177.43 176.99 1f54 n GLU 54 N -3.21 1.61 0.00 0.81 4.07 -0.65 -4.53 120.64 118.74 1f54 n GLU 54 Ca 0.09 -0.91 0.00 0.00 -0.06 0.00 0.00 57.16 56.28 1f54 n GLU 54 Cb 0.89 -1.40 0.00 0.00 -0.06 0.00 0.00 31.44 30.88 1f54 n GLU 54 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 1f54 n ILE 55 N 0.13 0.00 -1.57 6.31 3.06 0.69 -5.10 119.36 122.88 1f54 n ILE 55 Ca 0.17 0.00 -0.53 0.00 -2.50 0.00 0.00 62.75 59.89 1f54 n ILE 55 Cb 0.30 -0.09 -0.06 0.00 0.54 0.00 0.00 39.64 40.33 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 -1.93 1.30 -0.10 9.51 -0.08 0.70 -4.89 116.55 121.05 1f54 n ASP 56 Ca 0.00 1.13 -0.19 0.00 -1.51 0.00 0.00 54.79 54.22 1f54 n ASP 56 Cb 0.00 -1.15 -0.09 0.00 2.34 0.00 0.00 41.12 42.22 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 2.16 1.51 0.00 5.18 0.31 -1.26 -4.79 118.33 121.44 1f54 n VAL 57 Ca 0.18 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1f54 n VAL 57 Cb 0.18 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.01 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 -4.44 0.84 0.03 4.52 8.00 -1.26 -5.08 116.55 119.16 1f54 n ASP 58 Ca -0.30 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.20 1f54 n ASP 58 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f54 n GLY 59 N 2.10 -1.89 3.13 0.44 0.00 -1.26 -5.04 105.19 102.67 1f54 n GLY 59 Ca 0.00 0.56 -0.37 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.34 4.41 -4.95 1.61 3.02 -1.26 -4.82 115.26 110.92 1f54 n ASN 60 Ca 0.00 -3.13 -0.23 0.00 -0.03 0.00 0.00 54.58 51.20 1f54 n ASN 60 Cb 0.00 -1.10 0.01 0.00 -0.61 0.00 0.00 39.78 38.09 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 -1.40 3.20 -0.51 3.10 -3.43 -1.26 -5.00 115.29 109.99 1f54 s HIS 61 Ca 0.28 0.21 -0.17 0.00 -0.80 0.00 0.00 55.06 54.58 1f54 s HIS 61 Cb -0.07 -2.33 0.08 0.00 -1.43 0.00 0.00 32.58 28.83 1f54 s HIS 61 CO -0.12 -0.38 0.54 -0.65 -2.00 0.00 0.00 174.74 172.13 1f54 s GLN 62 N -4.56 3.04 0.83 -0.38 1.11 -1.26 -3.80 119.66 114.64 1f54 s GLN 62 Ca 0.49 -1.24 -0.11 0.00 0.01 0.00 0.00 55.36 54.50 1f54 s GLN 62 Cb -0.10 -4.17 0.09 0.00 -1.01 0.00 0.00 33.01 27.82 1f54 s GLN 62 CO 0.38 -1.22 1.09 0.42 0.01 0.00 0.00 175.29 175.97 1f54 s ILE 63 N 2.14 3.01 -0.10 1.08 1.01 0.69 -4.75 121.20 124.28 1f54 s ILE 63 Ca 0.09 0.33 0.02 0.00 0.00 0.00 0.00 60.65 61.09 1f54 s ILE 63 Cb -0.23 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.42 1f54 s ILE 63 CO 0.08 -0.43 -0.16 -1.61 0.00 0.00 0.00 174.94 172.82 1f54 s GLU 64 N -4.93 2.21 0.52 2.79 0.41 -1.26 -1.38 118.70 117.06 1f54 s GLU 64 Ca 0.62 -0.57 0.41 0.00 -0.41 0.00 0.00 54.97 55.02 1f54 s GLU 64 Cb -0.17 -1.83 1.60 0.00 -1.78 0.00 0.00 34.13 31.95 1f54 s GLU 64 CO 0.56 0.00 1.64 0.35 -0.49 0.00 0.00 175.26 177.33 1f54 h PHE 65 N 7.18 0.15 0.00 1.61 3.57 -1.74 0.65 116.94 128.36 1f54 h PHE 65 Ca -0.29 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.22 1f54 h PHE 65 Cb 1.19 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1f54 h PHE 65 CO 0.48 -0.05 0.00 0.45 -2.23 0.00 0.00 178.31 176.96 1f54 n SER 66 N -4.21 0.00 -0.34 0.41 2.88 -1.26 -2.53 113.62 108.58 1f54 n SER 66 Ca 0.38 0.47 0.27 0.00 -1.33 0.00 0.00 58.87 58.66 1f54 n SER 66 Cb 1.67 -0.13 0.57 0.00 -0.75 0.00 0.00 64.21 65.57 1f54 n SER 66 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1f54 h GLU 67 N 0.00 0.27 0.21 -1.46 4.11 -1.84 0.27 114.58 116.14 1f54 h GLU 67 Ca 0.00 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.42 1f54 h GLU 67 Cb 0.00 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1f54 h GLU 67 CO 0.00 0.18 -0.52 0.35 0.07 0.00 0.00 179.01 179.09 1f54 h PHE 68 N 0.28 -1.49 0.04 2.06 3.57 -0.91 -0.28 116.94 120.22 1f54 h PHE 68 Ca 0.62 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.93 1f54 h PHE 68 Cb 1.80 0.62 0.02 0.00 2.79 0.00 0.00 35.95 41.18 1f54 h PHE 68 CO -0.00 -0.61 -0.90 -0.07 -2.23 0.00 0.00 178.31 174.50 1f54 h LEU 69 N -0.80 0.72 -1.88 0.59 4.07 -0.96 -0.43 115.31 116.62 1f54 h LEU 69 Ca -0.02 -0.79 0.13 0.00 0.08 0.00 0.00 57.88 57.28 1f54 h LEU 69 Cb 0.78 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.28 1f54 h LEU 69 CO -0.23 1.42 0.51 0.00 -1.08 0.00 0.00 178.44 179.06 1f54 h ALA 70 N 0.31 2.13 0.00 1.53 0.00 -0.40 -1.93 119.26 120.90 1f54 h ALA 70 Ca -0.12 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.44 1f54 h ALA 70 Cb 1.60 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.36 1f54 h ALA 70 CO 0.18 -0.74 -2.26 1.28 0.00 0.00 0.00 179.25 177.71 1f54 n LEU 71 N -3.59 2.81 0.31 0.00 4.32 -0.12 -4.33 117.00 116.40 1f54 n LEU 71 Ca 0.08 -0.11 0.18 0.00 -0.02 0.00 0.00 56.01 56.14 1f54 n LEU 71 Cb 0.69 -0.71 0.94 0.00 -1.62 0.00 0.00 43.42 42.72 1f54 n LEU 71 CO 0.26 0.85 1.15 0.24 -1.22 0.00 0.00 177.39 178.67 1f54 h MET 72 N 0.00 0.00 -0.09 3.23 2.86 -0.34 -1.40 114.93 119.19 1f54 h MET 72 Ca -0.49 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.17 1f54 h MET 72 Cb 1.79 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.44 1f54 h MET 72 CO -0.07 0.00 0.48 0.77 1.06 0.00 0.00 176.91 179.15 1f54 h SER 73 N 0.00 0.00 -0.86 1.22 0.02 -1.58 -1.23 113.55 111.12 1f54 h SER 73 Ca 0.02 0.00 0.25 0.00 -0.84 0.00 0.00 61.79 61.22 1f54 h SER 73 Cb 0.47 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 1f54 h SER 73 CO -0.00 0.00 0.90 -0.09 -1.14 0.00 0.00 176.83 176.50 1f54 h ARG 74 N 0.00 0.00 0.00 3.45 9.65 -1.57 1.08 114.38 126.99 1f54 h ARG 74 Ca 0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1f54 h ARG 74 Cb 1.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 1f54 h ARG 74 CO -0.00 0.00 0.00 0.94 2.80 0.00 0.00 179.97 183.71 1f54 n GLN 75 N -3.54 4.45 -2.67 0.20 0.00 -0.47 -4.76 117.38 110.59 1f54 n GLN 75 Ca 0.18 -0.15 -0.01 0.00 -0.00 0.00 0.00 57.00 57.02 1f54 n GLN 75 Cb 1.18 -0.65 0.08 0.00 0.00 0.00 0.00 30.24 30.85 1f54 n GLN 75 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1f54 n LEU 76 N -0.68 0.12 0.00 1.69 -0.00 0.83 -5.08 117.00 113.89 1f54 n LEU 76 Ca 0.00 -3.05 0.01 0.00 -0.00 0.00 0.00 56.01 52.98 1f54 n LEU 76 Cb 0.00 0.28 0.09 0.00 -0.00 0.00 0.00 43.42 43.79 1f54 n LEU 76 CO 0.00 1.33 0.33 1.17 -0.00 0.00 0.00 177.39 180.22