#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f55 n SER 2 N 0.00 0.00 -3.72 4.04 7.64 -1.26 -5.01 113.62 115.31 1f55 n SER 2 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 1f55 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1f55 n SER 2 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1f55 n ASN 3 N -0.11 -5.16 0.01 6.43 4.13 -1.26 -4.87 115.26 114.43 1f55 n ASN 3 Ca 0.00 -0.89 0.11 0.00 1.68 0.00 0.00 54.58 55.48 1f55 n ASN 3 Cb 0.00 -2.15 -0.12 0.00 -1.54 0.00 0.00 39.78 35.96 1f55 n ASN 3 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1f55 n LEU 4 N -2.75 0.29 0.00 3.41 4.32 -1.26 -4.98 117.00 116.03 1f55 n LEU 4 Ca -0.26 -0.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.70 1f55 n LEU 4 Cb 0.66 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.44 1f55 n LEU 4 CO 0.63 0.01 0.00 0.35 -1.22 0.00 0.00 177.39 177.17 1f55 n THR 5 N -2.18 0.00 -0.65 -5.08 -2.24 -1.26 0.20 114.28 103.08 1f55 n THR 5 Ca -0.02 0.00 0.49 0.00 -2.27 0.00 0.00 64.05 62.25 1f55 n THR 5 Cb 0.52 0.00 0.75 0.00 -2.10 0.00 0.00 70.33 69.50 1f55 n THR 5 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1f55 n GLU 6 N 11.73 0.00 -0.01 -0.78 0.28 -1.26 0.26 120.64 130.85 1f55 n GLU 6 Ca 0.00 0.99 -0.16 0.00 -0.16 0.00 0.00 57.16 57.83 1f55 n GLU 6 Cb 0.00 -2.29 -0.10 0.00 1.43 0.00 0.00 31.44 30.47 1f55 n GLU 6 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1f55 h GLU 7 N 0.00 0.37 -0.07 3.44 4.81 0.19 -1.68 114.58 121.64 1f55 h GLU 7 Ca 0.86 -0.36 -0.05 0.00 -0.13 0.00 0.00 59.36 59.68 1f55 h GLU 7 Cb 3.46 0.09 0.00 0.00 0.63 0.00 0.00 28.75 32.93 1f55 h GLU 7 CO -0.01 1.02 -0.16 -0.56 -0.73 0.00 0.00 179.01 178.58 1f55 h GLN 8 N -0.15 0.23 0.25 1.92 3.07 0.39 -2.69 115.11 118.12 1f55 h GLN 8 Ca -0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 58.65 58.53 1f55 h GLN 8 Cb 1.16 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.72 1f55 h GLN 8 CO 0.09 0.75 -0.31 0.82 0.09 0.00 0.00 178.83 180.28 1f55 h ILE 9 N -0.26 0.00 -0.85 1.86 2.04 -0.13 0.51 117.51 120.68 1f55 h ILE 9 Ca 0.00 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.05 1f55 h ILE 9 Cb 0.75 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.67 1f55 h ILE 9 CO 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.09 1f55 h ALA 10 N -1.18 0.77 -0.89 1.87 0.00 -1.40 1.06 119.26 119.49 1f55 h ALA 10 Ca -0.03 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1f55 h ALA 10 Cb 0.51 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1f55 h ALA 10 CO -0.07 -0.44 0.48 1.49 0.00 0.00 0.00 179.25 180.70 1f55 h GLU 11 N 0.04 1.25 0.06 0.00 4.81 -1.04 -2.79 114.58 116.91 1f55 h GLU 11 Ca 0.45 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1f55 h GLU 11 Cb 0.79 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1f55 h GLU 11 CO -0.82 0.93 -0.03 0.74 -0.73 0.00 0.00 179.01 179.09 1f55 h PHE 12 N 1.26 -0.07 -0.79 0.92 0.04 0.60 -2.46 116.94 116.43 1f55 h PHE 12 Ca 0.31 -0.00 0.12 0.00 2.80 0.00 0.00 57.97 61.20 1f55 h PHE 12 Cb 0.05 0.02 -0.13 0.00 2.20 0.00 0.00 35.95 38.09 1f55 h PHE 12 CO 0.01 0.17 -0.42 0.87 -0.60 0.00 0.00 178.31 178.35 1f55 h LYS 13 N -0.32 -0.10 -0.68 1.51 1.57 -0.02 1.39 116.57 119.92 1f55 h LYS 13 Ca -0.01 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1f55 h LYS 13 Cb 0.28 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.54 1f55 h LYS 13 CO 0.01 -0.06 0.33 1.49 -0.57 0.00 0.00 179.45 180.65 1f55 h GLU 14 N -0.10 0.55 -0.02 3.15 4.57 -1.42 -1.91 114.58 119.40 1f55 h GLU 14 Ca 0.25 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1f55 h GLU 14 Cb 0.56 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1f55 h GLU 14 CO -0.83 0.37 0.01 0.00 -1.18 0.00 0.00 179.01 177.37 1f55 h ALA 15 N 1.41 0.03 -0.33 2.92 0.00 0.10 -2.78 119.26 120.62 1f55 h ALA 15 Ca 0.33 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1f55 h ALA 15 Cb 0.35 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1f55 h ALA 15 CO -0.26 -0.36 -0.36 0.35 0.00 0.00 0.00 179.25 178.62 1f55 h PHE 16 N -0.17 -1.12 -0.88 0.00 3.57 0.22 0.28 116.94 118.84 1f55 h PHE 16 Ca 0.01 0.06 0.23 0.00 3.53 0.00 0.00 57.97 61.80 1f55 h PHE 16 Cb 0.22 0.53 -0.15 0.00 2.79 0.00 0.00 35.95 39.34 1f55 h PHE 16 CO -0.00 -0.30 0.10 0.00 -2.23 0.00 0.00 178.31 175.88 1f55 h ALA 17 N -0.41 1.10 -1.00 2.41 0.00 -1.40 1.18 119.26 121.13 1f55 h ALA 17 Ca 0.06 0.27 0.18 0.00 0.00 0.00 0.00 54.91 55.41 1f55 h ALA 17 Cb 0.36 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 1f55 h ALA 17 CO -0.42 -0.49 0.62 -0.07 0.00 0.00 0.00 179.25 178.88 1f55 h LEU 18 N 0.11 0.79 -0.64 0.00 -0.00 -0.19 0.16 115.31 115.54 1f55 h LEU 18 Ca 0.53 0.09 -0.11 0.00 -0.00 0.00 0.00 57.88 58.38 1f55 h LEU 18 Cb 1.04 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.63 1f55 h LEU 18 CO -0.75 0.30 -0.14 -0.26 -0.00 0.00 0.00 178.44 177.60 1f55 h PHE 19 N 0.78 1.03 -3.91 1.13 -1.00 0.23 -3.44 116.94 111.77 1f55 h PHE 19 Ca 0.56 -0.22 -0.50 0.00 2.81 0.00 0.00 57.97 60.63 1f55 h PHE 19 Cb 0.85 -0.25 0.04 0.00 3.61 0.00 0.00 35.95 40.20 1f55 h PHE 19 CO -0.00 0.99 0.24 0.34 -1.61 0.00 0.00 178.31 178.27 1f55 s ASP 20 N -6.69 6.30 0.00 2.17 2.15 0.56 -3.29 116.67 117.87 1f55 s ASP 20 Ca -0.11 1.17 0.05 0.00 0.43 0.00 0.00 52.55 54.09 1f55 s ASP 20 Cb 0.13 -2.35 0.06 0.00 -0.30 0.00 0.00 42.92 40.46 1f55 s ASP 20 CO 0.85 -0.67 0.73 0.29 -0.17 0.00 0.00 175.17 176.21 1f55 n LYS 21 N -2.30 0.18 0.00 4.34 4.76 -1.26 -4.59 118.16 119.29 1f55 n LYS 21 Ca 0.03 -0.95 0.00 0.00 -2.87 0.00 0.00 58.31 54.52 1f55 n LYS 21 Cb 0.55 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.63 1f55 n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1f55 n ASP 22 N 0.26 1.10 -1.79 4.39 8.00 -1.26 -5.00 116.55 122.25 1f55 n ASP 22 Ca 0.03 -0.32 -0.18 0.00 0.71 0.00 0.00 54.79 55.04 1f55 n ASP 22 Cb 0.16 0.86 -0.03 0.00 -0.02 0.00 0.00 41.12 42.08 1f55 n ASP 22 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1f55 n ASN 23 N -0.97 -5.18 -0.61 -2.24 3.02 -1.26 -4.84 115.26 103.19 1f55 n ASN 23 Ca 0.00 0.15 0.02 0.00 -0.03 0.00 0.00 54.58 54.72 1f55 n ASN 23 Cb 0.00 -4.25 0.08 0.00 -0.61 0.00 0.00 39.78 35.00 1f55 n ASN 23 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1f55 n ASN 24 N -1.21 1.56 -0.14 6.41 5.03 -1.26 -4.80 115.26 120.84 1f55 n ASN 24 Ca -0.20 -2.12 -0.02 0.00 0.87 0.00 0.00 54.58 53.11 1f55 n ASN 24 Cb 0.63 -0.38 -0.01 0.00 -1.02 0.00 0.00 39.78 39.00 1f55 n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f55 n GLY 25 N 0.35 0.46 3.10 7.41 0.00 -1.26 -4.97 105.19 110.27 1f55 n GLY 25 Ca 0.05 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1f55 n GLY 25 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1f55 s SER 26 N -2.19 -0.10 -0.13 1.61 0.15 -1.26 -3.14 113.70 108.64 1f55 s SER 26 Ca 0.00 0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.77 1f55 s SER 26 Cb 0.00 0.31 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 1f55 s SER 26 CO 0.00 -0.23 -0.17 -0.63 1.20 0.00 0.00 173.24 173.42 1f55 s ILE 27 N -0.65 1.69 0.00 6.45 1.01 0.17 -4.79 121.20 125.09 1f55 s ILE 27 Ca -0.07 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1f55 s ILE 27 Cb -0.04 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1f55 s ILE 27 CO 0.01 0.48 0.00 -0.24 0.00 0.00 0.00 174.94 175.19 1f55 n SER 28 N 4.34 -0.06 0.17 3.58 2.88 -1.26 -1.13 113.62 122.14 1f55 n SER 28 Ca -0.19 -0.79 -0.07 0.00 -1.33 0.00 0.00 58.87 56.50 1f55 n SER 28 Cb 0.51 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 1f55 n SER 28 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1f55 h SER 29 N -0.06 -0.37 -0.83 -3.46 4.64 -1.88 -2.78 113.55 108.81 1f55 h SER 29 Ca 0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1f55 h SER 29 Cb 0.00 0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.15 1f55 h SER 29 CO 0.00 -0.26 0.38 0.77 -0.87 0.00 0.00 176.83 176.85 1f55 h SER 30 N -0.45 1.10 -0.70 4.97 4.64 -1.93 -2.74 113.55 118.44 1f55 h SER 30 Ca -0.04 -0.14 0.09 0.00 -0.47 0.00 0.00 61.79 61.22 1f55 h SER 30 Cb 0.34 -0.28 -0.11 0.00 -0.31 0.00 0.00 62.40 62.03 1f55 h SER 30 CO 0.07 0.94 -0.50 -0.33 -0.87 0.00 0.00 176.83 176.14 1f55 h GLU 31 N 1.19 -0.17 -0.13 4.77 5.08 -1.86 0.83 114.58 124.28 1f55 h GLU 31 Ca 0.28 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 1f55 h GLU 31 Cb 0.14 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1f55 h GLU 31 CO -0.03 -0.12 0.05 1.25 -1.00 0.00 0.00 179.01 179.16 1f55 h LEU 32 N -0.18 0.18 -2.52 1.33 6.46 -1.39 -2.21 115.31 116.99 1f55 h LEU 32 Ca 0.17 -0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1f55 h LEU 32 Cb 0.54 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1f55 h LEU 32 CO -0.77 0.31 0.07 0.00 -0.62 0.00 0.00 178.44 177.43 1f55 h ALA 33 N 0.88 1.44 0.00 1.25 0.00 -0.86 -1.35 119.26 120.63 1f55 h ALA 33 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1f55 h ALA 33 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1f55 h ALA 33 CO -0.00 -0.09 0.27 1.15 0.00 0.00 0.00 179.25 180.58 1f55 h THR 34 N 0.00 0.00 0.36 0.00 2.02 0.13 0.26 112.91 115.68 1f55 h THR 34 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1f55 h THR 34 Cb 0.16 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1f55 h THR 34 CO -0.00 0.00 -0.24 0.58 0.37 0.00 0.00 175.52 176.23 1f55 h VAL 35 N 0.00 0.51 0.00 3.16 2.07 -1.40 -3.27 116.25 117.32 1f55 h VAL 35 Ca 0.00 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 1f55 h VAL 35 Cb 0.54 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1f55 h VAL 35 CO 0.00 0.00 -1.69 0.23 0.02 0.00 0.00 177.57 176.13 1f55 n MET 36 N -5.37 0.30 -0.08 1.57 2.81 -0.81 -4.23 117.12 111.31 1f55 n MET 36 Ca -0.10 0.07 0.25 0.00 -1.81 0.00 0.00 57.70 56.11 1f55 n MET 36 Cb 0.27 -1.22 0.55 0.00 -0.71 0.00 0.00 33.22 32.11 1f55 n MET 36 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1f55 h ARG 37 N -0.03 0.00 0.00 0.03 1.12 -0.29 1.30 114.38 116.51 1f55 h ARG 37 Ca -0.27 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.54 1f55 h ARG 37 Cb 1.41 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.36 1f55 h ARG 37 CO -0.05 0.00 -0.69 -1.13 -3.11 0.00 0.00 179.97 174.99 1f55 n SER 38 N -3.39 1.82 -2.54 -3.80 3.41 -1.23 -4.59 113.62 103.30 1f55 n SER 38 Ca 0.17 0.59 -0.27 0.00 -0.26 0.00 0.00 58.87 59.09 1f55 n SER 38 Cb 1.17 -0.90 -0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1f55 n SER 38 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1f55 n LEU 39 N -4.57 4.74 0.00 1.04 0.00 -0.57 -4.93 117.00 112.70 1f55 n LEU 39 Ca -0.13 -5.27 0.00 0.00 0.00 0.00 0.00 56.01 50.61 1f55 n LEU 39 Cb 0.36 -0.48 0.00 0.00 0.00 0.00 0.00 43.42 43.30 1f55 n LEU 39 CO 0.12 2.24 0.00 0.61 0.00 0.00 0.00 177.39 180.37 1f55 n GLY 40 N -0.45 0.36 1.29 -3.96 0.00 0.44 -4.85 105.19 98.02 1f55 n GLY 40 Ca 0.38 0.63 0.15 0.00 0.00 0.00 0.00 46.02 47.18 1f55 n GLY 40 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1f55 n LEU 41 N 0.00 -0.85 -3.55 0.99 7.94 -1.25 -2.67 117.00 117.61 1f55 n LEU 41 Ca 0.00 1.98 -0.28 0.00 -1.11 0.00 0.00 56.01 56.59 1f55 n LEU 41 Cb 0.00 -2.99 -0.12 0.00 0.53 0.00 0.00 43.42 40.84 1f55 n LEU 41 CO 0.00 -1.86 -0.27 -0.44 -1.11 0.00 0.00 177.39 173.71 1f55 s SER 42 N -6.84 2.84 0.05 1.96 0.01 -1.26 -3.05 113.70 107.41 1f55 s SER 42 Ca 0.00 -2.76 -0.31 0.00 1.31 0.00 0.00 55.95 54.19 1f55 s SER 42 Cb 0.00 -0.71 -0.05 0.00 0.21 0.00 0.00 66.02 65.47 1f55 s SER 42 CO 0.00 -0.23 1.20 -2.16 0.41 0.00 0.00 173.24 172.46 1f55 s PRO 43 N 0.29 4.43 0.77 12.44 0.04 -1.26 -5.03 135.00 146.68 1f55 s PRO 43 Ca 0.23 1.76 -0.11 0.00 0.04 0.00 0.00 61.00 62.92 1f55 s PRO 43 Cb -0.13 -3.36 0.05 0.00 0.04 0.00 0.00 34.50 31.10 1f55 s PRO 43 CO -0.08 -0.27 1.09 -1.12 0.04 0.00 0.00 177.00 176.67 1f55 s SER 44 N 1.09 4.81 0.23 6.66 0.01 -1.26 -4.36 113.70 120.89 1f55 s SER 44 Ca 0.58 1.28 0.01 0.00 1.31 0.00 0.00 55.95 59.13 1f55 s SER 44 Cb -0.29 -2.04 0.56 0.00 0.21 0.00 0.00 66.02 64.46 1f55 s SER 44 CO 0.29 -1.77 1.18 -1.84 0.41 0.00 0.00 173.24 171.51 1f55 n GLU 45 N -3.30 -0.06 -0.20 12.44 0.28 -1.26 0.63 120.64 129.18 1f55 n GLU 45 Ca 0.07 1.13 -0.06 0.00 -0.16 0.00 0.00 57.16 58.14 1f55 n GLU 45 Cb 0.56 -1.79 -0.01 0.00 1.43 0.00 0.00 31.44 31.63 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1f55 h ALA 46 N 1.50 -0.16 0.07 -1.84 0.00 -1.98 0.98 119.26 117.84 1f55 h ALA 46 Ca 0.45 0.14 -0.26 0.00 0.00 0.00 0.00 54.91 55.24 1f55 h ALA 46 Cb 0.92 0.85 0.01 0.00 0.00 0.00 0.00 17.79 19.57 1f55 h ALA 46 CO -0.71 -0.74 -1.11 0.93 0.00 0.00 0.00 179.25 177.62 1f55 h GLU 47 N -0.19 0.42 0.25 0.00 4.39 -0.11 -2.25 114.58 117.09 1f55 h GLU 47 Ca 0.21 -0.55 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 1f55 h GLU 47 Cb 0.56 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1f55 h GLU 47 CO -0.68 1.21 -0.12 0.28 -1.16 0.00 0.00 179.01 178.54 1f55 h VAL 48 N 0.20 0.00 -1.00 3.13 2.07 0.66 -0.97 116.25 120.34 1f55 h VAL 48 Ca -0.12 -0.03 0.16 0.00 0.82 0.00 0.00 66.70 67.52 1f55 h VAL 48 Cb 1.78 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.46 1f55 h VAL 48 CO 0.20 0.00 0.62 -1.13 0.02 0.00 0.00 177.57 177.28 1f55 h ASN 49 N -0.37 0.83 -0.77 0.57 -1.24 0.79 0.11 115.58 115.50 1f55 h ASN 49 Ca -0.03 0.07 0.05 0.00 0.71 0.00 0.00 56.30 57.10 1f55 h ASN 49 Cb 0.26 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 39.17 1f55 h ASN 49 CO 0.06 0.37 0.47 0.44 -1.29 0.00 0.00 177.43 177.47 1f55 h ASP 50 N 0.85 0.75 0.48 1.15 3.32 -1.30 -2.16 116.42 119.52 1f55 h ASP 50 Ca 0.54 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.58 1f55 h ASP 50 Cb 0.73 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1f55 h ASP 50 CO -0.32 0.50 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.37 1f55 h LEU 51 N 0.89 -0.61 -0.36 1.55 -0.00 0.44 -0.75 115.31 116.47 1f55 h LEU 51 Ca 0.32 0.03 0.07 0.00 -0.00 0.00 0.00 57.88 58.30 1f55 h LEU 51 Cb 0.10 0.17 -0.09 0.00 -0.00 0.00 0.00 40.66 40.84 1f55 h LEU 51 CO -0.15 -0.42 -0.35 -0.03 -0.00 0.00 0.00 178.44 177.50 1f55 h MET 52 N -0.68 -0.28 0.03 1.13 4.05 -1.17 -1.04 114.93 116.97 1f55 h MET 52 Ca -0.06 0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.40 1f55 h MET 52 Cb 0.54 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.36 1f55 h MET 52 CO 0.09 -0.19 -0.26 -0.97 0.23 0.00 0.00 176.91 175.82 1f55 h ASN 53 N -0.29 -0.75 -0.56 1.39 -1.24 -1.24 0.45 115.58 113.33 1f55 h ASN 53 Ca 0.15 0.10 0.11 0.00 0.71 0.00 0.00 56.30 57.37 1f55 h ASN 53 Cb 0.55 0.30 -0.11 0.00 0.73 0.00 0.00 38.32 39.79 1f55 h ASN 53 CO -0.52 -0.33 -0.25 -0.08 -1.29 0.00 0.00 177.43 174.96 1f55 h GLU 54 N -0.41 -0.11 -0.01 6.67 4.81 -0.27 0.83 114.58 126.09 1f55 h GLU 54 Ca 0.05 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1f55 h GLU 54 Cb 0.48 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1f55 h GLU 54 CO -0.21 -0.07 0.00 1.51 -0.73 0.00 0.00 179.01 179.51 1f55 n ILE 55 N -5.43 0.01 -2.17 2.32 3.06 -0.48 -4.84 119.36 111.83 1f55 n ILE 55 Ca 0.05 -0.03 -0.26 0.00 -2.50 0.00 0.00 62.75 60.01 1f55 n ILE 55 Cb 0.34 -0.34 0.16 0.00 0.54 0.00 0.00 39.64 40.34 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1f55 n ASP 56 N -0.81 0.59 0.00 9.51 -0.08 0.29 -4.03 116.55 122.01 1f55 n ASP 56 Ca 0.21 -1.72 0.00 0.00 -1.51 0.00 0.00 54.79 51.77 1f55 n ASP 56 Cb 0.13 -0.83 0.00 0.00 2.34 0.00 0.00 41.12 42.76 1f55 n ASP 56 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1f55 n VAL 57 N -3.36 0.00 0.40 5.18 0.24 -1.26 -4.86 118.33 114.66 1f55 n VAL 57 Ca 0.16 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.57 1f55 n VAL 57 Cb 0.56 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.86 1f55 n VAL 57 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1f55 n ASP 58 N -1.18 0.50 -1.93 -1.34 5.75 -1.26 -5.02 116.55 112.06 1f55 n ASP 58 Ca 0.00 -0.22 -0.01 0.00 -0.01 0.00 0.00 54.79 54.55 1f55 n ASP 58 Cb 0.00 1.19 0.00 0.00 -1.03 0.00 0.00 41.12 41.28 1f55 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f55 n GLY 59 N 1.34 -0.68 0.83 6.12 0.00 -1.26 -5.01 105.19 106.52 1f55 n GLY 59 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.16 1f55 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f55 n ASN 60 N -0.94 1.02 0.00 1.61 6.94 -1.26 -4.95 115.26 117.68 1f55 n ASN 60 Ca 0.01 -2.50 0.00 0.00 -0.02 0.00 0.00 54.58 52.07 1f55 n ASN 60 Cb 0.37 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.46 1f55 n ASN 60 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1f55 n HIS 61 N -0.23 0.00 -3.67 -2.53 8.25 -1.26 -4.92 115.22 110.86 1f55 n HIS 61 Ca 0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.41 1f55 n HIS 61 Cb 0.86 -1.05 -0.07 0.00 1.12 0.00 0.00 29.99 30.85 1f55 n HIS 61 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1f55 s GLN 62 N -0.91 0.89 0.16 -0.41 -0.21 -1.26 -3.02 119.66 114.89 1f55 s GLN 62 Ca 0.00 -0.31 0.09 0.00 0.02 0.00 0.00 55.36 55.16 1f55 s GLN 62 Cb 0.00 0.40 -0.04 0.00 1.00 0.00 0.00 33.01 34.37 1f55 s GLN 62 CO 0.00 -0.30 -0.19 0.96 -2.12 0.00 0.00 175.29 173.64 1f55 s ILE 63 N -2.24 1.85 0.34 1.08 -5.25 -0.28 -4.81 121.20 111.89 1f55 s ILE 63 Ca -0.07 -1.86 0.08 0.00 -0.99 0.00 0.00 60.65 57.81 1f55 s ILE 63 Cb -0.01 -1.82 -0.03 0.00 2.95 0.00 0.00 42.46 43.55 1f55 s ILE 63 CO -0.01 -0.25 0.26 -1.61 -1.79 0.00 0.00 174.94 171.54 1f55 s GLU 64 N -2.62 2.64 0.00 0.37 2.02 -1.26 0.45 118.70 120.30 1f55 s GLU 64 Ca 0.14 -1.36 0.00 0.00 0.02 0.00 0.00 54.97 53.78 1f55 s GLU 64 Cb -0.07 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1f55 s GLU 64 CO 0.06 0.09 0.93 0.34 0.02 0.00 0.00 175.26 176.70 1f55 n PHE 65 N -1.33 0.00 -0.31 1.61 7.35 -1.19 -0.42 117.46 123.18 1f55 n PHE 65 Ca -0.02 0.00 0.28 0.00 -0.76 0.00 0.00 57.45 56.95 1f55 n PHE 65 Cb 0.60 -0.43 0.49 0.00 0.35 0.00 0.00 39.48 40.50 1f55 n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1f55 n SER 66 N -2.49 0.21 -0.12 -2.13 2.88 -1.26 0.27 113.62 110.98 1f55 n SER 66 Ca 0.00 1.17 -0.12 0.00 -1.33 0.00 0.00 58.87 58.59 1f55 n SER 66 Cb 0.00 -0.57 -0.03 0.00 -0.75 0.00 0.00 64.21 62.86 1f55 n SER 66 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1f55 h GLU 67 N 0.00 0.77 -0.64 -1.46 5.08 -1.03 -2.41 114.58 114.89 1f55 h GLU 67 Ca 0.67 -0.35 0.09 0.00 -1.00 0.00 0.00 59.36 58.78 1f55 h GLU 67 Cb 1.98 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 31.17 1f55 h GLU 67 CO -0.47 0.97 0.42 0.35 -1.00 0.00 0.00 179.01 179.28 1f55 h PHE 68 N 0.56 0.52 -0.28 4.33 3.57 0.50 -0.16 116.94 125.98 1f55 h PHE 68 Ca 0.08 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.43 1f55 h PHE 68 Cb 0.75 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1f55 h PHE 68 CO 0.06 0.25 -0.47 -0.07 -2.23 0.00 0.00 178.31 175.85 1f55 h LEU 69 N 0.49 0.80 -0.43 0.59 -0.00 -1.03 0.50 115.31 116.23 1f55 h LEU 69 Ca 0.29 -0.40 0.01 0.00 -0.00 0.00 0.00 57.88 57.79 1f55 h LEU 69 Cb 0.50 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.91 1f55 h LEU 69 CO -0.09 1.14 0.28 0.00 -0.00 0.00 0.00 178.44 179.78 1f55 h ALA 70 N 0.88 0.55 0.00 1.53 0.00 -0.56 0.15 119.26 121.82 1f55 h ALA 70 Ca 0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1f55 h ALA 70 Cb 1.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1f55 h ALA 70 CO 0.10 -0.01 -0.87 1.25 0.00 0.00 0.00 179.25 179.72 1f55 h LEU 71 N 0.57 0.00 0.01 0.00 7.12 -1.38 -3.40 115.31 118.23 1f55 h LEU 71 Ca 0.16 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.17 1f55 h LEU 71 Cb -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.08 1f55 h LEU 71 CO -0.05 0.43 -0.00 -0.03 -0.13 0.00 0.00 178.44 178.66 1f55 h MET 72 N 0.00 -0.01 -6.70 1.25 4.05 0.35 -3.41 114.93 110.45 1f55 h MET 72 Ca -0.06 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 58.85 1f55 h MET 72 Cb 1.39 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.19 1f55 h MET 72 CO 0.05 -0.01 0.44 0.45 0.23 0.00 0.00 176.91 178.07 1f55 s SER 73 N -3.31 7.36 -0.04 1.39 0.15 0.51 -4.41 113.70 115.35 1f55 s SER 73 Ca -0.00 2.07 -0.01 0.00 0.70 0.00 0.00 55.95 58.72 1f55 s SER 73 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1f55 s SER 73 CO 0.01 -0.12 0.01 0.54 1.20 0.00 0.00 173.24 174.88 1f55 n ARG 74 N 1.98 -1.05 0.00 5.44 1.74 -1.26 -4.63 116.66 118.88 1f55 n ARG 74 Ca 0.01 1.21 0.00 0.00 -0.77 0.00 0.00 57.85 58.30 1f55 n ARG 74 Cb 0.46 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1f55 n ARG 74 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1f55 n GLN 75 N 1.63 1.52 -3.12 5.56 10.64 -1.26 -4.71 117.38 127.63 1f55 n GLN 75 Ca -0.02 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.04 1f55 n GLN 75 Cb 0.32 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.71 1f55 n GLN 75 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1f55 n LEU 76 N 0.00 -4.88 0.00 2.61 7.94 -1.26 -5.02 117.00 116.39 1f55 n LEU 76 Ca 0.00 0.51 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 1f55 n LEU 76 Cb 0.00 -2.22 0.00 0.00 0.53 0.00 0.00 43.42 41.73 1f55 n LEU 76 CO 0.00 -1.59 0.04 2.29 -1.11 0.00 0.00 177.39 177.02