#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 1.95 -4.78 -3.46 3.41 -1.26 -4.90 113.62 104.57 1f55 n SER 2 Ca 0.00 0.31 -0.39 0.00 -0.26 0.00 0.00 58.87 58.53 1f55 n SER 2 Cb 0.00 -0.86 -0.06 0.00 -0.26 0.00 0.00 64.21 63.03 1f55 n SER 2 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1f55 s ASN 3 N -7.02 7.28 0.00 4.04 0.01 -1.26 -5.02 114.94 112.97 1f55 s ASN 3 Ca -0.30 1.52 0.00 0.00 -0.71 0.00 0.00 52.86 53.36 1f55 s ASN 3 Cb 0.08 -2.46 0.00 0.00 0.41 0.00 0.00 41.25 39.29 1f55 s ASN 3 CO 0.60 0.21 0.00 0.00 -1.51 0.00 0.00 177.10 176.40 1f55 n LEU 4 N 1.75 0.00 0.00 0.60 -0.00 -1.26 -4.60 117.00 113.49 1f55 n LEU 4 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 1f55 n LEU 4 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 1f55 n LEU 4 CO 0.45 0.00 0.00 0.35 -0.00 0.00 0.00 177.39 178.19 1f55 n THR 5 N 0.00 0.00 -0.54 1.47 -2.24 -1.26 -0.62 114.28 111.10 1f55 n THR 5 Ca 0.00 0.00 0.44 0.00 -2.27 0.00 0.00 64.05 62.22 1f55 n THR 5 Cb 0.00 0.00 0.74 0.00 -2.10 0.00 0.00 70.33 68.97 1f55 n THR 5 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1f55 h GLU 6 N 0.00 0.04 -0.11 -0.78 4.11 -1.97 0.88 114.58 116.75 1f55 h GLU 6 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1f55 h GLU 6 Cb 0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1f55 h GLU 6 CO 0.00 0.02 0.01 1.49 0.07 0.00 0.00 179.01 180.60 1f55 h GLU 7 N 0.04 0.18 -0.12 1.06 4.81 -1.20 0.69 114.58 120.05 1f55 h GLU 7 Ca 0.84 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.94 1f55 h GLU 7 Cb 3.04 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 32.40 1f55 h GLU 7 CO -0.20 0.41 -0.22 -0.56 -0.73 0.00 0.00 179.01 177.71 1f55 h GLN 8 N -0.07 0.35 0.24 1.92 3.07 0.10 -2.72 115.11 118.00 1f55 h GLN 8 Ca 0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 58.65 58.54 1f55 h GLN 8 Cb 0.32 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.89 1f55 h GLN 8 CO 0.00 0.82 -0.31 0.82 0.09 0.00 0.00 178.83 180.26 1f55 h ILE 9 N -0.07 0.00 -0.85 1.86 2.04 -0.51 0.41 117.51 120.39 1f55 h ILE 9 Ca 0.01 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.06 1f55 h ILE 9 Cb 0.81 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.73 1f55 h ILE 9 CO 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 178.12 1f55 h ALA 10 N -1.17 0.77 -0.81 1.87 0.00 -0.94 0.80 119.26 119.78 1f55 h ALA 10 Ca -0.03 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1f55 h ALA 10 Cb 0.50 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1f55 h ALA 10 CO -0.08 -0.44 0.45 0.93 0.00 0.00 0.00 179.25 180.11 1f55 h GLU 11 N 0.04 1.13 0.04 0.00 4.39 -1.06 -2.84 114.58 116.29 1f55 h GLU 11 Ca 0.45 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 60.02 1f55 h GLU 11 Cb 0.79 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1f55 h GLU 11 CO -0.81 0.83 -0.02 0.74 -1.16 0.00 0.00 179.01 178.59 1f55 h PHE 12 N 1.13 -0.05 -0.88 4.33 0.04 0.48 -2.70 116.94 119.29 1f55 h PHE 12 Ca 0.29 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.20 1f55 h PHE 12 Cb 0.03 0.02 -0.15 0.00 2.20 0.00 0.00 35.95 38.05 1f55 h PHE 12 CO 0.00 0.23 -0.37 0.87 -0.60 0.00 0.00 178.31 178.44 1f55 h LYS 13 N -0.34 -0.05 -0.55 1.51 1.57 -0.01 1.32 116.57 120.02 1f55 h LYS 13 Ca -0.01 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1f55 h LYS 13 Cb 0.31 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 1f55 h LYS 13 CO 0.01 -0.03 0.22 1.49 -0.57 0.00 0.00 179.45 180.57 1f55 h GLU 14 N -0.05 0.41 -0.14 3.15 4.22 -1.43 -1.87 114.58 118.87 1f55 h GLU 14 Ca 0.32 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.72 1f55 h GLU 14 Cb 0.59 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1f55 h GLU 14 CO -0.90 0.27 0.05 0.00 -2.18 0.00 0.00 179.01 176.25 1f55 h ALA 15 N 1.36 0.18 -0.35 2.92 0.00 0.11 -2.80 119.26 120.68 1f55 h ALA 15 Ca 0.27 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1f55 h ALA 15 Cb 0.28 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1f55 h ALA 15 CO -0.25 -0.22 -0.40 0.35 0.00 0.00 0.00 179.25 178.74 1f55 h PHE 16 N 0.07 -1.22 -0.84 0.00 3.57 0.20 0.23 116.94 118.96 1f55 h PHE 16 Ca 0.05 0.06 0.19 0.00 3.53 0.00 0.00 57.97 61.80 1f55 h PHE 16 Cb 0.18 0.58 -0.15 0.00 2.79 0.00 0.00 35.95 39.35 1f55 h PHE 16 CO -0.01 -0.33 -0.04 0.00 -2.23 0.00 0.00 178.31 175.69 1f55 h ALA 17 N -0.35 0.82 -0.88 2.41 0.00 -1.37 1.02 119.26 120.91 1f55 h ALA 17 Ca 0.06 0.29 0.22 0.00 0.00 0.00 0.00 54.91 55.47 1f55 h ALA 17 Cb 0.40 0.52 -0.12 0.00 0.00 0.00 0.00 17.79 18.58 1f55 h ALA 17 CO -0.45 -0.45 0.36 1.25 0.00 0.00 0.00 179.25 179.96 1f55 h LEU 18 N 0.06 0.27 -0.13 0.00 6.46 -0.30 0.62 115.31 122.29 1f55 h LEU 18 Ca 0.46 0.16 -0.05 0.00 -0.12 0.00 0.00 57.88 58.32 1f55 h LEU 18 Cb 0.82 0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.90 1f55 h LEU 18 CO -0.78 -0.02 -0.12 -0.26 -0.62 0.00 0.00 178.44 176.64 1f55 h PHE 19 N 0.37 0.37 -0.15 1.25 0.04 0.18 -3.33 116.94 115.67 1f55 h PHE 19 Ca 0.55 -0.11 -0.65 0.00 2.80 0.00 0.00 57.97 60.56 1f55 h PHE 19 Cb 1.04 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.10 1f55 h PHE 19 CO -0.16 0.70 2.50 -3.47 -0.60 0.00 0.00 178.31 177.29 1f55 n ASP 20 N -4.60 3.39 0.05 2.17 2.03 0.21 -3.69 116.55 116.11 1f55 n ASP 20 Ca -0.06 -2.77 0.19 0.00 0.52 0.00 0.00 54.79 52.66 1f55 n ASP 20 Cb 0.34 -1.47 0.50 0.00 -0.72 0.00 0.00 41.12 39.78 1f55 n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1f55 h LYS 21 N 7.29 0.00 0.00 -0.67 1.79 -1.68 1.93 116.57 125.23 1f55 h LYS 21 Ca 0.46 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.93 1f55 h LYS 21 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1f55 h LYS 21 CO 1.80 0.00 -0.57 -0.44 -1.08 0.00 0.00 179.45 179.16 1f55 h ASP 22 N 0.00 0.00 -0.79 0.86 3.32 -1.87 -3.47 116.42 114.47 1f55 h ASP 22 Ca 0.25 -0.15 -0.34 0.00 0.02 0.00 0.00 57.03 56.81 1f55 h ASP 22 Cb 1.91 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 41.33 1f55 h ASP 22 CO -0.00 0.07 -0.31 0.59 -1.72 0.00 0.00 179.24 177.87 1f55 n ASN 23 N -2.27 -5.31 0.00 6.45 3.02 0.66 -4.81 115.26 113.00 1f55 n ASN 23 Ca 0.03 0.41 0.03 0.00 -0.03 0.00 0.00 54.58 55.02 1f55 n ASN 23 Cb 0.46 -4.28 0.16 0.00 -0.61 0.00 0.00 39.78 35.51 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 -1.02 0.00 -0.01 6.41 5.03 -1.26 -4.80 115.26 119.61 1f55 n ASN 24 Ca -0.17 -1.73 -0.00 0.00 0.87 0.00 0.00 54.58 53.56 1f55 n ASN 24 Cb 0.60 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.36 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 0.53 0.45 3.09 7.41 0.00 -1.26 -5.01 105.19 110.40 1f55 n GLY 25 Ca 0.04 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.44 -0.13 -0.10 1.61 0.15 -1.26 -3.94 113.70 107.59 1f55 s SER 26 Ca 0.00 0.19 -0.00 0.00 0.70 0.00 0.00 55.95 56.83 1f55 s SER 26 Cb 0.00 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.61 1f55 s SER 26 CO 0.00 -0.17 -0.07 -0.63 1.20 0.00 0.00 173.24 173.57 1f55 s ILE 27 N -0.42 3.68 0.00 6.45 1.01 0.66 -4.62 121.20 127.95 1f55 s ILE 27 Ca -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1f55 s ILE 27 Cb -0.03 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1f55 s ILE 27 CO 0.01 0.56 0.00 -0.24 0.00 0.00 0.00 174.94 175.27 1f55 n SER 28 N 2.69 1.01 0.00 3.58 2.88 -1.26 -0.32 113.62 122.20 1f55 n SER 28 Ca -0.18 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 1f55 n SER 28 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1f55 n SER 28 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1f55 n SER 29 N -0.24 0.00 -0.32 -3.46 3.41 -1.26 -2.52 113.62 109.23 1f55 n SER 29 Ca 0.00 0.05 0.20 0.00 -0.26 0.00 0.00 58.87 58.85 1f55 n SER 29 Cb 0.00 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.34 1f55 n SER 29 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1f55 h SER 30 N 0.00 0.07 -0.52 4.04 0.02 -1.96 -0.93 113.55 114.26 1f55 h SER 30 Ca 0.00 0.23 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 1f55 h SER 30 Cb 0.00 0.29 -0.07 0.00 0.14 0.00 0.00 62.40 62.76 1f55 h SER 30 CO 0.00 -0.26 -0.42 -0.33 -1.14 0.00 0.00 176.83 174.68 1f55 h GLU 31 N 0.14 -0.14 -0.34 3.45 5.08 -1.84 1.75 114.58 122.68 1f55 h GLU 31 Ca 0.66 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 59.05 1f55 h GLU 31 Cb 1.49 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 1f55 h GLU 31 CO -0.73 -0.09 0.20 1.25 -1.00 0.00 0.00 179.01 178.63 1f55 h LEU 32 N -0.15 0.31 -0.96 1.33 7.12 -0.88 -0.56 115.31 121.53 1f55 h LEU 32 Ca 0.09 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1f55 h LEU 32 Cb 0.37 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 1f55 h LEU 32 CO -0.57 0.23 0.00 0.00 -0.13 0.00 0.00 178.44 177.97 1f55 n ALA 33 N -2.23 1.44 -0.28 1.25 0.00 -0.23 -2.66 120.51 117.81 1f55 n ALA 33 Ca -0.00 0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.64 1f55 n ALA 33 Cb 0.06 -1.36 0.30 0.00 0.00 0.00 0.00 19.45 18.44 1f55 n ALA 33 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1f55 h THR 34 N 0.00 0.97 -0.17 0.00 2.02 0.43 0.20 112.91 116.35 1f55 h THR 34 Ca 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1f55 h THR 34 Cb 0.24 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1f55 h THR 34 CO 0.00 0.16 0.00 1.33 0.37 0.00 0.00 175.52 177.38 1f55 n VAL 35 N -4.52 0.22 0.00 3.16 0.24 -1.09 -4.07 118.33 112.27 1f55 n VAL 35 Ca 0.15 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1f55 n VAL 35 Cb 0.30 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.92 1f55 n VAL 35 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1f55 n MET 36 N 0.19 0.00 -0.30 7.34 2.81 0.68 -4.15 117.12 123.70 1f55 n MET 36 Ca 0.15 0.10 0.34 0.00 -1.81 0.00 0.00 57.70 56.47 1f55 n MET 36 Cb 0.28 -0.46 0.61 0.00 -0.71 0.00 0.00 33.22 32.94 1f55 n MET 36 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 1f55 h ARG 37 N 0.00 0.00 0.00 0.03 0.11 -0.96 1.11 114.38 114.68 1f55 h ARG 37 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1f55 h ARG 37 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1f55 h ARG 37 CO 0.00 0.00 0.00 -1.13 0.10 0.00 0.00 179.97 178.94 1f55 n SER 38 N -3.58 0.00 -1.76 0.08 3.41 -1.26 -4.27 113.62 106.24 1f55 n SER 38 Ca 0.26 0.08 -0.08 0.00 -0.26 0.00 0.00 58.87 58.87 1f55 n SER 38 Cb 1.48 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 65.68 1f55 n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1f55 n LEU 39 N -0.09 5.61 0.00 1.04 4.32 -1.11 -4.76 117.00 122.01 1f55 n LEU 39 Ca 0.00 -3.40 0.00 0.00 -0.02 0.00 0.00 56.01 52.59 1f55 n LEU 39 Cb 0.00 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.08 1f55 n LEU 39 CO 0.00 0.94 0.00 0.61 -1.22 0.00 0.00 177.39 177.72 1f55 n GLY 40 N -0.62 0.27 3.62 -0.72 0.00 0.35 -5.03 105.19 103.06 1f55 n GLY 40 Ca 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.38 1f55 n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f55 s LEU 41 N -0.90 -0.17 -0.74 0.99 2.96 0.73 -4.83 118.68 116.72 1f55 s LEU 41 Ca 0.00 0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 54.05 1f55 s LEU 41 Cb 0.00 1.40 0.19 0.00 0.50 0.00 0.00 46.19 48.28 1f55 s LEU 41 CO 0.00 -0.14 0.61 -0.94 -1.32 0.00 0.00 176.35 174.56 1f55 s SER 42 N -0.86 5.94 0.00 3.68 1.04 -1.26 -1.01 113.70 121.22 1f55 s SER 42 Ca 0.05 -2.87 0.00 0.00 0.48 0.00 0.00 55.95 53.61 1f55 s SER 42 Cb -0.01 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.10 1f55 s SER 42 CO -0.05 -0.43 0.00 -0.81 0.98 0.00 0.00 173.24 172.92 1f55 n PRO 43 N 3.58 0.00 0.00 4.02 -0.04 -1.26 -4.99 135.00 136.30 1f55 n PRO 43 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1f55 n PRO 43 Cb 0.41 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.70 1f55 n PRO 43 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1f55 n SER 44 N 0.00 0.00 -0.27 3.54 3.41 -1.26 -4.97 113.62 114.07 1f55 n SER 44 Ca 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.79 1f55 n SER 44 Cb 0.00 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.29 1f55 n SER 44 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1f55 n GLU 45 N -0.24 -0.06 -0.05 4.33 -0.00 -1.26 0.96 120.64 124.32 1f55 n GLU 45 Ca 0.00 1.16 -0.08 0.00 -0.00 0.00 0.00 57.16 58.24 1f55 n GLU 45 Cb 0.00 -1.95 -0.02 0.00 -0.00 0.00 0.00 31.44 29.47 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1f55 h ALA 46 N 1.61 -0.11 0.00 -1.84 0.00 -1.98 0.65 119.26 117.59 1f55 h ALA 46 Ca 0.57 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.45 1f55 h ALA 46 Cb 1.36 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 1f55 h ALA 46 CO -0.70 -0.66 -0.54 0.93 0.00 0.00 0.00 179.25 178.29 1f55 h GLU 47 N -0.24 0.00 0.17 0.00 5.08 0.22 -2.38 114.58 117.44 1f55 h GLU 47 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1f55 h GLU 47 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1f55 h GLU 47 CO -0.39 0.54 -0.08 0.28 -1.00 0.00 0.00 179.01 178.36 1f55 h VAL 48 N 0.00 0.00 -0.97 3.13 2.07 0.12 -2.67 116.25 117.93 1f55 h VAL 48 Ca -0.01 -0.15 0.17 0.00 0.82 0.00 0.00 66.70 67.53 1f55 h VAL 48 Cb 1.26 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.94 1f55 h VAL 48 CO 0.07 0.00 0.61 -1.13 0.02 0.00 0.00 177.57 177.14 1f55 h ASN 49 N -0.37 0.74 -0.35 0.57 -0.73 0.11 -0.86 115.58 114.68 1f55 h ASN 49 Ca -0.02 0.07 0.07 0.00 1.87 0.00 0.00 56.30 58.28 1f55 h ASN 49 Cb 0.17 -0.08 -0.06 0.00 0.27 0.00 0.00 38.32 38.63 1f55 h ASN 49 CO 0.04 0.32 -0.07 0.44 -0.37 0.00 0.00 177.43 177.80 1f55 h ASP 50 N 0.76 -0.28 0.53 1.15 3.32 -1.45 0.55 116.42 121.00 1f55 h ASP 50 Ca 0.52 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.65 1f55 h ASP 50 Cb 0.81 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1f55 h ASP 50 CO -0.29 -0.10 -0.37 -0.07 -1.72 0.00 0.00 179.24 176.69 1f55 h LEU 51 N 0.02 -0.97 -0.42 1.55 3.38 -0.80 0.74 115.31 118.82 1f55 h LEU 51 Ca 0.17 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.29 1f55 h LEU 51 Cb 0.25 0.30 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 1f55 h LEU 51 CO -0.34 -0.56 -0.27 -0.03 0.09 0.00 0.00 178.44 177.33 1f55 h MET 52 N -0.88 -0.19 0.25 1.13 4.05 -1.15 -1.06 114.93 117.09 1f55 h MET 52 Ca -0.06 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1f55 h MET 52 Cb 0.73 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.58 1f55 h MET 52 CO 0.03 -0.12 -0.12 -0.97 0.23 0.00 0.00 176.91 175.95 1f55 h ASN 53 N -0.19 -0.29 -0.78 1.39 -0.73 -0.64 0.11 115.58 114.45 1f55 h ASN 53 Ca 0.19 -0.08 0.12 0.00 1.87 0.00 0.00 56.30 58.40 1f55 h ASN 53 Cb 0.50 0.07 -0.13 0.00 0.27 0.00 0.00 38.32 39.03 1f55 h ASN 53 CO -0.53 -0.10 -0.40 -0.33 -0.37 0.00 0.00 177.43 175.71 1f55 h GLU 54 N -0.47 -0.10 0.00 6.67 5.08 0.12 1.30 114.58 127.19 1f55 h GLU 54 Ca -0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1f55 h GLU 54 Cb 0.35 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1f55 h GLU 54 CO 0.06 -0.07 0.00 -0.89 -1.00 0.00 0.00 179.01 177.11 1f55 n ILE 55 N -5.43 0.54 -1.15 3.13 5.41 -0.47 -4.82 119.36 116.57 1f55 n ILE 55 Ca 0.06 0.03 -0.31 0.00 1.00 0.00 0.00 62.75 63.52 1f55 n ILE 55 Cb 0.37 -0.76 0.11 0.00 -0.71 0.00 0.00 39.64 38.64 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1f55 s ASP 56 N -3.63 4.11 0.00 4.38 -1.08 0.45 -4.46 116.67 116.43 1f55 s ASP 56 Ca 0.10 1.95 0.00 0.00 -0.52 0.00 0.00 52.55 54.08 1f55 s ASP 56 Cb 0.13 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1f55 s ASP 56 CO 0.46 -2.30 0.00 1.33 0.52 0.00 0.00 175.17 175.18 1f55 n VAL 57 N -3.61 0.00 0.71 1.11 0.24 -1.26 -4.77 118.33 110.75 1f55 n VAL 57 Ca 0.10 0.00 0.10 0.00 -2.04 0.00 0.00 64.34 62.50 1f55 n VAL 57 Cb 0.53 -0.49 -0.13 0.00 -1.47 0.00 0.00 33.84 32.27 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 -1.96 0.71 -1.79 -1.34 5.75 -1.26 -5.03 116.55 111.64 1f55 n ASP 58 Ca 0.00 -0.71 -0.01 0.00 -0.01 0.00 0.00 54.79 54.06 1f55 n ASP 58 Cb 0.35 1.29 0.00 0.00 -1.03 0.00 0.00 41.12 41.73 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 1.43 -0.60 1.08 6.12 0.00 -1.26 -5.01 105.19 106.95 1f55 n GLY 59 Ca 0.02 0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.91 1.48 0.00 1.61 6.94 -1.26 -4.94 115.26 118.17 1f55 n ASN 60 Ca 0.01 -3.03 0.00 0.00 -0.02 0.00 0.00 54.58 51.53 1f55 n ASN 60 Cb 0.36 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 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 -0.39 0.00 -3.60 -2.53 8.25 -1.26 -4.88 115.22 110.81 1f55 n HIS 61 Ca 0.14 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.55 1f55 n HIS 61 Cb 0.90 -1.56 -0.02 0.00 1.12 0.00 0.00 29.99 30.43 1f55 n HIS 61 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1f55 s GLN 62 N -1.54 0.72 0.09 -0.41 0.00 -1.25 -4.01 119.66 113.26 1f55 s GLN 62 Ca 0.00 -0.33 0.03 0.00 -0.00 0.00 0.00 55.36 55.06 1f55 s GLN 62 Cb 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 33.01 33.27 1f55 s GLN 62 CO 0.00 -0.32 -0.09 0.96 0.00 0.00 0.00 175.29 175.83 1f55 s ILE 63 N -2.89 0.84 0.00 3.63 -5.25 0.57 -4.82 121.20 113.28 1f55 s ILE 63 Ca 0.09 -1.61 0.00 0.00 -0.99 0.00 0.00 60.65 58.14 1f55 s ILE 63 Cb -0.00 -1.31 0.00 0.00 2.95 0.00 0.00 42.46 44.10 1f55 s ILE 63 CO -0.04 -0.59 0.00 -0.62 -1.79 0.00 0.00 174.94 171.89 1f55 n GLU 64 N 0.58 2.11 0.00 0.37 1.02 -1.26 0.24 120.64 123.69 1f55 n GLU 64 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1f55 n GLU 64 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.00 1f55 n GLU 64 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1f55 n PHE 65 N -0.38 0.00 -0.23 -0.32 7.35 -1.25 -2.21 117.46 120.41 1f55 n PHE 65 Ca 0.00 0.00 0.22 0.00 -0.76 0.00 0.00 57.45 56.91 1f55 n PHE 65 Cb 0.00 -0.37 0.41 0.00 0.35 0.00 0.00 39.48 39.87 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 -1.60 0.23 -0.10 -2.13 2.88 -1.26 0.26 113.62 111.89 1f55 n SER 66 Ca 0.00 1.21 -0.10 0.00 -1.33 0.00 0.00 58.87 58.65 1f55 n SER 66 Cb 0.00 -0.58 -0.03 0.00 -0.75 0.00 0.00 64.21 62.85 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 0.50 -0.47 -1.46 5.08 -1.86 -0.78 114.58 115.59 1f55 h GLU 67 Ca 0.61 -0.12 0.12 0.00 -1.00 0.00 0.00 59.36 58.97 1f55 h GLU 67 Cb 1.58 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 1f55 h GLU 67 CO -0.57 0.57 0.33 0.35 -1.00 0.00 0.00 179.01 178.69 1f55 h PHE 68 N 0.34 0.08 0.04 4.33 3.57 0.41 0.11 116.94 125.82 1f55 h PHE 68 Ca 0.10 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.34 1f55 h PHE 68 Cb 0.30 -0.03 0.02 0.00 2.79 0.00 0.00 35.95 39.03 1f55 h PHE 68 CO 0.02 0.04 -1.08 -0.07 -2.23 0.00 0.00 178.31 174.99 1f55 h LEU 69 N 0.08 0.74 -0.39 0.59 -0.00 -0.53 0.87 115.31 116.67 1f55 h LEU 69 Ca 0.22 -0.63 0.07 0.00 -0.00 0.00 0.00 57.88 57.54 1f55 h LEU 69 Cb 0.78 -0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 41.15 1f55 h LEU 69 CO -0.02 1.44 -0.00 0.00 -0.00 0.00 0.00 178.44 179.86 1f55 h ALA 70 N 0.50 0.35 0.13 1.53 0.00 0.44 -2.45 119.26 119.76 1f55 h ALA 70 Ca -0.13 0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1f55 h ALA 70 Cb 1.73 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1f55 h ALA 70 CO 0.20 -0.40 -1.40 1.25 0.00 0.00 0.00 179.25 178.90 1f55 h LEU 71 N 0.10 0.45 0.00 0.00 5.85 -1.56 -3.32 115.31 116.83 1f55 h LEU 71 Ca 0.19 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 58.03 1f55 h LEU 71 Cb 0.27 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1f55 h LEU 71 CO -0.32 1.63 0.00 0.80 -0.34 0.00 0.00 178.44 180.21 1f55 n MET 72 N -3.89 0.00 -1.98 1.25 0.00 0.30 -3.94 117.12 108.87 1f55 n MET 72 Ca -0.23 0.25 -0.39 0.00 -0.00 0.00 0.00 57.70 57.33 1f55 n MET 72 Cb 0.93 -0.95 -0.03 0.00 0.00 0.00 0.00 33.22 33.16 1f55 n MET 72 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1f55 s SER 73 N -2.55 5.22 0.85 6.12 1.04 -0.93 -4.78 113.70 118.66 1f55 s SER 73 Ca 0.00 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.93 1f55 s SER 73 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1f55 s SER 73 CO 0.00 -2.38 0.00 0.54 0.98 0.00 0.00 173.24 172.38 1f55 n ARG 74 N 9.10 0.00 0.00 4.02 1.74 -1.25 -4.79 116.66 125.47 1f55 n ARG 74 Ca 0.23 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 1f55 n ARG 74 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 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 0.00 3.80 0.29 5.56 10.64 -1.25 -4.31 117.38 132.10 1f55 n GLN 75 Ca 0.00 0.00 -0.17 0.00 -1.83 0.00 0.00 57.00 55.00 1f55 n GLN 75 Cb 0.00 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.29 1f55 n GLN 75 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1f55 h LEU 76 N 0.00 -1.16 0.00 2.61 4.07 -1.90 -3.42 115.31 115.51 1f55 h LEU 76 Ca 0.00 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1f55 h LEU 76 Cb 0.00 0.38 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1f55 h LEU 76 CO 0.00 -0.60 0.00 1.17 -1.08 0.00 0.00 178.44 177.93