#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 -0.78 -2.84 -3.46 7.64 -1.26 -5.00 113.62 107.92 1f55 n SER 2 Ca 0.00 -1.55 -0.17 0.00 1.01 0.00 0.00 58.87 58.16 1f55 n SER 2 Cb 0.00 0.24 -0.04 0.00 -1.01 0.00 0.00 64.21 63.40 1f55 n SER 2 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1f55 n ASN 3 N -0.03 4.23 -2.31 6.43 5.15 -1.26 -4.57 115.26 122.90 1f55 n ASN 3 Ca -0.21 -2.23 -0.10 0.00 -0.60 0.00 0.00 54.58 51.45 1f55 n ASN 3 Cb 0.60 -0.99 -0.02 0.00 -0.53 0.00 0.00 39.78 38.84 1f55 n ASN 3 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1f55 n LEU 4 N 3.68 0.00 0.00 1.20 -0.00 -1.26 -4.41 117.00 116.21 1f55 n LEU 4 Ca 0.37 -1.88 0.00 0.00 -0.00 0.00 0.00 56.01 54.50 1f55 n LEU 4 Cb 0.26 1.69 0.00 0.00 -0.00 0.00 0.00 43.42 45.37 1f55 n LEU 4 CO 0.52 -0.43 0.00 0.35 -0.00 0.00 0.00 177.39 177.82 1f55 n THR 5 N -0.38 0.00 -0.65 1.47 -2.24 -1.26 0.49 114.28 111.71 1f55 n THR 5 Ca 0.00 0.00 0.50 0.00 -2.27 0.00 0.00 64.05 62.28 1f55 n THR 5 Cb 0.39 0.00 0.79 0.00 -2.10 0.00 0.00 70.33 69.40 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 0.00 -0.09 -0.78 4.11 -1.97 1.19 114.58 117.04 1f55 h GLU 6 Ca 0.00 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1f55 h GLU 6 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1f55 h GLU 6 CO 0.00 0.00 -0.09 1.49 0.07 0.00 0.00 179.01 180.48 1f55 h GLU 7 N 0.00 0.22 -0.12 1.06 4.81 -0.21 -0.81 114.58 119.53 1f55 h GLU 7 Ca 0.93 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.98 1f55 h GLU 7 Cb 3.54 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 32.92 1f55 h GLU 7 CO -0.14 0.65 -0.16 -0.56 -0.73 0.00 0.00 179.01 178.07 1f55 h GLN 8 N -0.20 0.32 0.22 1.92 3.07 0.16 -2.75 115.11 117.85 1f55 h GLN 8 Ca 0.01 -0.18 -0.00 0.00 0.09 0.00 0.00 58.65 58.57 1f55 h GLN 8 Cb 0.61 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.16 1f55 h GLN 8 CO 0.02 0.75 -0.34 0.82 0.09 0.00 0.00 178.83 180.17 1f55 h ILE 9 N -0.09 0.00 -0.85 1.86 2.04 -0.49 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 0.71 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.63 1f55 h ILE 9 CO 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 178.09 1f55 h ALA 10 N -1.06 0.75 -0.83 1.87 0.00 -1.22 0.87 119.26 119.64 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 0.54 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1f55 h ALA 10 CO -0.11 -0.44 0.44 1.49 0.00 0.00 0.00 179.25 180.63 1f55 h GLU 11 N 0.03 1.17 0.13 0.00 4.22 -1.05 -2.86 114.58 116.23 1f55 h GLU 11 Ca 0.45 -0.15 -0.01 0.00 0.08 0.00 0.00 59.36 59.73 1f55 h GLU 11 Cb 0.77 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1f55 h GLU 11 CO -0.83 0.87 -0.06 0.74 -2.18 0.00 0.00 179.01 177.55 1f55 h PHE 12 N 1.16 -0.17 -0.89 0.92 0.04 0.50 -2.66 116.94 115.84 1f55 h PHE 12 Ca 0.29 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.19 1f55 h PHE 12 Cb 0.06 0.06 -0.14 0.00 2.20 0.00 0.00 35.95 38.12 1f55 h PHE 12 CO 0.01 0.13 -0.41 0.87 -0.60 0.00 0.00 178.31 178.31 1f55 h LYS 13 N -0.47 -0.05 -0.65 1.51 1.57 0.00 1.52 116.57 120.00 1f55 h LYS 13 Ca -0.02 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1f55 h LYS 13 Cb 0.37 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.63 1f55 h LYS 13 CO 0.03 -0.03 0.31 1.49 -0.57 0.00 0.00 179.45 180.67 1f55 h GLU 14 N -0.05 0.52 -0.18 3.15 4.57 -1.46 -1.76 114.58 119.37 1f55 h GLU 14 Ca 0.29 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 1f55 h GLU 14 Cb 0.57 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.03 1f55 h GLU 14 CO -0.91 0.35 0.02 0.00 -1.18 0.00 0.00 179.01 177.29 1f55 h ALA 15 N 1.40 0.24 -0.21 2.92 0.00 0.12 -2.82 119.26 120.91 1f55 h ALA 15 Ca 0.32 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1f55 h ALA 15 Cb 0.33 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1f55 h ALA 15 CO -0.26 -0.08 -0.29 0.35 0.00 0.00 0.00 179.25 178.97 1f55 h PHE 16 N 0.08 -0.89 -0.82 0.00 3.57 0.25 0.56 116.94 119.69 1f55 h PHE 16 Ca 0.05 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.78 1f55 h PHE 16 Cb 0.33 0.42 -0.15 0.00 2.79 0.00 0.00 35.95 39.34 1f55 h PHE 16 CO 0.02 -0.26 -0.09 0.00 -2.23 0.00 0.00 178.31 175.76 1f55 h ALA 17 N -0.65 0.73 -1.18 2.41 0.00 -1.42 1.17 119.26 120.32 1f55 h ALA 17 Ca 0.04 0.29 0.35 0.00 0.00 0.00 0.00 54.91 55.59 1f55 h ALA 17 Cb 0.31 0.54 -0.11 0.00 0.00 0.00 0.00 17.79 18.54 1f55 h ALA 17 CO -0.31 -0.44 0.76 1.25 0.00 0.00 0.00 179.25 180.52 1f55 h LEU 18 N 0.04 0.33 -0.11 0.00 5.85 -0.63 0.45 115.31 121.23 1f55 h LEU 18 Ca 0.43 0.10 -0.16 0.00 0.84 0.00 0.00 57.88 59.10 1f55 h LEU 18 Cb 0.74 0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.85 1f55 h LEU 18 CO -0.79 -0.04 -0.56 -0.26 -0.34 0.00 0.00 178.44 176.45 1f55 h PHE 19 N 0.23 0.78 -4.07 1.25 0.04 0.19 -3.40 116.94 111.96 1f55 h PHE 19 Ca 0.70 -0.34 -0.45 0.00 2.80 0.00 0.00 57.97 60.68 1f55 h PHE 19 Cb 2.05 -0.12 0.15 0.00 2.20 0.00 0.00 35.95 40.22 1f55 h PHE 19 CO -0.00 1.13 0.28 0.34 -0.60 0.00 0.00 178.31 179.46 1f55 s ASP 20 N -6.76 2.99 -0.13 2.17 2.15 0.16 -1.87 116.67 115.38 1f55 s ASP 20 Ca -0.12 0.84 0.16 0.00 0.43 0.00 0.00 52.55 53.85 1f55 s ASP 20 Cb 0.06 -1.30 0.28 0.00 -0.30 0.00 0.00 42.92 41.67 1f55 s ASP 20 CO 0.84 -2.86 1.15 0.29 -0.17 0.00 0.00 175.17 174.41 1f55 n LYS 21 N -3.95 1.17 -0.51 4.34 5.02 -1.26 -4.73 118.16 118.23 1f55 n LYS 21 Ca 0.09 -2.51 -0.02 0.00 -2.02 0.00 0.00 58.31 53.84 1f55 n LYS 21 Cb 0.59 -1.38 -0.02 0.00 -0.02 0.00 0.00 35.03 34.20 1f55 n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1f55 n ASP 22 N -1.20 -0.26 -4.26 4.39 5.68 -1.26 -4.99 116.55 114.64 1f55 n ASP 22 Ca 0.15 -0.82 -0.37 0.00 -0.50 0.00 0.00 54.79 53.25 1f55 n ASP 22 Cb 0.66 0.08 -0.07 0.00 -1.14 0.00 0.00 41.12 40.65 1f55 n ASP 22 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1f55 n ASN 23 N 0.00 -1.75 -0.06 -1.12 3.02 -1.26 -4.72 115.26 109.36 1f55 n ASN 23 Ca -0.07 -1.01 0.03 0.00 -0.03 0.00 0.00 54.58 53.50 1f55 n ASN 23 Cb 0.38 -1.55 0.15 0.00 -0.61 0.00 0.00 39.78 38.16 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 -2.33 0.18 -0.29 6.41 5.03 -1.26 -4.81 115.26 118.18 1f55 n ASN 24 Ca 0.10 -1.86 -0.04 0.00 0.87 0.00 0.00 54.58 53.66 1f55 n ASN 24 Cb 0.46 -0.02 -0.02 0.00 -1.02 0.00 0.00 39.78 39.18 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 0.62 0.56 3.20 7.41 0.00 -1.26 -4.95 105.19 110.77 1f55 n GLY 25 Ca 0.04 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 1f55 n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f55 s SER 26 N -2.28 -0.39 -0.13 1.61 1.04 -1.26 -3.16 113.70 109.13 1f55 s SER 26 Ca 0.00 0.72 -0.01 0.00 0.48 0.00 0.00 55.95 57.14 1f55 s SER 26 Cb 0.00 0.65 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 1f55 s SER 26 CO 0.00 -0.16 -0.11 -0.63 0.98 0.00 0.00 173.24 173.32 1f55 s ILE 27 N 0.96 3.25 0.00 -1.02 1.01 0.35 -4.80 121.20 120.95 1f55 s ILE 27 Ca -0.06 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1f55 s ILE 27 Cb -0.07 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.02 1f55 s ILE 27 CO -0.07 0.52 0.00 -1.20 0.00 0.00 0.00 174.94 174.19 1f55 n SER 28 N 3.49 0.00 0.35 3.58 7.64 -1.26 -0.22 113.62 127.20 1f55 n SER 28 Ca -0.18 -0.66 -0.16 0.00 1.01 0.00 0.00 58.87 58.87 1f55 n SER 28 Cb 0.53 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.64 1f55 n SER 28 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1f55 h SER 29 N 0.00 -0.76 0.06 6.43 0.02 -1.90 -2.64 113.55 114.76 1f55 h SER 29 Ca 0.00 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1f55 h SER 29 Cb 0.00 0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1f55 h SER 29 CO 0.00 -0.44 -0.03 0.28 -1.14 0.00 0.00 176.83 175.50 1f55 h SER 30 N -1.05 -0.07 -0.12 3.07 0.02 -1.94 -2.54 113.55 110.91 1f55 h SER 30 Ca -0.09 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1f55 h SER 30 Cb 0.72 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1f55 h SER 30 CO 0.15 0.12 -0.10 -0.33 -1.14 0.00 0.00 176.83 175.53 1f55 h GLU 31 N -0.25 -0.03 -1.02 3.45 5.08 -1.81 0.52 114.58 120.52 1f55 h GLU 31 Ca -0.01 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.60 1f55 h GLU 31 Cb 0.22 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.37 1f55 h GLU 31 CO 0.01 -0.02 0.63 1.25 -1.00 0.00 0.00 179.01 179.88 1f55 h LEU 32 N -0.03 0.58 -0.99 1.33 6.46 -0.99 0.97 115.31 122.64 1f55 h LEU 32 Ca 0.02 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1f55 h LEU 32 Cb 0.09 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1f55 h LEU 32 CO -0.13 0.13 0.00 0.00 -0.62 0.00 0.00 178.44 177.82 1f55 h ALA 33 N 1.66 1.00 0.00 1.25 0.00 -0.03 -2.67 119.26 120.47 1f55 h ALA 33 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1f55 h ALA 33 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1f55 h ALA 33 CO -0.36 0.00 0.00 2.41 0.00 0.00 0.00 179.25 181.30 1f55 n THR 34 N -2.74 0.25 -0.02 0.00 -1.04 0.34 -1.25 114.28 109.81 1f55 n THR 34 Ca 0.02 0.06 0.02 0.00 -2.04 0.00 0.00 64.05 62.11 1f55 n THR 34 Cb 0.30 -0.76 -0.13 0.00 -1.82 0.00 0.00 70.33 67.92 1f55 n THR 34 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1f55 n VAL 35 N -1.15 0.75 -0.03 12.58 3.14 -1.00 -4.25 118.33 128.36 1f55 n VAL 35 Ca 0.11 -0.66 -0.07 0.00 -2.96 0.00 0.00 64.34 60.77 1f55 n VAL 35 Cb 0.11 -0.34 -0.02 0.00 -1.06 0.00 0.00 33.84 32.52 1f55 n VAL 35 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1f55 n MET 36 N -2.59 0.23 0.05 1.45 2.81 -1.04 -4.49 117.12 113.54 1f55 n MET 36 Ca -0.14 0.09 0.21 0.00 -1.81 0.00 0.00 57.70 56.06 1f55 n MET 36 Cb 0.81 -0.89 0.65 0.00 -0.71 0.00 0.00 33.22 33.08 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 -0.41 0.00 0.00 0.03 2.43 -1.20 2.11 114.38 117.33 1f55 h ARG 37 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1f55 h ARG 37 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1f55 h ARG 37 CO -0.06 0.00 0.00 0.43 -1.51 0.00 0.00 179.97 178.83 1f55 n SER 38 N -3.45 0.00 -0.04 -3.80 7.64 -1.26 -4.46 113.62 108.25 1f55 n SER 38 Ca 0.10 0.21 0.01 0.00 1.01 0.00 0.00 58.87 60.20 1f55 n SER 38 Cb 0.84 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.05 1f55 n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1f55 n LEU 39 N -0.23 1.14 -0.01 -3.43 4.77 -1.18 -4.70 117.00 113.37 1f55 n LEU 39 Ca 0.00 -1.27 0.04 0.00 -0.03 0.00 0.00 56.01 54.74 1f55 n LEU 39 Cb 0.00 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 1f55 n LEU 39 CO 0.00 0.31 -0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1f55 n GLY 40 N -0.36 0.23 0.00 -0.72 0.00 0.03 -5.08 105.19 99.29 1f55 n GLY 40 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.12 0.00 -2.66 0.99 7.94 0.69 -4.86 117.00 117.98 1f55 n LEU 41 Ca 0.02 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.88 1f55 n LEU 41 Cb 0.13 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.15 1f55 n LEU 41 CO 0.15 0.00 0.69 -0.24 -1.11 0.00 0.00 177.39 176.88 1f55 n SER 42 N 0.00 -1.25 -3.29 1.96 2.88 -1.26 -3.45 113.62 109.21 1f55 n SER 42 Ca 0.00 -1.87 0.00 0.00 -1.33 0.00 0.00 58.87 55.67 1f55 n SER 42 Cb 0.00 1.13 0.00 0.00 -0.75 0.00 0.00 64.21 64.59 1f55 n SER 42 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1f55 n PRO 43 N 0.18 1.05 -4.29 -1.46 -0.04 -1.26 -5.00 135.00 124.19 1f55 n PRO 43 Ca -0.11 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.19 1f55 n PRO 43 Cb 0.73 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 34.09 1f55 n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1f55 s SER 44 N -1.29 1.11 0.18 3.54 0.01 -1.26 -4.92 113.70 111.07 1f55 s SER 44 Ca 0.00 -1.34 -0.09 0.00 1.31 0.00 0.00 55.95 55.83 1f55 s SER 44 Cb 0.00 0.17 0.25 0.00 0.21 0.00 0.00 66.02 66.65 1f55 s SER 44 CO 0.00 -0.70 1.12 1.21 0.41 0.00 0.00 173.24 175.28 1f55 n GLU 45 N -0.40 -0.12 -0.29 12.44 4.07 -1.26 0.13 120.64 135.21 1f55 n GLU 45 Ca -0.01 1.12 0.03 0.00 -0.06 0.00 0.00 57.16 58.24 1f55 n GLU 45 Cb 0.66 -1.66 0.11 0.00 -0.06 0.00 0.00 31.44 30.48 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1f55 h ALA 46 N 1.20 0.58 0.03 4.31 0.00 -1.97 0.92 119.26 124.33 1f55 h ALA 46 Ca 0.30 0.32 -0.04 0.00 0.00 0.00 0.00 54.91 55.49 1f55 h ALA 46 Cb 0.48 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1f55 h ALA 46 CO -0.73 -0.40 -0.18 1.49 0.00 0.00 0.00 179.25 179.42 1f55 h GLU 47 N 0.00 0.07 0.06 0.00 4.57 0.74 -2.12 114.58 117.91 1f55 h GLU 47 Ca 0.41 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1f55 h GLU 47 Cb 0.63 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1f55 h GLU 47 CO -0.86 1.03 -0.12 0.28 -1.18 0.00 0.00 179.01 178.16 1f55 h VAL 48 N -0.82 0.00 -0.78 0.32 2.07 0.87 0.10 116.25 118.02 1f55 h VAL 48 Ca -0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.60 1f55 h VAL 48 Cb 1.12 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 1f55 h VAL 48 CO 0.03 0.00 0.40 -1.13 0.02 0.00 0.00 177.57 176.89 1f55 h ASN 49 N -0.20 0.51 -0.99 0.57 -1.24 0.65 -0.19 115.58 114.69 1f55 h ASN 49 Ca -0.01 0.07 0.13 0.00 0.71 0.00 0.00 56.30 57.20 1f55 h ASN 49 Cb 0.19 -0.02 -0.09 0.00 0.73 0.00 0.00 38.32 39.13 1f55 h ASN 49 CO -0.05 0.27 0.62 -0.78 -1.29 0.00 0.00 177.43 176.21 1f55 h ASP 50 N 0.64 0.88 0.57 1.15 3.58 -0.89 -0.45 116.42 121.90 1f55 h ASP 50 Ca 0.39 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.87 1f55 h ASP 50 Cb 0.46 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 41.39 1f55 h ASP 50 CO -0.30 0.45 -0.27 0.25 -2.88 0.00 0.00 179.24 176.49 1f55 h LEU 51 N 0.93 -0.65 -0.33 2.28 6.46 0.11 0.17 115.31 124.28 1f55 h LEU 51 Ca 0.50 -0.04 0.07 0.00 -0.12 0.00 0.00 57.88 58.30 1f55 h LEU 51 Cb 0.57 0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 40.59 1f55 h LEU 51 CO -0.27 -0.34 -0.11 -0.03 -0.62 0.00 0.00 178.44 177.06 1f55 h MET 52 N -0.95 -0.04 0.10 1.25 4.05 -1.11 -2.17 114.93 116.07 1f55 h MET 52 Ca -0.08 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 1f55 h MET 52 Cb 0.64 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1f55 h MET 52 CO 0.13 -0.03 -0.06 -0.97 0.23 0.00 0.00 176.91 176.21 1f55 h ASN 53 N -0.05 -0.15 -1.32 1.39 -1.24 -1.05 1.37 115.58 114.54 1f55 h ASN 53 Ca 0.17 0.01 0.39 0.00 0.71 0.00 0.00 56.30 57.57 1f55 h ASN 53 Cb 0.30 0.04 -0.08 0.00 0.73 0.00 0.00 38.32 39.31 1f55 h ASN 53 CO -0.37 -0.10 0.91 -0.33 -1.29 0.00 0.00 177.43 176.25 1f55 h GLU 54 N -0.16 0.11 0.00 6.67 4.39 -0.04 0.43 114.58 125.98 1f55 h GLU 54 Ca -0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1f55 h GLU 54 Cb 0.13 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1f55 h GLU 54 CO 0.01 0.07 -1.47 -0.89 -1.16 0.00 0.00 179.01 175.58 1f55 n ILE 55 N -4.37 0.00 -1.30 3.13 5.41 -0.70 -4.78 119.36 116.75 1f55 n ILE 55 Ca 0.32 -0.30 -0.29 0.00 1.00 0.00 0.00 62.75 63.48 1f55 n ILE 55 Cb 1.34 0.41 -0.10 0.00 -0.71 0.00 0.00 39.64 40.58 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1f55 n ASP 56 N -1.87 1.68 -0.36 4.38 -0.08 0.46 -4.68 116.55 116.08 1f55 n ASP 56 Ca -0.01 -2.55 0.30 0.00 -1.51 0.00 0.00 54.79 51.02 1f55 n ASP 56 Cb 0.40 -1.30 0.61 0.00 2.34 0.00 0.00 41.12 43.17 1f55 n ASP 56 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1f55 h VAL 57 N 5.84 0.40 0.02 5.18 -1.51 -1.86 0.20 116.25 124.52 1f55 h VAL 57 Ca 0.16 -0.07 -0.34 0.00 -1.23 0.00 0.00 66.70 65.22 1f55 h VAL 57 Cb 0.86 0.17 -0.06 0.00 -2.13 0.00 0.00 31.29 30.13 1f55 h VAL 57 CO 1.46 0.04 -2.07 0.47 -1.23 0.00 0.00 177.57 176.24 1f55 n ASP 58 N -4.50 0.83 -0.45 4.19 8.00 -1.26 -5.01 116.55 118.35 1f55 n ASP 58 Ca 0.28 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.97 1f55 n ASP 58 Cb 1.12 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 42.40 1f55 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f55 n GLY 59 N 1.75 0.72 2.27 0.44 0.00 0.06 -4.98 105.19 105.45 1f55 n GLY 59 Ca -0.27 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 1f55 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f55 n ASN 60 N 0.16 6.40 -0.40 1.61 5.03 -1.26 -4.83 115.26 121.97 1f55 n ASN 60 Ca 0.00 -3.74 -0.05 0.00 0.87 0.00 0.00 54.58 51.66 1f55 n ASN 60 Cb 0.30 -0.92 -0.02 0.00 -1.02 0.00 0.00 39.78 38.12 1f55 n ASN 60 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1f55 n HIS 61 N -0.99 0.00 -3.62 3.10 8.25 -1.26 -4.86 115.22 115.84 1f55 n HIS 61 Ca 0.61 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 58.03 1f55 n HIS 61 Cb 0.97 -2.22 -0.01 0.00 1.12 0.00 0.00 29.99 29.85 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 -2.32 0.75 0.15 -0.41 -2.07 -1.26 -3.54 119.66 110.97 1f55 s GLN 62 Ca 0.00 -0.36 0.07 0.00 -1.82 0.00 0.00 55.36 53.25 1f55 s GLN 62 Cb 0.00 0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 32.17 1f55 s GLN 62 CO 0.00 -0.34 -0.15 0.96 -1.32 0.00 0.00 175.29 174.44 1f55 s ILE 63 N -2.89 1.56 0.43 3.63 -5.25 0.69 -4.65 121.20 114.72 1f55 s ILE 63 Ca 0.10 -1.90 0.08 0.00 -0.99 0.00 0.00 60.65 57.93 1f55 s ILE 63 Cb 0.00 -1.76 -0.00 0.00 2.95 0.00 0.00 42.46 43.65 1f55 s ILE 63 CO -0.04 -0.44 0.49 -1.61 -1.79 0.00 0.00 174.94 171.55 1f55 s GLU 64 N -2.98 2.67 0.00 0.37 2.02 -1.26 0.13 118.70 119.65 1f55 s GLU 64 Ca 0.14 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.73 1f55 s GLU 64 Cb -0.04 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.62 1f55 s GLU 64 CO 0.05 -0.27 0.84 0.34 0.02 0.00 0.00 175.26 176.24 1f55 n PHE 65 N -1.73 0.00 -0.26 1.61 7.35 -1.19 -1.18 117.46 122.06 1f55 n PHE 65 Ca 0.06 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 56.95 1f55 n PHE 65 Cb 0.60 -0.34 0.38 0.00 0.35 0.00 0.00 39.48 40.48 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 -2.04 0.14 -0.26 -2.13 2.88 -1.26 0.26 113.62 111.21 1f55 n SER 66 Ca 0.00 1.32 -0.05 0.00 -1.33 0.00 0.00 58.87 58.81 1f55 n SER 66 Cb 0.00 -0.58 0.06 0.00 -0.75 0.00 0.00 64.21 62.94 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 0.98 -0.36 -1.46 5.08 -1.48 -1.01 114.58 116.33 1f55 h GLU 67 Ca 0.60 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.87 1f55 h GLU 67 Cb 1.48 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1f55 h GLU 67 CO -0.66 0.70 0.23 0.35 -1.00 0.00 0.00 179.01 178.63 1f55 h PHE 68 N 0.99 0.46 -0.18 4.33 3.57 0.47 -1.13 116.94 125.46 1f55 h PHE 68 Ca 0.26 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.64 1f55 h PHE 68 Cb -0.04 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1f55 h PHE 68 CO -0.01 0.30 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.85 1f55 h LEU 69 N 0.49 0.48 -0.35 0.59 -0.00 -0.59 0.63 115.31 116.57 1f55 h LEU 69 Ca 0.13 -0.22 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1f55 h LEU 69 Cb -0.03 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.48 1f55 h LEU 69 CO -0.03 0.87 0.17 0.00 -0.00 0.00 0.00 178.44 179.45 1f55 h ALA 70 N 1.15 0.45 0.00 1.53 0.00 -0.32 0.93 119.26 123.01 1f55 h ALA 70 Ca 0.02 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1f55 h ALA 70 Cb 0.94 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1f55 h ALA 70 CO 0.08 0.01 -1.13 1.25 0.00 0.00 0.00 179.25 179.46 1f55 h LEU 71 N 0.43 0.00 0.00 0.00 7.12 -1.40 -3.37 115.31 118.08 1f55 h LEU 71 Ca 0.12 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.11 1f55 h LEU 71 Cb 0.11 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.24 1f55 h LEU 71 CO -0.02 0.75 -0.14 -0.03 -0.13 0.00 0.00 178.44 178.87 1f55 h MET 72 N 0.00 0.00 0.00 1.25 4.05 0.44 -3.46 114.93 117.22 1f55 h MET 72 Ca -0.11 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1f55 h MET 72 Cb 1.67 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.47 1f55 h MET 72 CO 0.08 0.39 0.00 0.45 0.23 0.00 0.00 176.91 178.06 1f55 n SER 73 N -4.68 0.00 0.01 1.39 2.88 0.32 -4.34 113.62 109.20 1f55 n SER 73 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1f55 n SER 73 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1f55 n SER 73 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1f55 n ARG 74 N 0.00 0.00 0.00 -1.46 3.00 -1.26 -4.97 116.66 111.96 1f55 n ARG 74 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1f55 n ARG 74 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1f55 n ARG 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1f55 n GLN 75 N -2.48 1.76 -3.18 -0.14 6.02 -1.26 -5.05 117.38 113.06 1f55 n GLN 75 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.80 1f55 n GLN 75 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 1f55 n GLN 75 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1f55 n LEU 76 N 0.00 0.99 0.00 1.08 -0.00 -1.26 -5.03 117.00 112.79 1f55 n LEU 76 Ca 0.00 -5.02 0.14 0.00 -0.00 0.00 0.00 56.01 51.13 1f55 n LEU 76 Cb 0.00 0.63 0.82 0.00 -0.00 0.00 0.00 43.42 44.86 1f55 n LEU 76 CO 0.00 2.27 0.99 1.17 -0.00 0.00 0.00 177.39 181.82