#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 -1.00 -3.04 4.04 2.88 -1.26 -5.10 113.62 110.14 1f55 n SER 2 Ca 0.00 -1.64 0.03 0.00 -1.33 0.00 0.00 58.87 55.93 1f55 n SER 2 Cb 0.00 0.76 -0.00 0.00 -0.75 0.00 0.00 64.21 64.22 1f55 n SER 2 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1f55 s ASN 3 N -0.33 -0.95 0.00 -3.46 2.20 -1.26 -5.14 114.94 106.01 1f55 s ASN 3 Ca 0.05 -0.26 0.00 0.00 -0.94 0.00 0.00 52.86 51.71 1f55 s ASN 3 Cb 0.11 1.34 0.00 0.00 -2.00 0.00 0.00 41.25 40.70 1f55 s ASN 3 CO -0.03 -0.13 0.00 0.00 -2.94 0.00 0.00 177.10 174.00 1f55 n LEU 4 N 4.47 0.00 0.00 3.54 -0.00 -1.26 -4.18 117.00 119.58 1f55 n LEU 4 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 1f55 n LEU 4 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1f55 n LEU 4 CO -0.08 0.00 0.00 0.35 -0.00 0.00 0.00 177.39 177.66 1f55 n THR 5 N 0.00 0.00 -0.58 1.47 -2.24 -1.26 0.11 114.28 111.77 1f55 n THR 5 Ca 0.00 0.00 0.47 0.00 -2.27 0.00 0.00 64.05 62.25 1f55 n THR 5 Cb 0.00 0.00 0.75 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.08 -0.78 4.11 -1.97 1.23 114.58 117.09 1f55 h GLU 6 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 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 -0.17 1.49 0.07 0.00 0.00 179.01 180.40 1f55 h GLU 7 N 0.00 0.25 -0.12 1.06 4.57 0.39 -1.30 114.58 119.44 1f55 h GLU 7 Ca 0.82 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 58.76 1f55 h GLU 7 Cb 3.50 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 32.11 1f55 h GLU 7 CO -0.01 0.76 -0.22 -0.56 -1.18 0.00 0.00 179.01 177.80 1f55 h GLN 8 N -0.22 0.36 0.21 1.92 3.07 0.18 -2.77 115.11 117.85 1f55 h GLN 8 Ca 0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 58.65 58.51 1f55 h GLN 8 Cb 0.76 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.32 1f55 h GLN 8 CO 0.04 0.82 -0.34 0.82 0.09 0.00 0.00 178.83 180.26 1f55 h ILE 9 N -0.06 0.00 -0.83 1.86 2.04 -0.56 0.46 117.51 120.42 1f55 h ILE 9 Ca 0.01 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.04 1f55 h ILE 9 Cb 0.80 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.73 1f55 h ILE 9 CO 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 178.15 178.06 1f55 h ALA 10 N -1.05 0.65 -0.84 1.87 0.00 -1.31 0.80 119.26 119.37 1f55 h ALA 10 Ca -0.02 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1f55 h ALA 10 Cb 0.54 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1f55 h ALA 10 CO -0.11 -0.42 0.49 1.49 0.00 0.00 0.00 179.25 180.69 1f55 h GLU 11 N 0.02 1.15 0.06 0.00 4.81 -1.06 -2.80 114.58 116.76 1f55 h GLU 11 Ca 0.42 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1f55 h GLU 11 Cb 0.69 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1f55 h GLU 11 CO -0.82 0.82 -0.03 0.74 -0.73 0.00 0.00 179.01 179.00 1f55 h PHE 12 N 1.16 -0.08 -0.80 0.92 0.04 0.51 -2.40 116.94 116.29 1f55 h PHE 12 Ca 0.30 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 61.18 1f55 h PHE 12 Cb -0.02 0.03 -0.13 0.00 2.20 0.00 0.00 35.95 38.03 1f55 h PHE 12 CO 0.00 0.16 -0.45 0.87 -0.60 0.00 0.00 178.31 178.30 1f55 h LYS 13 N -0.32 -0.10 -0.82 1.51 1.57 -0.01 1.71 116.57 120.12 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 -0.07 0.47 1.49 -0.57 0.00 0.00 179.45 180.79 1f55 h GLU 14 N -0.10 0.78 -0.01 3.15 4.81 -1.44 -2.08 114.58 119.69 1f55 h GLU 14 Ca 0.23 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1f55 h GLU 14 Cb 0.54 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1f55 h GLU 14 CO -0.84 0.52 -0.00 0.00 -0.73 0.00 0.00 179.01 177.96 1f55 h ALA 15 N 1.45 0.01 -0.24 2.92 0.00 0.12 -2.78 119.26 120.74 1f55 h ALA 15 Ca 0.39 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1f55 h ALA 15 Cb 0.34 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1f55 h ALA 15 CO -0.24 -0.33 -0.26 0.35 0.00 0.00 0.00 179.25 178.78 1f55 h PHE 16 N -0.31 -0.80 -0.84 0.00 3.57 0.28 0.14 116.94 118.97 1f55 h PHE 16 Ca 0.00 0.04 0.20 0.00 3.53 0.00 0.00 57.97 61.74 1f55 h PHE 16 Cb 0.33 0.38 -0.15 0.00 2.79 0.00 0.00 35.95 39.30 1f55 h PHE 16 CO 0.04 -0.21 -0.04 0.00 -2.23 0.00 0.00 178.31 175.86 1f55 h ALA 17 N -0.65 0.83 -0.97 2.41 0.00 -1.47 0.92 119.26 120.33 1f55 h ALA 17 Ca 0.04 0.29 0.30 0.00 0.00 0.00 0.00 54.91 55.54 1f55 h ALA 17 Cb 0.26 0.52 -0.15 0.00 0.00 0.00 0.00 17.79 18.42 1f55 h ALA 17 CO -0.30 -0.45 0.47 1.25 0.00 0.00 0.00 179.25 180.21 1f55 h LEU 18 N 0.06 0.36 -0.07 0.00 6.46 -0.45 0.23 115.31 121.90 1f55 h LEU 18 Ca 0.46 0.20 -0.03 0.00 -0.12 0.00 0.00 57.88 58.38 1f55 h LEU 18 Cb 0.83 0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.94 1f55 h LEU 18 CO -0.79 -0.15 -0.09 -0.26 -0.62 0.00 0.00 178.44 176.54 1f55 h PHE 19 N 0.29 0.23 -3.78 1.25 0.04 0.14 -3.44 116.94 111.67 1f55 h PHE 19 Ca 0.68 -0.07 -0.51 0.00 2.80 0.00 0.00 57.97 60.87 1f55 h PHE 19 Cb 1.52 -0.05 0.03 0.00 2.20 0.00 0.00 35.95 39.66 1f55 h PHE 19 CO -0.09 0.64 0.55 0.34 -0.60 0.00 0.00 178.31 179.16 1f55 s ASP 20 N -5.95 7.06 0.00 2.17 2.15 0.82 -3.76 116.67 119.17 1f55 s ASP 20 Ca -0.15 2.42 0.21 0.00 0.43 0.00 0.00 52.55 55.46 1f55 s ASP 20 Cb 0.03 -2.63 0.42 0.00 -0.30 0.00 0.00 42.92 40.44 1f55 s ASP 20 CO 0.72 -0.32 1.36 0.29 -0.17 0.00 0.00 175.17 177.05 1f55 n LYS 21 N 1.25 2.43 0.00 4.34 4.76 -1.26 -4.30 118.16 125.38 1f55 n LYS 21 Ca 0.00 -2.24 0.00 0.00 -2.87 0.00 0.00 58.31 53.20 1f55 n LYS 21 Cb 0.44 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 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 1.35 0.12 -1.82 4.39 8.00 -1.26 -5.00 116.55 122.32 1f55 n ASP 22 Ca 0.18 -0.35 -0.18 0.00 0.71 0.00 0.00 54.79 55.15 1f55 n ASP 22 Cb 0.57 0.72 -0.04 0.00 -0.02 0.00 0.00 41.12 42.35 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 -0.73 -5.27 -0.79 -2.24 5.03 -1.26 -4.84 115.26 105.16 1f55 n ASN 23 Ca 0.00 0.16 0.02 0.00 0.87 0.00 0.00 54.58 55.63 1f55 n ASN 23 Cb 0.00 -4.35 0.10 0.00 -1.02 0.00 0.00 39.78 34.51 1f55 n ASN 23 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1f55 n ASN 24 N -1.29 2.03 -0.34 6.41 5.03 -1.26 -4.80 115.26 121.05 1f55 n ASN 24 Ca -0.20 -2.20 -0.04 0.00 0.87 0.00 0.00 54.58 53.00 1f55 n ASN 24 Cb 0.64 -0.50 -0.02 0.00 -1.02 0.00 0.00 39.78 38.88 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 0.21 0.55 3.00 7.41 0.00 -1.26 -4.94 105.19 110.16 1f55 n GLY 25 Ca 0.07 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.25 -0.01 -0.12 1.61 0.15 -1.26 -3.02 113.70 108.81 1f55 s SER 26 Ca 0.00 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.66 1f55 s SER 26 Cb 0.00 0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.50 1f55 s SER 26 CO 0.00 -0.15 -0.20 -0.63 1.20 0.00 0.00 173.24 173.46 1f55 s ILE 27 N -0.52 1.82 0.00 6.45 1.01 0.17 -4.79 121.20 125.34 1f55 s ILE 27 Ca -0.06 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1f55 s ILE 27 Cb -0.04 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.81 1f55 s ILE 27 CO 0.00 0.51 0.00 -1.20 0.00 0.00 0.00 174.94 174.25 1f55 n SER 28 N 3.98 0.00 0.31 3.58 7.64 -1.26 -1.02 113.62 126.85 1f55 n SER 28 Ca -0.20 -0.87 -0.12 0.00 1.01 0.00 0.00 58.87 58.69 1f55 n SER 28 Cb 0.52 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.66 1f55 n SER 28 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1f55 h SER 29 N 0.00 -0.67 -0.64 6.43 4.64 -1.89 -2.75 113.55 118.66 1f55 h SER 29 Ca 0.00 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1f55 h SER 29 Cb 0.00 0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1f55 h SER 29 CO 0.00 -0.47 0.38 0.28 -0.87 0.00 0.00 176.83 176.15 1f55 h SER 30 N -0.81 0.78 -0.37 4.97 0.02 -1.93 -2.41 113.55 113.79 1f55 h SER 30 Ca -0.08 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1f55 h SER 30 Cb 0.61 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.90 1f55 h SER 30 CO 0.13 0.61 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.81 1f55 h GLU 31 N 0.87 -0.10 -0.60 3.45 5.08 -1.83 1.28 114.58 122.73 1f55 h GLU 31 Ca 0.23 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1f55 h GLU 31 Cb -0.01 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1f55 h GLU 31 CO -0.04 -0.07 0.40 1.25 -1.00 0.00 0.00 179.01 179.55 1f55 h LEU 32 N -0.10 0.61 -0.08 1.33 6.46 -1.44 0.62 115.31 122.71 1f55 h LEU 32 Ca 0.06 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1f55 h LEU 32 Cb 0.26 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1f55 h LEU 32 CO -0.40 0.42 0.00 0.00 -0.62 0.00 0.00 178.44 177.84 1f55 n ALA 33 N -2.46 2.02 0.23 1.25 0.00 0.75 -3.01 120.51 119.29 1f55 n ALA 33 Ca 0.07 -0.05 0.03 0.00 0.00 0.00 0.00 53.44 53.49 1f55 n ALA 33 Cb 0.13 -1.38 0.14 0.00 0.00 0.00 0.00 19.45 18.34 1f55 n ALA 33 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1f55 n THR 34 N -1.70 1.54 0.01 0.00 -1.04 0.41 -2.69 114.28 110.80 1f55 n THR 34 Ca 0.05 0.39 -0.13 0.00 -2.04 0.00 0.00 64.05 62.32 1f55 n THR 34 Cb 0.28 -1.27 -0.09 0.00 -1.82 0.00 0.00 70.33 67.43 1f55 n THR 34 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1f55 h VAL 35 N 0.00 1.26 -0.63 12.58 2.07 -1.69 -2.70 116.25 127.14 1f55 h VAL 35 Ca 0.00 -0.83 0.18 0.00 0.82 0.00 0.00 66.70 66.87 1f55 h VAL 35 Cb 0.11 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1f55 h VAL 35 CO 0.00 0.21 0.82 0.24 0.02 0.00 0.00 177.57 178.87 1f55 h MET 36 N -0.37 0.00 -0.73 1.57 2.86 -1.77 0.38 114.93 116.87 1f55 h MET 36 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1f55 h MET 36 Cb 0.36 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1f55 h MET 36 CO 0.00 0.00 0.35 -0.09 1.06 0.00 0.00 176.91 178.24 1f55 h ARG 37 N 0.00 1.06 -1.63 1.72 2.43 -1.63 0.81 114.38 117.14 1f55 h ARG 37 Ca 0.30 -0.16 0.47 0.00 -0.81 0.00 0.00 59.98 59.79 1f55 h ARG 37 Cb 1.94 -0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 31.24 1f55 h ARG 37 CO -0.00 0.83 1.18 0.77 -1.51 0.00 0.00 179.97 181.24 1f55 h SER 38 N 1.03 0.00 0.00 -3.80 0.02 -0.37 -3.35 113.55 107.08 1f55 h SER 38 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1f55 h SER 38 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1f55 h SER 38 CO -0.03 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.84 1f55 n LEU 39 N -4.02 0.12 -3.87 5.07 4.32 -0.85 -5.04 117.00 112.74 1f55 n LEU 39 Ca 0.36 0.15 -0.30 0.00 -0.02 0.00 0.00 56.01 56.19 1f55 n LEU 39 Cb 1.69 0.05 -0.15 0.00 -1.62 0.00 0.00 43.42 43.39 1f55 n LEU 39 CO 0.42 -0.61 -0.34 -0.83 -1.22 0.00 0.00 177.39 174.81 1f55 s GLY 40 N -4.01 1.45 -0.88 -0.72 0.00 0.27 -5.05 107.32 98.38 1f55 s GLY 40 Ca 0.00 -2.00 -0.25 0.00 0.00 0.00 0.00 44.72 42.47 1f55 s GLY 40 CO 0.00 1.28 2.08 -2.27 0.00 0.00 0.00 173.10 174.19 1f55 s LEU 41 N 1.30 3.07 -0.41 0.66 2.96 -0.71 -4.11 118.68 121.45 1f55 s LEU 41 Ca 0.09 -0.50 0.09 0.00 -0.22 0.00 0.00 54.13 53.59 1f55 s LEU 41 Cb -0.18 -2.56 0.38 0.00 0.50 0.00 0.00 46.19 44.33 1f55 s LEU 41 CO -0.17 -3.08 1.30 -1.54 -1.32 0.00 0.00 176.35 171.54 1f55 n SER 42 N 15.34 -1.87 0.25 3.68 3.41 -1.26 -4.92 113.62 128.24 1f55 n SER 42 Ca 0.42 -2.70 0.14 0.00 -0.26 0.00 0.00 58.87 56.47 1f55 n SER 42 Cb 0.46 1.13 0.50 0.00 -0.26 0.00 0.00 64.21 66.04 1f55 n SER 42 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1f55 h PRO 43 N 2.22 0.00 -4.20 4.33 0.13 -1.84 -3.49 132.00 129.15 1f55 h PRO 43 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1f55 h PRO 43 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1f55 h PRO 43 CO -0.01 0.07 -0.88 0.43 -0.23 0.00 0.00 178.00 177.37 1f55 n SER 44 N -3.16 -8.54 -0.36 1.44 7.64 -1.26 -2.80 113.62 106.58 1f55 n SER 44 Ca 0.01 1.37 -0.03 0.00 1.01 0.00 0.00 58.87 61.23 1f55 n SER 44 Cb 0.40 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.73 1f55 n SER 44 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1f55 n GLU 45 N 0.97 -0.27 -0.04 1.43 4.07 -1.26 0.39 120.64 125.94 1f55 n GLU 45 Ca 0.00 1.40 -0.02 0.00 -0.06 0.00 0.00 57.16 58.49 1f55 n GLU 45 Cb 0.00 -2.08 -0.01 0.00 -0.06 0.00 0.00 31.44 29.29 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 1.04 -0.19 -0.68 4.31 0.00 -1.99 0.64 119.26 122.40 1f55 h ALA 46 Ca 0.27 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1f55 h ALA 46 Cb 0.50 0.93 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1f55 h ALA 46 CO -0.90 -0.23 0.38 1.49 0.00 0.00 0.00 179.25 179.99 1f55 h GLU 47 N -0.02 0.68 0.00 0.00 4.57 -1.28 0.40 114.58 118.93 1f55 h GLU 47 Ca 0.02 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1f55 h GLU 47 Cb 0.06 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1f55 h GLU 47 CO -0.10 0.45 0.00 0.28 -1.18 0.00 0.00 179.01 178.46 1f55 n VAL 48 N -4.78 0.00 -0.35 0.32 0.31 0.16 -0.13 118.33 113.86 1f55 n VAL 48 Ca 0.09 1.33 0.07 0.00 -0.01 0.00 0.00 64.34 65.82 1f55 n VAL 48 Cb 0.18 -2.11 0.23 0.00 -0.91 0.00 0.00 33.84 31.24 1f55 n VAL 48 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1f55 h ASN 49 N 0.00 0.85 -0.97 4.52 -1.24 0.25 -0.12 115.58 118.87 1f55 h ASN 49 Ca 0.00 0.06 0.12 0.00 0.71 0.00 0.00 56.30 57.18 1f55 h ASN 49 Cb 0.00 -0.11 -0.08 0.00 0.73 0.00 0.00 38.32 38.86 1f55 h ASN 49 CO 0.00 0.44 0.62 -0.78 -1.29 0.00 0.00 177.43 176.42 1f55 h ASP 50 N 0.92 0.87 0.45 1.15 3.58 0.24 0.50 116.42 124.14 1f55 h ASP 50 Ca 0.49 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.96 1f55 h ASP 50 Cb 0.52 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.44 1f55 h ASP 50 CO -0.28 0.47 -0.22 0.25 -2.88 0.00 0.00 179.24 176.59 1f55 h LEU 51 N 0.94 -0.52 0.13 2.28 5.85 0.14 0.23 115.31 124.37 1f55 h LEU 51 Ca 0.47 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.12 1f55 h LEU 51 Cb 0.50 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1f55 h LEU 51 CO -0.24 -0.14 -0.37 -0.03 -0.34 0.00 0.00 178.44 177.32 1f55 h MET 52 N -0.96 -0.59 -0.53 1.25 1.85 -1.13 -1.73 114.93 113.09 1f55 h MET 52 Ca -0.06 0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.11 1f55 h MET 52 Cb 0.58 0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.70 1f55 h MET 52 CO 0.10 -0.39 0.29 -0.97 -0.40 0.00 0.00 176.91 175.54 1f55 h ASN 53 N -0.61 0.44 -0.88 1.39 -0.73 -0.97 1.42 115.58 115.64 1f55 h ASN 53 Ca 0.02 0.02 0.23 0.00 1.87 0.00 0.00 56.30 58.44 1f55 h ASN 53 Cb 0.64 -0.07 -0.05 0.00 0.27 0.00 0.00 38.32 39.11 1f55 h ASN 53 CO -0.21 0.30 0.61 -0.08 -0.37 0.00 0.00 177.43 177.68 1f55 h GLU 54 N 0.57 0.21 0.00 6.67 4.57 0.09 0.57 114.58 127.25 1f55 h GLU 54 Ca 0.23 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1f55 h GLU 54 Cb 0.10 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1f55 h GLU 54 CO -0.14 0.14 -0.76 -0.89 -1.18 0.00 0.00 179.01 176.17 1f55 n ILE 55 N -4.41 0.00 -2.02 2.32 5.41 -0.37 -4.85 119.36 115.44 1f55 n ILE 55 Ca 0.19 -0.13 -0.26 0.00 1.00 0.00 0.00 62.75 63.54 1f55 n ILE 55 Cb 0.81 0.98 -0.05 0.00 -0.71 0.00 0.00 39.64 40.67 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 -2.52 5.07 0.43 4.38 -1.08 0.47 -4.65 116.67 118.78 1f55 s ASP 56 Ca 0.06 -0.64 0.09 0.00 -0.52 0.00 0.00 52.55 51.54 1f55 s ASP 56 Cb 0.12 -2.56 0.94 0.00 -1.46 0.00 0.00 42.92 39.96 1f55 s ASP 56 CO 0.65 -2.81 2.06 -0.37 0.52 0.00 0.00 175.17 175.22 1f55 h VAL 57 N 7.28 1.06 0.04 1.11 -1.51 -1.87 -2.71 116.25 119.65 1f55 h VAL 57 Ca 0.09 -0.16 -0.33 0.00 -1.23 0.00 0.00 66.70 65.08 1f55 h VAL 57 Cb 1.00 0.56 -0.04 0.00 -2.13 0.00 0.00 31.29 30.68 1f55 h VAL 57 CO 1.20 0.08 -1.91 -0.90 -1.23 0.00 0.00 177.57 174.81 1f55 n ASP 58 N -4.48 1.21 -0.78 4.19 5.75 -1.26 -5.02 116.55 116.16 1f55 n ASP 58 Ca 0.03 0.28 0.00 0.00 -0.01 0.00 0.00 54.79 55.09 1f55 n ASP 58 Cb 0.11 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 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 1.75 0.70 0.91 6.12 0.00 -1.02 -5.01 105.19 108.64 1f55 n GLY 59 Ca -0.25 -0.40 -0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.78 2.29 0.00 1.61 6.94 -1.26 -4.91 115.26 119.14 1f55 n ASN 60 Ca 0.00 -3.86 0.00 0.00 -0.02 0.00 0.00 54.58 50.70 1f55 n ASN 60 Cb 0.31 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.18 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 -1.08 0.00 -3.66 -2.53 8.25 -1.26 -4.92 115.22 110.03 1f55 n HIS 61 Ca 0.26 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.59 1f55 n HIS 61 Cb 0.81 -1.27 -0.06 0.00 1.12 0.00 0.00 29.99 30.59 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 -1.16 0.94 0.15 -0.41 -0.21 -1.26 -3.22 119.66 114.49 1f55 s GLN 62 Ca 0.00 -0.36 0.08 0.00 0.02 0.00 0.00 55.36 55.10 1f55 s GLN 62 Cb 0.00 0.42 -0.04 0.00 1.00 0.00 0.00 33.01 34.39 1f55 s GLN 62 CO 0.00 -0.32 -0.18 0.96 -2.12 0.00 0.00 175.29 173.63 1f55 s ILE 63 N -2.52 1.72 0.35 1.08 -5.25 -0.19 -4.72 121.20 111.67 1f55 s ILE 63 Ca -0.05 -1.86 0.07 0.00 -0.99 0.00 0.00 60.65 57.82 1f55 s ILE 63 Cb -0.01 -1.77 -0.02 0.00 2.95 0.00 0.00 42.46 43.61 1f55 s ILE 63 CO -0.03 -0.32 0.34 -1.61 -1.79 0.00 0.00 174.94 171.53 1f55 s GLU 64 N -2.73 2.76 0.00 0.37 2.02 -1.26 0.42 118.70 120.28 1f55 s GLU 64 Ca 0.14 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.84 1f55 s GLU 64 Cb -0.06 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.65 1f55 s GLU 64 CO 0.06 0.04 0.88 0.34 0.02 0.00 0.00 175.26 176.60 1f55 n PHE 65 N -1.45 0.00 -0.24 1.61 7.35 -1.17 -0.57 117.46 122.99 1f55 n PHE 65 Ca -0.01 0.00 0.23 0.00 -0.76 0.00 0.00 57.45 56.91 1f55 n PHE 65 Cb 0.60 -0.38 0.42 0.00 0.35 0.00 0.00 39.48 40.47 1f55 n PHE 65 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1f55 n SER 66 N -2.33 0.23 -0.13 -2.13 7.64 -1.26 0.26 113.62 115.91 1f55 n SER 66 Ca 0.00 1.24 -0.11 0.00 1.01 0.00 0.00 58.87 61.01 1f55 n SER 66 Cb 0.00 -0.59 -0.02 0.00 -1.01 0.00 0.00 64.21 62.59 1f55 n SER 66 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1f55 h GLU 67 N 0.00 0.65 -0.51 1.43 5.08 -1.16 -2.07 114.58 118.00 1f55 h GLU 67 Ca 0.62 -0.21 0.12 0.00 -1.00 0.00 0.00 59.36 58.89 1f55 h GLU 67 Cb 1.62 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.78 1f55 h GLU 67 CO -0.58 0.76 0.36 0.35 -1.00 0.00 0.00 179.01 178.89 1f55 h PHE 68 N 0.47 0.15 -0.10 4.33 3.57 0.50 0.83 116.94 126.68 1f55 h PHE 68 Ca 0.10 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.42 1f55 h PHE 68 Cb 0.46 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1f55 h PHE 68 CO 0.04 0.06 -0.73 -0.07 -2.23 0.00 0.00 178.31 175.38 1f55 h LEU 69 N 0.13 0.59 -0.41 0.59 -0.00 -0.72 0.35 115.31 115.86 1f55 h LEU 69 Ca 0.24 -0.39 0.01 0.00 -0.00 0.00 0.00 57.88 57.74 1f55 h LEU 69 Cb 0.78 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 1f55 h LEU 69 CO -0.03 1.14 0.26 0.00 -0.00 0.00 0.00 178.44 179.81 1f55 h ALA 70 N 0.85 0.52 0.12 1.53 0.00 -0.27 -0.78 119.26 121.22 1f55 h ALA 70 Ca -0.03 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.60 1f55 h ALA 70 Cb 1.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1f55 h ALA 70 CO 0.13 -0.05 -1.32 1.25 0.00 0.00 0.00 179.25 179.26 1f55 h LEU 71 N 0.52 0.39 0.00 0.00 7.12 -1.48 -3.40 115.31 118.47 1f55 h LEU 71 Ca 0.16 -0.87 0.00 0.00 0.13 0.00 0.00 57.88 57.30 1f55 h LEU 71 Cb -0.03 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 39.97 1f55 h LEU 71 CO -0.05 1.58 0.00 0.80 -0.13 0.00 0.00 178.44 180.64 1f55 n MET 72 N -3.96 0.00 0.00 1.25 1.56 0.12 -4.46 117.12 111.63 1f55 n MET 72 Ca -0.23 0.52 0.00 0.00 -0.27 0.00 0.00 57.70 57.72 1f55 n MET 72 Cb 0.89 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.76 1f55 n MET 72 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1f55 n SER 73 N -2.05 -0.07 -4.65 6.12 3.41 -0.30 -4.65 113.62 111.43 1f55 n SER 73 Ca 0.00 0.00 -0.61 0.00 -0.26 0.00 0.00 58.87 58.00 1f55 n SER 73 Cb 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 1f55 n SER 73 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1f55 n ARG 74 N -0.07 0.45 0.02 4.33 3.00 -1.26 -4.87 116.66 118.25 1f55 n ARG 74 Ca 0.00 0.16 -0.03 0.00 -0.00 0.00 0.00 57.85 57.99 1f55 n ARG 74 Cb 0.00 -1.73 -0.01 0.00 0.00 0.00 0.00 32.46 30.72 1f55 n ARG 74 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1f55 h GLN 75 N 4.92 -0.15 -6.53 -0.14 5.75 -1.78 -3.44 115.11 113.75 1f55 h GLN 75 Ca -0.47 0.01 -0.41 0.00 -0.15 0.00 0.00 58.65 57.63 1f55 h GLN 75 Cb 1.37 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.96 1f55 h GLN 75 CO 0.86 -0.08 -0.98 -0.11 -2.65 0.00 0.00 178.83 175.87 1f55 n LEU 76 N -4.88 -2.71 0.00 -2.39 -0.00 -1.26 -4.94 117.00 100.82 1f55 n LEU 76 Ca -0.02 -0.69 0.00 0.00 -0.00 0.00 0.00 56.01 55.30 1f55 n LEU 76 Cb 0.07 -1.86 0.00 0.00 -0.00 0.00 0.00 43.42 41.63 1f55 n LEU 76 CO 0.05 0.07 0.00 1.17 -0.00 0.00 0.00 177.39 178.69