#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f55 s SER 2 N 0.00 -0.09 0.00 6.43 0.15 -1.26 -5.09 113.70 113.84 1f55 s SER 2 Ca 0.00 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1f55 s SER 2 Cb 0.00 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1f55 s SER 2 CO 0.00 -0.26 0.00 0.59 1.20 0.00 0.00 173.24 174.77 1f55 n ASN 3 N -0.28 0.00 0.00 5.45 4.13 -1.26 -5.08 115.26 118.22 1f55 n ASN 3 Ca -0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.22 1f55 n ASN 3 Cb 0.60 0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.90 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 -1.87 0.00 0.00 3.41 4.77 -1.26 -3.78 117.00 118.27 1f55 n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1f55 n LEU 4 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1f55 n LEU 4 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.41 1f55 n THR 5 N 0.00 0.00 -0.45 -5.08 -2.24 -1.26 -0.48 114.28 104.77 1f55 n THR 5 Ca 0.00 0.00 0.37 0.00 -2.27 0.00 0.00 64.05 62.15 1f55 n THR 5 Cb 0.00 0.00 0.67 0.00 -2.10 0.00 0.00 70.33 68.90 1f55 n THR 5 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1f55 h GLU 6 N 0.00 0.10 -0.06 -0.78 5.08 -1.96 1.12 114.58 118.08 1f55 h GLU 6 Ca 0.00 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1f55 h GLU 6 Cb 0.00 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1f55 h GLU 6 CO 0.00 0.07 -0.07 1.49 -1.00 0.00 0.00 179.01 179.50 1f55 h GLU 7 N 0.11 -0.09 -0.05 2.33 4.81 -1.03 0.96 114.58 121.62 1f55 h GLU 7 Ca 0.77 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.98 1f55 h GLU 7 Cb 2.57 0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.97 1f55 h GLU 7 CO -0.29 -0.06 -0.10 -0.56 -0.73 0.00 0.00 179.01 177.27 1f55 h GLN 8 N -0.09 0.16 0.11 1.92 3.07 0.14 -2.68 115.11 117.73 1f55 h GLN 8 Ca 0.05 -0.10 -0.00 0.00 0.09 0.00 0.00 58.65 58.68 1f55 h GLN 8 Cb 0.16 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.73 1f55 h GLN 8 CO -0.11 0.70 -0.12 0.82 0.09 0.00 0.00 178.83 180.20 1f55 h ILE 9 N -0.36 0.00 -0.96 1.86 2.04 0.02 0.45 117.51 120.56 1f55 h ILE 9 Ca 0.00 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.09 1f55 h ILE 9 Cb 0.69 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.60 1f55 h ILE 9 CO 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 178.09 1f55 h ALA 10 N -1.52 0.92 -0.67 1.87 0.00 0.84 1.19 119.26 121.89 1f55 h ALA 10 Ca -0.01 0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1f55 h ALA 10 Cb 0.21 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1f55 h ALA 10 CO -0.02 -0.48 0.36 0.93 0.00 0.00 0.00 179.25 180.03 1f55 h GLU 11 N 0.01 0.94 0.12 0.00 4.39 -1.07 -2.83 114.58 116.15 1f55 h GLU 11 Ca 0.53 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 60.11 1f55 h GLU 11 Cb 0.97 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1f55 h GLU 11 CO -0.93 0.72 -0.06 0.74 -1.16 0.00 0.00 179.01 178.32 1f55 h PHE 12 N 0.92 -0.15 -0.89 4.33 0.04 0.60 -2.67 116.94 119.11 1f55 h PHE 12 Ca 0.23 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.15 1f55 h PHE 12 Cb 0.06 0.05 -0.15 0.00 2.20 0.00 0.00 35.95 38.11 1f55 h PHE 12 CO -0.00 0.06 -0.36 0.87 -0.60 0.00 0.00 178.31 178.28 1f55 h LYS 13 N -0.35 -0.04 -0.59 1.51 1.57 -0.10 1.26 116.57 119.83 1f55 h LYS 13 Ca -0.02 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1f55 h LYS 13 Cb 0.29 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.54 1f55 h LYS 13 CO 0.03 -0.03 0.24 1.49 -0.57 0.00 0.00 179.45 180.61 1f55 h GLU 14 N -0.04 0.43 -0.13 3.15 4.57 -1.38 -1.77 114.58 119.42 1f55 h GLU 14 Ca 0.33 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.47 1f55 h GLU 14 Cb 0.59 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1f55 h GLU 14 CO -0.91 0.29 0.03 0.00 -1.18 0.00 0.00 179.01 177.24 1f55 h ALA 15 N 1.38 0.17 -0.51 2.92 0.00 0.12 -2.80 119.26 120.54 1f55 h ALA 15 Ca 0.29 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1f55 h ALA 15 Cb 0.31 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.96 1f55 h ALA 15 CO -0.26 -0.20 -0.48 0.35 0.00 0.00 0.00 179.25 178.65 1f55 h PHE 16 N 0.02 -1.45 -0.63 0.00 3.57 0.19 0.18 116.94 118.82 1f55 h PHE 16 Ca 0.04 0.08 0.13 0.00 3.53 0.00 0.00 57.97 61.75 1f55 h PHE 16 Cb 0.25 0.70 -0.11 0.00 2.79 0.00 0.00 35.95 39.58 1f55 h PHE 16 CO 0.01 -0.45 -0.05 0.00 -2.23 0.00 0.00 178.31 175.58 1f55 h ALA 17 N 0.35 0.55 -0.91 2.41 0.00 -1.28 0.60 119.26 120.99 1f55 h ALA 17 Ca 0.14 0.21 0.20 0.00 0.00 0.00 0.00 54.91 55.45 1f55 h ALA 17 Cb 0.57 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1f55 h ALA 17 CO -0.65 -0.41 0.60 1.25 0.00 0.00 0.00 179.25 180.04 1f55 h LEU 18 N 0.07 0.46 0.05 0.00 6.46 -0.42 0.76 115.31 122.70 1f55 h LEU 18 Ca 0.32 0.05 -0.19 0.00 -0.12 0.00 0.00 57.88 57.94 1f55 h LEU 18 Cb 0.52 -0.04 0.02 0.00 -0.73 0.00 0.00 40.66 40.43 1f55 h LEU 18 CO -0.58 0.19 -0.78 -0.26 -0.62 0.00 0.00 178.44 176.40 1f55 h PHE 19 N 0.46 0.68 0.00 1.25 -1.00 0.12 -3.16 116.94 115.30 1f55 h PHE 19 Ca 0.48 -0.41 0.00 0.00 2.81 0.00 0.00 57.97 60.85 1f55 h PHE 19 Cb 1.11 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.61 1f55 h PHE 19 CO -0.00 1.25 0.00 0.22 -1.61 0.00 0.00 178.31 178.17 1f55 h ASP 20 N -0.08 0.00 -6.95 2.17 3.58 0.64 -1.53 116.42 114.25 1f55 h ASP 20 Ca -0.11 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.74 1f55 h ASP 20 Cb 1.50 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.42 1f55 h ASP 20 CO 0.15 0.00 -0.97 0.29 -2.88 0.00 0.00 179.24 175.83 1f55 n LYS 21 N -2.96 -1.04 0.00 0.28 4.76 0.11 -4.45 118.16 114.86 1f55 n LYS 21 Ca -0.01 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1f55 n LYS 21 Cb 0.16 -3.43 0.00 0.00 -1.84 0.00 0.00 35.03 29.92 1f55 n LYS 21 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1f55 n ASP 22 N -2.70 0.00 -0.52 4.39 2.03 -1.26 -4.96 116.55 113.53 1f55 n ASP 22 Ca -0.26 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 54.98 1f55 n ASP 22 Cb 0.66 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.03 1f55 n ASP 22 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1f55 n ASN 23 N 0.00 -4.10 -0.12 1.67 5.03 -1.26 -4.86 115.26 111.61 1f55 n ASN 23 Ca 0.00 0.17 0.01 0.00 0.87 0.00 0.00 54.58 55.62 1f55 n ASN 23 Cb 0.00 -2.20 0.02 0.00 -1.02 0.00 0.00 39.78 36.58 1f55 n ASN 23 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1f55 n ASN 24 N 0.35 0.34 -1.18 6.41 4.05 -1.26 -4.83 115.26 119.14 1f55 n ASN 24 Ca -0.07 -2.00 -0.13 0.00 0.45 0.00 0.00 54.58 52.83 1f55 n ASN 24 Cb 0.27 -0.06 -0.04 0.00 1.23 0.00 0.00 39.78 41.18 1f55 n ASN 24 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1f55 n GLY 25 N 0.55 0.76 3.47 8.20 0.00 -1.26 -4.98 105.19 111.93 1f55 n GLY 25 Ca 0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.69 -0.64 -0.23 1.61 0.15 -1.26 -4.22 113.70 106.42 1f55 s SER 26 Ca 0.00 1.17 -0.08 0.00 0.70 0.00 0.00 55.95 57.74 1f55 s SER 26 Cb 0.00 1.14 -0.04 0.00 -1.71 0.00 0.00 66.02 65.41 1f55 s SER 26 CO 0.00 -0.20 0.10 -0.63 1.20 0.00 0.00 173.24 173.70 1f55 s ILE 27 N 0.67 4.73 0.22 6.45 1.01 0.13 -4.64 121.20 129.77 1f55 s ILE 27 Ca -0.03 -0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.64 1f55 s ILE 27 Cb -0.05 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1f55 s ILE 27 CO -0.04 0.36 0.20 -0.94 0.00 0.00 0.00 174.94 174.52 1f55 s SER 28 N 1.21 5.67 0.34 3.58 1.04 -1.26 -1.68 113.70 122.59 1f55 s SER 28 Ca 0.05 -0.15 0.13 0.00 0.48 0.00 0.00 55.95 56.47 1f55 s SER 28 Cb -0.14 -1.50 1.07 0.00 0.10 0.00 0.00 66.02 65.54 1f55 s SER 28 CO 0.04 -0.00 1.63 0.28 0.98 0.00 0.00 173.24 176.16 1f55 h SER 29 N 1.76 0.27 -0.25 7.02 0.02 -1.85 0.63 113.55 121.14 1f55 h SER 29 Ca -0.49 0.22 -0.17 0.00 -0.84 0.00 0.00 61.79 60.51 1f55 h SER 29 Cb 1.22 0.24 -0.00 0.00 0.14 0.00 0.00 62.40 64.00 1f55 h SER 29 CO 0.62 -0.25 -0.51 0.28 -1.14 0.00 0.00 176.83 175.83 1f55 h SER 30 N 0.17 0.92 0.04 3.07 0.02 -1.93 -1.91 113.55 113.93 1f55 h SER 30 Ca 0.73 -0.47 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1f55 h SER 30 Cb 1.71 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1f55 h SER 30 CO -0.70 1.25 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.90 1f55 h GLU 31 N 0.65 -0.05 -0.95 3.45 5.08 -0.04 -1.75 114.58 120.97 1f55 h GLU 31 Ca 0.03 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.64 1f55 h GLU 31 Cb 1.10 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.30 1f55 h GLU 31 CO 0.11 -0.03 0.66 1.25 -1.00 0.00 0.00 179.01 180.00 1f55 h LEU 32 N -0.07 0.19 -1.14 1.33 6.46 -0.14 0.48 115.31 122.42 1f55 h LEU 32 Ca -0.01 0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.69 1f55 h LEU 32 Cb 0.04 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 1f55 h LEU 32 CO 0.01 0.06 -0.42 0.00 -0.62 0.00 0.00 178.44 177.47 1f55 h ALA 33 N 1.56 1.25 0.00 1.25 0.00 -1.29 -2.48 119.26 119.56 1f55 h ALA 33 Ca 0.48 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1f55 h ALA 33 Cb 1.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1f55 h ALA 33 CO -0.10 0.53 0.00 2.41 0.00 0.00 0.00 179.25 182.08 1f55 n THR 34 N -3.96 1.03 0.06 0.00 -1.04 0.17 -2.74 114.28 107.80 1f55 n THR 34 Ca -0.02 0.70 -0.12 0.00 -2.04 0.00 0.00 64.05 62.58 1f55 n THR 34 Cb 0.46 -1.70 -0.05 0.00 -1.82 0.00 0.00 70.33 67.22 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 0.34 -1.53 12.58 2.07 -1.51 0.43 116.25 128.62 1f55 h VAL 35 Ca 0.00 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.96 1f55 h VAL 35 Cb 0.03 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 1f55 h VAL 35 CO 0.00 0.00 1.14 0.24 0.02 0.00 0.00 177.57 178.97 1f55 h MET 36 N -0.45 0.00 -0.64 1.57 2.86 -1.75 0.41 114.93 116.92 1f55 h MET 36 Ca 0.06 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.89 1f55 h MET 36 Cb 0.53 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.17 1f55 h MET 36 CO -0.25 0.00 0.78 -0.09 1.06 0.00 0.00 176.91 178.41 1f55 h ARG 37 N 0.00 0.00 0.00 1.72 2.43 -1.10 1.87 114.38 119.30 1f55 h ARG 37 Ca 0.73 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.89 1f55 h ARG 37 Cb 2.99 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 32.54 1f55 h ARG 37 CO -0.01 0.00 -0.22 1.03 -1.51 0.00 0.00 179.97 179.26 1f55 h SER 38 N 0.00 0.00 -0.17 -3.80 0.87 -0.34 -3.36 113.55 106.75 1f55 h SER 38 Ca 0.31 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.66 1f55 h SER 38 Cb 1.85 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 63.43 1f55 h SER 38 CO -0.00 0.05 -1.06 0.18 -0.53 0.00 0.00 176.83 175.47 1f55 n LEU 39 N -3.04 1.30 0.00 2.23 4.77 0.56 -5.02 117.00 117.81 1f55 n LEU 39 Ca 0.03 -2.46 0.00 0.00 -0.03 0.00 0.00 56.01 53.55 1f55 n LEU 39 Cb 0.55 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1f55 n LEU 39 CO 0.36 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.77 1f55 n GLY 40 N 0.03 0.56 3.55 -0.72 0.00 0.27 -4.94 105.19 103.94 1f55 n GLY 40 Ca 0.07 -0.68 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 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 1.75 -2.70 0.99 7.94 -0.93 -4.41 117.00 119.64 1f55 n LEU 41 Ca 0.00 -1.09 -0.07 0.00 -1.11 0.00 0.00 56.01 53.74 1f55 n LEU 41 Cb 0.00 -1.56 0.11 0.00 0.53 0.00 0.00 43.42 42.50 1f55 n LEU 41 CO 0.00 -2.19 0.52 -0.24 -1.11 0.00 0.00 177.39 174.36 1f55 n SER 42 N 16.95 -1.86 0.02 1.96 2.88 -1.26 -4.89 113.62 127.41 1f55 n SER 42 Ca 0.46 -2.43 -0.19 0.00 -1.33 0.00 0.00 58.87 55.38 1f55 n SER 42 Cb 0.44 1.04 -0.10 0.00 -0.75 0.00 0.00 64.21 64.85 1f55 n SER 42 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1f55 h PRO 43 N 1.96 0.67 -2.12 -1.46 0.13 -1.85 -3.50 132.00 125.84 1f55 h PRO 43 Ca -0.30 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 64.16 1f55 h PRO 43 Cb 1.29 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.60 1f55 h PRO 43 CO -0.08 1.26 -0.54 0.43 -0.23 0.00 0.00 178.00 178.85 1f55 n SER 44 N -3.95 -5.07 -0.26 1.44 7.64 -1.26 -2.61 113.62 109.55 1f55 n SER 44 Ca -0.10 0.89 0.09 0.00 1.01 0.00 0.00 58.87 60.76 1f55 n SER 44 Cb 0.80 -2.39 0.18 0.00 -1.01 0.00 0.00 64.21 61.79 1f55 n SER 44 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1f55 n GLU 45 N -1.55 -0.06 -0.24 1.43 0.28 -1.26 0.13 120.64 119.36 1f55 n GLU 45 Ca 0.00 1.12 0.00 0.00 -0.16 0.00 0.00 57.16 58.13 1f55 n GLU 45 Cb 0.14 -1.75 0.08 0.00 1.43 0.00 0.00 31.44 31.34 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 1.48 0.45 0.21 -1.84 0.00 -1.98 0.82 119.26 118.39 1f55 h ALA 46 Ca 0.42 0.27 -0.30 0.00 0.00 0.00 0.00 54.91 55.30 1f55 h ALA 46 Cb 0.80 0.55 0.03 0.00 0.00 0.00 0.00 17.79 19.17 1f55 h ALA 46 CO -0.72 -0.43 -1.35 0.93 0.00 0.00 0.00 179.25 177.69 1f55 h GLU 47 N -0.01 0.44 0.33 0.00 4.39 0.13 -2.13 114.58 117.74 1f55 h GLU 47 Ca 0.33 -0.76 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 1f55 h GLU 47 Cb 0.52 0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1f55 h GLU 47 CO -0.73 1.36 -0.24 0.28 -1.16 0.00 0.00 179.01 178.53 1f55 h VAL 48 N -0.02 0.00 -0.58 3.13 2.07 0.50 0.18 116.25 121.53 1f55 h VAL 48 Ca -0.25 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.32 1f55 h VAL 48 Cb 2.00 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 1f55 h VAL 48 CO 0.22 0.00 0.31 -1.13 0.02 0.00 0.00 177.57 176.99 1f55 h ASN 49 N -0.54 0.46 0.26 0.57 -0.73 0.46 -2.15 115.58 113.90 1f55 h ASN 49 Ca -0.04 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.14 1f55 h ASN 49 Cb 0.45 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 1f55 h ASN 49 CO 0.02 0.31 -0.23 -0.78 -0.37 0.00 0.00 177.43 176.39 1f55 h ASP 50 N 0.60 -0.61 -0.74 1.15 1.82 -1.22 1.10 116.42 118.52 1f55 h ASP 50 Ca 0.25 0.05 0.12 0.00 -0.39 0.00 0.00 57.03 57.06 1f55 h ASP 50 Cb 0.14 0.20 -0.13 0.00 0.68 0.00 0.00 39.33 40.21 1f55 h ASP 50 CO -0.16 -0.31 -0.35 -0.07 -1.61 0.00 0.00 179.24 176.75 1f55 h LEU 51 N -0.47 -1.23 -0.47 2.28 -0.00 -0.55 2.17 115.31 117.04 1f55 h LEU 51 Ca -0.03 0.26 -0.02 0.00 -0.00 0.00 0.00 57.88 58.08 1f55 h LEU 51 Cb 0.40 0.63 -0.02 0.00 -0.00 0.00 0.00 40.66 41.67 1f55 h LEU 51 CO -0.01 -0.30 0.21 -0.03 -0.00 0.00 0.00 178.44 178.31 1f55 h MET 52 N -0.10 0.69 -0.40 1.13 4.05 -1.17 -2.91 114.93 116.22 1f55 h MET 52 Ca 0.28 -0.11 -0.14 0.00 -0.28 0.00 0.00 59.70 59.44 1f55 h MET 52 Cb 0.57 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1f55 h MET 52 CO -0.79 0.60 -0.32 -0.97 0.23 0.00 0.00 176.91 175.66 1f55 h ASN 53 N 0.61 0.95 0.00 1.39 -0.00 0.39 0.48 115.58 119.40 1f55 h ASN 53 Ca 0.16 -0.40 0.00 0.00 -0.00 0.00 0.00 56.30 56.06 1f55 h ASN 53 Cb 0.16 -0.26 0.00 0.00 -0.00 0.00 0.00 38.32 38.21 1f55 h ASN 53 CO -0.02 1.18 0.30 -0.33 -0.00 0.00 0.00 177.43 178.57 1f55 h GLU 54 N 0.75 0.00 0.00 6.67 4.39 0.36 -1.22 114.58 125.54 1f55 h GLU 54 Ca 0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1f55 h GLU 54 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1f55 h GLU 54 CO 0.08 0.00 -0.05 -0.89 -1.16 0.00 0.00 179.01 176.99 1f55 n ILE 55 N -2.72 0.00 -1.40 3.13 5.41 -1.01 -4.85 119.36 117.92 1f55 n ILE 55 Ca -0.02 -0.37 -0.23 0.00 1.00 0.00 0.00 62.75 63.13 1f55 n ILE 55 Cb 0.35 0.96 -0.11 0.00 -0.71 0.00 0.00 39.64 40.12 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 -0.83 1.50 -0.07 4.38 -0.08 0.17 -4.66 116.55 116.96 1f55 n ASP 56 Ca 0.00 -2.52 0.06 0.00 -1.51 0.00 0.00 54.79 50.82 1f55 n ASP 56 Cb 0.00 -1.47 0.42 0.00 2.34 0.00 0.00 41.12 42.41 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 6.21 1.04 0.03 5.18 -1.51 -1.87 -2.72 116.25 122.61 1f55 h VAL 57 Ca 0.09 -0.20 -0.33 0.00 -1.23 0.00 0.00 66.70 65.03 1f55 h VAL 57 Cb 0.92 0.41 -0.05 0.00 -2.13 0.00 0.00 31.29 30.44 1f55 h VAL 57 CO 1.27 0.11 -1.93 0.47 -1.23 0.00 0.00 177.57 176.26 1f55 n ASP 58 N -4.47 1.11 -0.73 4.19 8.00 -1.26 -5.02 116.55 118.37 1f55 n ASP 58 Ca 0.06 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1f55 n ASP 58 Cb 0.16 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 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 1.74 0.74 1.66 0.44 0.00 -1.03 -5.02 105.19 103.73 1f55 n GLY 59 Ca -0.25 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.73 4.17 -0.20 1.61 6.94 -1.26 -4.90 115.26 120.89 1f55 n ASN 60 Ca 0.00 -3.79 -0.03 0.00 -0.02 0.00 0.00 54.58 50.74 1f55 n ASN 60 Cb 0.28 -0.42 -0.01 0.00 -2.36 0.00 0.00 39.78 37.27 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 -0.83 0.00 -3.61 -2.53 8.25 -1.26 -4.87 115.22 110.37 1f55 n HIS 61 Ca 0.38 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.80 1f55 n HIS 61 Cb 0.90 -1.96 -0.02 0.00 1.12 0.00 0.00 29.99 30.03 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 -2.02 0.75 0.11 -0.41 -2.07 -1.26 -3.36 119.66 111.40 1f55 s GLN 62 Ca 0.00 -0.35 0.06 0.00 -1.82 0.00 0.00 55.36 53.25 1f55 s GLN 62 Cb 0.00 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 32.18 1f55 s GLN 62 CO 0.00 -0.34 -0.14 0.96 -1.32 0.00 0.00 175.29 174.45 1f55 s ILE 63 N -2.90 1.26 0.37 3.63 -5.25 -0.68 -4.69 121.20 112.93 1f55 s ILE 63 Ca 0.10 -1.60 0.01 0.00 -0.99 0.00 0.00 60.65 58.16 1f55 s ILE 63 Cb -0.00 -1.40 0.07 0.00 2.95 0.00 0.00 42.46 44.08 1f55 s ILE 63 CO -0.04 -0.37 0.51 -0.62 -1.79 0.00 0.00 174.94 172.63 1f55 n GLU 64 N 0.74 0.34 0.00 0.37 1.02 -1.26 0.17 120.64 122.02 1f55 n GLU 64 Ca -0.17 -1.48 0.00 0.00 -0.02 0.00 0.00 57.16 55.49 1f55 n GLU 64 Cb 0.56 -0.31 0.00 0.00 -0.02 0.00 0.00 31.44 31.67 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 -2.07 0.00 -0.25 -0.32 7.35 -1.26 -2.24 117.46 118.68 1f55 n PHE 65 Ca 0.09 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.95 1f55 n PHE 65 Cb 0.31 -0.47 0.33 0.00 0.35 0.00 0.00 39.48 40.00 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 -1.91 0.09 -0.17 -2.13 7.64 -1.26 0.26 113.62 116.14 1f55 n SER 66 Ca 0.00 1.24 -0.07 0.00 1.01 0.00 0.00 58.87 61.04 1f55 n SER 66 Cb 0.00 -0.53 0.02 0.00 -1.01 0.00 0.00 64.21 62.69 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 0.67 -0.32 1.43 5.08 -1.86 -0.73 114.58 118.85 1f55 h GLU 67 Ca 0.54 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.93 1f55 h GLU 67 Cb 1.30 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1f55 h GLU 67 CO -0.63 0.49 0.23 0.35 -1.00 0.00 0.00 179.01 178.45 1f55 h PHE 68 N 0.66 0.00 0.00 4.33 3.57 0.40 0.12 116.94 126.02 1f55 h PHE 68 Ca 0.18 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.51 1f55 h PHE 68 Cb -0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1f55 h PHE 68 CO -0.03 0.00 -0.77 -0.07 -2.23 0.00 0.00 178.31 175.21 1f55 h LEU 69 N 0.00 0.00 -0.27 0.59 -0.00 -0.59 0.15 115.31 115.19 1f55 h LEU 69 Ca 0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.97 1f55 h LEU 69 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.26 1f55 h LEU 69 CO -0.00 0.77 -0.05 0.00 -0.00 0.00 0.00 178.44 179.16 1f55 h ALA 70 N 1.23 0.37 0.07 1.53 0.00 -0.06 -2.87 119.26 119.53 1f55 h ALA 70 Ca -0.01 -0.26 -0.28 0.00 0.00 0.00 0.00 54.91 54.36 1f55 h ALA 70 Cb 1.37 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1f55 h ALA 70 CO 0.10 0.16 -1.48 1.25 0.00 0.00 0.00 179.25 179.28 1f55 h LEU 71 N 0.27 0.22 0.00 0.00 7.12 -1.51 -3.42 115.31 117.99 1f55 h LEU 71 Ca 0.07 -0.32 0.00 0.00 0.13 0.00 0.00 57.88 57.76 1f55 h LEU 71 Cb 0.51 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 1f55 h LEU 71 CO 0.02 1.27 0.00 0.80 -0.13 0.00 0.00 178.44 180.40 1f55 n MET 72 N -3.34 0.00 -1.67 1.25 1.56 0.53 -4.66 117.12 110.79 1f55 n MET 72 Ca -0.14 0.00 -0.48 0.00 -0.27 0.00 0.00 57.70 56.82 1f55 n MET 72 Cb 1.02 -0.46 -0.05 0.00 2.15 0.00 0.00 33.22 35.89 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 -0.11 3.13 -2.73 6.12 3.41 -1.08 -4.87 113.62 117.49 1f55 n SER 73 Ca 0.00 1.04 -0.09 0.00 -0.26 0.00 0.00 58.87 59.56 1f55 n SER 73 Cb 0.00 -1.38 0.09 0.00 -0.26 0.00 0.00 64.21 62.66 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 4.74 1.01 0.00 4.33 0.63 -1.26 -4.73 116.66 121.38 1f55 n ARG 74 Ca 0.20 -1.91 0.00 0.00 -0.92 0.00 0.00 57.85 55.22 1f55 n ARG 74 Cb 0.28 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.19 1f55 n ARG 74 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1f55 n GLN 75 N 0.34 -0.10 -1.40 -0.14 3.00 -1.26 -4.91 117.38 112.91 1f55 n GLN 75 Ca 0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.64 1f55 n GLN 75 Cb 0.70 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.95 1f55 n GLN 75 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1f55 n LEU 76 N 0.00 -0.98 0.00 1.08 4.32 -1.26 -5.29 117.00 114.87 1f55 n LEU 76 Ca 0.00 0.84 0.00 0.00 -0.02 0.00 0.00 56.01 56.83 1f55 n LEU 76 Cb 0.00 -1.04 0.00 0.00 -1.62 0.00 0.00 43.42 40.76 1f55 n LEU 76 CO 0.00 -3.41 0.00 1.17 -1.22 0.00 0.00 177.39 173.93