#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 0.00 6.43 7.64 -1.26 -5.14 113.62 121.29 1f55 n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 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 -3.20 -3.01 0.00 0.00 175.04 168.83 1f55 n ASN 3 N 0.00 0.00 0.00 6.43 4.05 -1.26 -5.16 115.26 119.32 1f55 n ASN 3 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1f55 n ASN 3 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1f55 n ASN 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1f55 n LEU 4 N 0.00 0.00 0.00 1.20 -0.00 -1.26 -4.23 117.00 112.71 1f55 n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1f55 n LEU 4 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1f55 n LEU 4 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 177.39 177.74 1f55 n THR 5 N 0.00 0.00 -0.60 1.47 -2.24 -1.26 -0.46 114.28 111.20 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 0.77 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.02 -0.08 -0.78 4.11 -1.97 0.93 114.58 116.80 1f55 h GLU 6 Ca 0.00 -0.00 -0.03 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 0.01 -0.08 1.49 0.07 0.00 0.00 179.01 180.50 1f55 h GLU 7 N 0.02 0.20 -0.19 1.06 4.81 -1.04 -0.68 114.58 118.76 1f55 h GLU 7 Ca 0.88 -0.11 -0.09 0.00 -0.13 0.00 0.00 59.36 59.91 1f55 h GLU 7 Cb 3.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 32.69 1f55 h GLU 7 CO -0.14 0.63 -0.24 -0.56 -0.73 0.00 0.00 179.01 177.98 1f55 h GLN 8 N -0.22 0.50 0.42 1.92 3.07 0.11 -2.76 115.11 118.14 1f55 h GLN 8 Ca 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 58.65 58.46 1f55 h GLN 8 Cb 0.60 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.16 1f55 h GLN 8 CO 0.02 0.87 -0.39 0.82 0.09 0.00 0.00 178.83 180.24 1f55 h ILE 9 N 0.16 0.00 -0.87 1.86 2.04 -0.50 0.29 117.51 120.50 1f55 h ILE 9 Ca 0.02 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.09 1f55 h ILE 9 Cb 0.80 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.72 1f55 h ILE 9 CO 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 178.15 178.17 1f55 h ALA 10 N -1.15 0.87 -0.39 1.87 0.00 -1.19 0.61 119.26 119.89 1f55 h ALA 10 Ca -0.05 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1f55 h ALA 10 Cb 0.68 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1f55 h ALA 10 CO -0.03 -0.46 0.20 1.49 0.00 0.00 0.00 179.25 180.45 1f55 h GLU 11 N 0.05 0.55 -0.09 0.00 4.81 -1.10 -2.83 114.58 115.97 1f55 h GLU 11 Ca 0.48 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1f55 h GLU 11 Cb 0.88 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1f55 h GLU 11 CO -0.81 0.46 0.06 0.74 -0.73 0.00 0.00 179.01 178.73 1f55 h PHE 12 N 0.49 0.12 -0.75 0.92 0.04 0.38 -2.64 116.94 115.50 1f55 h PHE 12 Ca 0.13 0.00 0.12 0.00 2.80 0.00 0.00 57.97 61.02 1f55 h PHE 12 Cb 0.08 -0.04 -0.13 0.00 2.20 0.00 0.00 35.95 38.06 1f55 h PHE 12 CO -0.02 0.10 -0.39 0.87 -0.60 0.00 0.00 178.31 178.27 1f55 h LYS 13 N 0.10 -0.11 -0.77 1.51 1.57 -0.04 1.03 116.57 119.86 1f55 h LYS 13 Ca 0.03 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.95 1f55 h LYS 13 Cb 0.01 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.26 1f55 h LYS 13 CO -0.01 -0.07 0.35 0.93 -0.57 0.00 0.00 179.45 180.08 1f55 h GLU 14 N -0.11 0.51 -0.04 3.15 3.07 -1.26 -1.33 114.58 118.57 1f55 h GLU 14 Ca 0.26 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 1f55 h GLU 14 Cb 0.56 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1f55 h GLU 14 CO -0.80 0.34 0.00 0.00 -1.40 0.00 0.00 179.01 177.15 1f55 h ALA 15 N 1.52 0.05 -0.21 3.43 0.00 0.10 -2.77 119.26 121.38 1f55 h ALA 15 Ca 0.41 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1f55 h ALA 15 Cb 0.58 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1f55 h ALA 15 CO -0.36 -0.29 -0.28 0.35 0.00 0.00 0.00 179.25 178.67 1f55 h PHE 16 N -0.22 -0.85 -0.86 0.00 3.57 0.17 0.13 116.94 118.88 1f55 h PHE 16 Ca 0.01 0.04 0.21 0.00 3.53 0.00 0.00 57.97 61.76 1f55 h PHE 16 Cb 0.31 0.40 -0.15 0.00 2.79 0.00 0.00 35.95 39.30 1f55 h PHE 16 CO 0.03 -0.24 0.03 0.00 -2.23 0.00 0.00 178.31 175.89 1f55 h ALA 17 N -0.66 0.96 -0.97 2.41 0.00 -1.41 1.11 119.26 120.70 1f55 h ALA 17 Ca 0.04 0.28 0.15 0.00 0.00 0.00 0.00 54.91 55.38 1f55 h ALA 17 Cb 0.29 0.48 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 1f55 h ALA 17 CO -0.30 -0.47 0.61 1.25 0.00 0.00 0.00 179.25 180.34 1f55 h LEU 18 N 0.08 0.79 0.12 0.00 5.85 -0.51 0.76 115.31 122.40 1f55 h LEU 18 Ca 0.49 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.26 1f55 h LEU 18 Cb 0.93 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1f55 h LEU 18 CO -0.76 0.37 -0.06 -0.26 -0.34 0.00 0.00 178.44 177.39 1f55 h PHE 19 N 0.82 -0.15 -0.46 1.25 0.04 0.27 -3.13 116.94 115.58 1f55 h PHE 19 Ca 0.50 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.23 1f55 h PHE 19 Cb 0.70 0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 1f55 h PHE 19 CO -0.00 0.24 0.12 0.22 -0.60 0.00 0.00 178.31 178.29 1f55 h ASP 20 N -0.58 0.63 0.00 2.17 3.58 -0.47 -2.78 116.42 118.96 1f55 h ASP 20 Ca -0.02 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1f55 h ASP 20 Cb 0.46 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1f55 h ASP 20 CO 0.03 0.62 0.00 0.29 -2.88 0.00 0.00 179.24 177.30 1f55 n LYS 21 N -4.31 -1.04 0.00 0.28 4.76 0.26 -4.64 118.16 113.46 1f55 n LYS 21 Ca 0.03 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 1f55 n LYS 21 Cb 0.20 -4.31 0.00 0.00 -1.84 0.00 0.00 35.03 29.08 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 -0.52 0.86 -1.08 4.39 8.00 -1.26 -5.00 116.55 121.94 1f55 n ASP 22 Ca 0.00 -0.15 -0.14 0.00 0.71 0.00 0.00 54.79 55.21 1f55 n ASP 22 Cb 0.26 0.47 -0.06 0.00 -0.02 0.00 0.00 41.12 41.77 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 -0.55 -5.00 -0.24 -2.24 3.02 -1.26 -4.82 115.26 104.17 1f55 n ASN 23 Ca 0.00 0.35 0.01 0.00 -0.03 0.00 0.00 54.58 54.91 1f55 n ASN 23 Cb 0.00 -3.74 0.03 0.00 -0.61 0.00 0.00 39.78 35.46 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 -0.64 0.59 -0.31 6.41 5.03 -1.26 -4.80 115.26 120.28 1f55 n ASN 24 Ca -0.14 -2.02 -0.04 0.00 0.87 0.00 0.00 54.58 53.25 1f55 n ASN 24 Cb 0.51 -0.16 -0.02 0.00 -1.02 0.00 0.00 39.78 39.10 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 0.46 0.54 3.02 7.41 0.00 -1.26 -4.95 105.19 110.40 1f55 n GLY 25 Ca 0.02 -0.10 -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 -2.24 -0.05 0.33 1.61 0.15 -1.26 -3.74 113.70 108.50 1f55 s SER 26 Ca 0.00 0.05 0.10 0.00 0.70 0.00 0.00 55.95 56.80 1f55 s SER 26 Cb 0.00 0.21 -0.06 0.00 -1.71 0.00 0.00 66.02 64.47 1f55 s SER 26 CO 0.00 -0.14 -0.06 -0.63 1.20 0.00 0.00 173.24 173.60 1f55 s ILE 27 N -0.44 2.45 0.00 6.45 1.01 0.14 -4.65 121.20 126.16 1f55 s ILE 27 Ca -0.05 -2.13 0.00 0.00 0.00 0.00 0.00 60.65 58.47 1f55 s ILE 27 Cb -0.03 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.76 1f55 s ILE 27 CO 0.00 -0.23 0.00 -0.24 0.00 0.00 0.00 174.94 174.48 1f55 n SER 28 N -0.84 0.00 0.08 3.58 2.88 -1.26 -2.39 113.62 115.66 1f55 n SER 28 Ca -0.05 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.27 1f55 n SER 28 Cb 0.63 0.00 -0.15 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 0.00 0.60 0.70 -3.46 4.64 -1.89 -2.61 113.55 111.54 1f55 h SER 29 Ca 0.00 -0.92 -0.10 0.00 -0.47 0.00 0.00 61.79 60.31 1f55 h SER 29 Cb 0.00 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1f55 h SER 29 CO 0.00 1.64 -0.46 -1.28 -0.87 0.00 0.00 176.83 175.86 1f55 h SER 30 N -0.09 0.00 0.11 4.97 0.87 -1.96 -2.17 113.55 115.29 1f55 h SER 30 Ca -0.26 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.13 1f55 h SER 30 Cb 1.94 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.91 1f55 h SER 30 CO 0.17 0.46 -0.75 -0.33 -0.53 0.00 0.00 176.83 175.85 1f55 h GLU 31 N 0.00 0.24 0.00 2.24 5.08 -1.76 -2.64 114.58 117.74 1f55 h GLU 31 Ca -0.00 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1f55 h GLU 31 Cb 0.94 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1f55 h GLU 31 CO 0.06 1.20 -0.20 1.25 -1.00 0.00 0.00 179.01 180.31 1f55 h LEU 32 N -0.48 0.00 0.17 1.33 7.12 -1.16 -3.04 115.31 119.24 1f55 h LEU 32 Ca -0.14 0.00 -0.22 0.00 0.13 0.00 0.00 57.88 57.65 1f55 h LEU 32 Cb 1.55 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 41.70 1f55 h LEU 32 CO 0.11 0.20 -0.96 0.00 -0.13 0.00 0.00 178.44 177.67 1f55 h ALA 33 N 1.80 -0.11 -0.69 1.25 0.00 -1.46 -3.16 119.26 116.90 1f55 h ALA 33 Ca -0.00 -0.73 0.20 0.00 0.00 0.00 0.00 54.91 54.37 1f55 h ALA 33 Cb 0.51 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1f55 h ALA 33 CO 0.03 0.45 0.88 0.00 0.00 0.00 0.00 179.25 180.60 1f55 h THR 34 N -0.26 0.13 -0.01 0.00 1.03 -1.34 1.83 112.91 114.29 1f55 h THR 34 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 1f55 h THR 34 Cb 1.76 0.27 0.00 0.00 -1.07 0.00 0.00 68.15 69.11 1f55 h THR 34 CO 0.18 0.00 -0.71 0.52 -0.01 0.00 0.00 175.52 175.50 1f55 n VAL 35 N -3.34 0.00 -0.03 0.00 0.31 -1.23 -4.45 118.33 109.60 1f55 n VAL 35 Ca 0.15 -0.14 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 1f55 n VAL 35 Cb 1.10 1.11 -0.10 0.00 -0.91 0.00 0.00 33.84 35.04 1f55 n VAL 35 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 1f55 h MET 36 N 1.01 0.05 0.00 5.55 4.05 0.29 -0.58 114.93 125.31 1f55 h MET 36 Ca 0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1f55 h MET 36 Cb 0.57 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1f55 h MET 36 CO 0.00 0.66 0.19 0.07 0.23 0.00 0.00 176.91 178.06 1f55 h ARG 37 N -0.54 0.00 0.00 0.39 0.11 -1.46 2.33 114.38 115.21 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 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 1f55 h ARG 37 CO 0.01 0.00 -0.06 0.45 0.10 0.00 0.00 179.97 180.47 1f55 n SER 38 N -2.56 2.02 0.00 0.08 2.88 -1.13 -4.57 113.62 110.34 1f55 n SER 38 Ca -0.02 -2.86 0.00 0.00 -1.33 0.00 0.00 58.87 54.66 1f55 n SER 38 Cb 0.23 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1f55 n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1f55 n LEU 39 N -1.19 0.00 -2.00 2.46 7.94 0.24 -4.96 117.00 119.50 1f55 n LEU 39 Ca 0.13 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.97 1f55 n LEU 39 Cb 0.62 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.63 1f55 n LEU 39 CO 0.01 0.00 0.12 0.61 -1.11 0.00 0.00 177.39 177.01 1f55 n GLY 40 N -1.17 3.52 1.29 -3.96 0.00 0.40 -4.97 105.19 100.31 1f55 n GLY 40 Ca 0.00 -1.54 0.14 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.51 -0.84 -4.16 0.99 7.94 0.69 -4.61 117.00 116.50 1f55 n LEU 41 Ca 0.20 1.96 -0.39 0.00 -1.11 0.00 0.00 56.01 56.67 1f55 n LEU 41 Cb 0.90 -2.98 -0.06 0.00 0.53 0.00 0.00 43.42 41.81 1f55 n LEU 41 CO 0.13 -1.85 0.33 -0.94 -1.11 0.00 0.00 177.39 173.95 1f55 s SER 42 N -6.83 6.05 0.00 1.96 1.04 -1.26 -2.82 113.70 111.84 1f55 s SER 42 Ca 0.00 -3.34 0.00 0.00 0.48 0.00 0.00 55.95 53.09 1f55 s SER 42 Cb 0.00 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.15 1f55 s SER 42 CO 0.00 -0.30 0.00 -0.81 0.98 0.00 0.00 173.24 173.12 1f55 n PRO 43 N 2.90 0.00 -3.60 4.02 -0.04 -1.26 -4.98 135.00 132.04 1f55 n PRO 43 Ca 0.17 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.64 1f55 n PRO 43 Cb 0.39 -0.18 -0.01 0.00 -0.04 0.00 0.00 33.50 33.66 1f55 n PRO 43 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1f55 s SER 44 N -1.34 -0.00 0.20 3.54 1.04 -1.26 -4.99 113.70 110.88 1f55 s SER 44 Ca 0.00 -0.00 -0.09 0.00 0.48 0.00 0.00 55.95 56.34 1f55 s SER 44 Cb 0.00 0.00 0.29 0.00 0.10 0.00 0.00 66.02 66.41 1f55 s SER 44 CO 0.00 -0.01 1.19 1.21 0.98 0.00 0.00 173.24 176.61 1f55 n GLU 45 N -0.25 -0.11 -0.26 4.02 4.07 -1.26 0.71 120.64 127.57 1f55 n GLU 45 Ca -0.02 1.18 -0.03 0.00 -0.06 0.00 0.00 57.16 58.23 1f55 n GLU 45 Cb 0.60 -1.76 0.02 0.00 -0.06 0.00 0.00 31.44 30.24 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 1.35 0.07 0.00 4.31 0.00 -1.98 0.86 119.26 123.86 1f55 h ALA 46 Ca 0.33 0.21 -0.13 0.00 0.00 0.00 0.00 54.91 55.31 1f55 h ALA 46 Cb 0.52 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1f55 h ALA 46 CO -0.77 -0.63 -0.64 0.93 0.00 0.00 0.00 179.25 178.13 1f55 h GLU 47 N -0.10 0.00 0.17 0.00 5.08 -0.10 -2.33 114.58 117.29 1f55 h GLU 47 Ca 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1f55 h GLU 47 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1f55 h GLU 47 CO -0.77 0.64 -0.08 0.28 -1.00 0.00 0.00 179.01 178.08 1f55 h VAL 48 N 0.00 0.00 -0.97 3.13 2.07 0.36 -2.28 116.25 118.56 1f55 h VAL 48 Ca -0.01 -0.13 0.18 0.00 0.82 0.00 0.00 66.70 67.55 1f55 h VAL 48 Cb 1.33 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.01 1f55 h VAL 48 CO 0.08 0.00 0.61 -1.13 0.02 0.00 0.00 177.57 177.15 1f55 h ASN 49 N -0.36 0.70 -0.89 0.57 -1.24 0.37 0.12 115.58 114.85 1f55 h ASN 49 Ca -0.02 0.07 0.06 0.00 0.71 0.00 0.00 56.30 57.11 1f55 h ASN 49 Cb 0.17 -0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.10 1f55 h ASN 49 CO 0.04 0.29 0.56 -0.78 -1.29 0.00 0.00 177.43 176.25 1f55 h ASP 50 N 0.71 0.90 0.61 1.15 3.58 -1.43 -1.29 116.42 120.64 1f55 h ASP 50 Ca 0.52 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.95 1f55 h ASP 50 Cb 0.88 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 41.76 1f55 h ASP 50 CO -0.29 0.58 -0.29 0.25 -2.88 0.00 0.00 179.24 176.61 1f55 h LEU 51 N 1.03 -0.69 -0.79 2.28 5.85 -0.16 0.17 115.31 123.00 1f55 h LEU 51 Ca 0.38 -0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.27 1f55 h LEU 51 Cb 0.15 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.25 1f55 h LEU 51 CO -0.17 -0.44 0.28 -0.03 -0.34 0.00 0.00 178.44 177.75 1f55 h MET 52 N -0.90 0.37 0.61 1.25 1.85 -1.17 -0.36 114.93 116.57 1f55 h MET 52 Ca -0.08 -0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 58.95 1f55 h MET 52 Cb 0.66 -0.08 0.01 0.00 0.43 0.00 0.00 31.60 32.61 1f55 h MET 52 CO 0.14 0.24 -0.29 -0.97 -0.40 0.00 0.00 176.91 175.63 1f55 h ASN 53 N 0.38 -0.69 -0.69 1.39 -1.24 -0.97 0.22 115.58 113.97 1f55 h ASN 53 Ca 0.45 -0.02 0.14 0.00 0.71 0.00 0.00 56.30 57.58 1f55 h ASN 53 Cb 0.76 0.18 -0.13 0.00 0.73 0.00 0.00 38.32 39.86 1f55 h ASN 53 CO -0.47 -0.33 -0.20 -0.33 -1.29 0.00 0.00 177.43 174.81 1f55 h GLU 54 N -1.11 -0.03 0.00 6.67 5.08 -0.10 1.17 114.58 126.26 1f55 h GLU 54 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1f55 h GLU 54 Cb 0.67 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1f55 h GLU 54 CO 0.14 -0.02 0.00 1.51 -1.00 0.00 0.00 179.01 179.64 1f55 n ILE 55 N -5.47 0.21 -1.16 3.13 3.06 -0.20 -4.83 119.36 114.11 1f55 n ILE 55 Ca 0.08 0.05 -0.29 0.00 -2.50 0.00 0.00 62.75 60.10 1f55 n ILE 55 Cb 0.36 -0.62 0.18 0.00 0.54 0.00 0.00 39.64 40.11 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1f55 s ASP 56 N -2.84 2.51 0.00 9.51 -1.08 0.40 -4.45 116.67 120.72 1f55 s ASP 56 Ca 0.17 1.16 0.00 0.00 -0.52 0.00 0.00 52.55 53.36 1f55 s ASP 56 Cb 0.17 -1.83 0.00 0.00 -1.46 0.00 0.00 42.92 39.80 1f55 s ASP 56 CO 0.44 -3.20 0.00 1.33 0.52 0.00 0.00 175.17 174.26 1f55 n VAL 57 N -4.22 0.00 0.61 1.11 0.24 -1.26 -4.83 118.33 109.98 1f55 n VAL 57 Ca 0.05 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.43 1f55 n VAL 57 Cb 0.57 -0.23 -0.10 0.00 -1.47 0.00 0.00 33.84 32.61 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 -1.35 0.85 -1.73 -1.34 5.75 -1.26 -5.03 116.55 112.43 1f55 n ASP 58 Ca 0.00 -0.69 -0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1f55 n ASP 58 Cb 0.15 1.18 0.00 0.00 -1.03 0.00 0.00 41.12 41.41 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 1.42 -0.55 0.83 6.12 0.00 -1.26 -5.01 105.19 106.74 1f55 n GLY 59 Ca 0.02 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.93 1.02 0.00 1.61 6.94 -1.26 -4.95 115.26 117.69 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 -0.22 0.00 -3.54 -2.53 8.25 -1.26 -4.90 115.22 111.01 1f55 n HIS 61 Ca 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.43 1f55 n HIS 61 Cb 0.86 -1.41 -0.03 0.00 1.12 0.00 0.00 29.99 30.52 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 -1.35 1.27 0.07 -0.41 -0.21 -1.26 -4.40 119.66 113.37 1f55 s GLN 62 Ca 0.00 -0.62 0.02 0.00 0.02 0.00 0.00 55.36 54.78 1f55 s GLN 62 Cb 0.00 0.55 -0.03 0.00 1.00 0.00 0.00 33.01 34.53 1f55 s GLN 62 CO 0.00 -0.54 -0.07 0.96 -2.12 0.00 0.00 175.29 173.52 1f55 s ILE 63 N -3.79 0.56 0.35 1.08 -5.25 -1.01 -4.78 121.20 108.37 1f55 s ILE 63 Ca 0.03 -1.50 0.05 0.00 -0.99 0.00 0.00 60.65 58.24 1f55 s ILE 63 Cb -0.01 -1.12 0.06 0.00 2.95 0.00 0.00 42.46 44.34 1f55 s ILE 63 CO -0.10 -0.65 0.49 -0.62 -1.79 0.00 0.00 174.94 172.27 1f55 n GLU 64 N 0.72 0.68 0.00 0.37 1.02 -1.26 0.24 120.64 122.40 1f55 n GLU 64 Ca -0.18 -1.80 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 1f55 n GLU 64 Cb 0.58 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 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 -1.82 0.00 -0.24 -0.32 7.35 -1.25 -1.61 117.46 119.57 1f55 n PHE 65 Ca 0.10 0.00 0.23 0.00 -0.76 0.00 0.00 57.45 57.01 1f55 n PHE 65 Cb 0.35 -0.43 0.42 0.00 0.35 0.00 0.00 39.48 40.18 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 -1.78 0.23 -0.10 -2.13 2.88 -1.26 0.27 113.62 111.73 1f55 n SER 66 Ca 0.00 1.24 -0.11 0.00 -1.33 0.00 0.00 58.87 58.67 1f55 n SER 66 Cb 0.00 -0.59 -0.03 0.00 -0.75 0.00 0.00 64.21 62.84 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 0.54 -0.75 -1.46 5.08 -1.85 -1.67 114.58 114.48 1f55 h GLU 67 Ca 0.62 -0.18 0.13 0.00 -1.00 0.00 0.00 59.36 58.92 1f55 h GLU 67 Cb 1.61 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.77 1f55 h GLU 67 CO -0.58 0.70 0.49 0.35 -1.00 0.00 0.00 179.01 178.98 1f55 h PHE 68 N 0.33 0.55 0.12 4.33 3.57 0.47 -1.75 116.94 124.55 1f55 h PHE 68 Ca 0.08 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1f55 h PHE 68 Cb 0.47 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1f55 h PHE 68 CO 0.04 0.22 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.22 1f55 h LEU 69 N 0.48 -0.13 -0.97 0.59 -0.00 -0.76 0.22 115.31 114.74 1f55 h LEU 69 Ca 0.36 -0.37 0.32 0.00 -0.00 0.00 0.00 57.88 58.19 1f55 h LEU 69 Cb 0.73 0.03 -0.16 0.00 -0.00 0.00 0.00 40.66 41.26 1f55 h LEU 69 CO -0.12 0.33 0.42 0.00 -0.00 0.00 0.00 178.44 179.07 1f55 h ALA 70 N 0.15 1.76 0.00 1.53 0.00 -0.42 0.66 119.26 122.93 1f55 h ALA 70 Ca -0.02 0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.91 1f55 h ALA 70 Cb 0.49 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1f55 h ALA 70 CO 0.03 -0.64 -1.27 1.25 0.00 0.00 0.00 179.25 178.62 1f55 h LEU 71 N 0.19 0.00 0.00 0.00 5.85 -1.39 -3.40 115.31 116.56 1f55 h LEU 71 Ca 0.70 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.42 1f55 h LEU 71 Cb 1.63 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.66 1f55 h LEU 71 CO -0.69 0.88 0.00 0.23 -0.34 0.00 0.00 178.44 178.52 1f55 n MET 72 N -3.15 0.00 -4.07 1.25 2.81 0.22 -4.68 117.12 109.50 1f55 n MET 72 Ca -0.07 0.00 -0.46 0.00 -1.81 0.00 0.00 57.70 55.36 1f55 n MET 72 Cb 0.94 -0.86 0.02 0.00 -0.71 0.00 0.00 33.22 32.62 1f55 n MET 72 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1f55 n SER 73 N -0.49 -4.00 -3.45 7.83 7.64 -0.70 -1.24 113.62 119.20 1f55 n SER 73 Ca 0.00 -1.29 -0.20 0.00 1.01 0.00 0.00 58.87 58.39 1f55 n SER 73 Cb 0.00 -1.73 0.06 0.00 -1.01 0.00 0.00 64.21 61.53 1f55 n SER 73 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1f55 n ARG 74 N -5.02 -3.31 0.00 1.43 5.12 -1.26 -4.67 116.66 108.95 1f55 n ARG 74 Ca -0.12 0.74 0.00 0.00 -1.93 0.00 0.00 57.85 56.54 1f55 n ARG 74 Cb 0.57 -5.37 0.00 0.00 -1.16 0.00 0.00 32.46 26.50 1f55 n ARG 74 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1f55 n GLN 75 N -3.78 0.00 -1.55 5.56 6.02 -0.37 -4.76 117.38 118.50 1f55 n GLN 75 Ca -0.16 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.53 1f55 n GLN 75 Cb 0.63 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.97 1f55 n GLN 75 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1f55 s LEU 76 N 0.00 2.77 0.00 1.08 1.43 -1.26 -4.81 118.68 117.88 1f55 s LEU 76 Ca 0.00 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 1f55 s LEU 76 Cb 0.00 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.11 1f55 s LEU 76 CO 0.00 -1.81 0.18 0.29 0.23 0.00 0.00 176.35 175.24