#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f55 h SER 2 N 0.00 -0.19 -0.93 6.43 0.02 -2.05 -3.41 113.55 113.43 1f55 h SER 2 Ca 0.00 0.01 -0.35 0.00 -0.84 0.00 0.00 61.79 60.61 1f55 h SER 2 Cb 0.00 0.05 -0.40 0.00 0.14 0.00 0.00 62.40 62.19 1f55 h SER 2 CO 0.00 -0.12 -1.18 0.59 -1.14 0.00 0.00 176.83 174.98 1f55 n ASN 3 N -2.66 1.42 -0.37 3.07 3.02 -1.26 -5.00 115.26 113.48 1f55 n ASN 3 Ca -0.03 -2.63 0.00 0.00 -0.03 0.00 0.00 54.58 51.89 1f55 n ASN 3 Cb 0.09 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 1f55 n ASN 3 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f55 n LEU 4 N -0.13 0.00 0.00 3.41 -0.00 -1.26 -4.23 117.00 114.79 1f55 n LEU 4 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.10 1f55 n LEU 4 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.24 1f55 n LEU 4 CO 0.24 0.00 0.00 0.35 -0.00 0.00 0.00 177.39 177.98 1f55 n THR 5 N 0.00 0.00 -0.66 1.47 -2.24 -1.26 0.87 114.28 112.46 1f55 n THR 5 Ca 0.00 0.00 0.51 0.00 -2.27 0.00 0.00 64.05 62.29 1f55 n THR 5 Cb 0.00 0.00 0.79 0.00 -2.10 0.00 0.00 70.33 69.02 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 -0.07 -0.78 -0.00 -1.98 1.24 114.58 112.99 1f55 h GLU 6 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.31 1f55 h GLU 6 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1f55 h GLU 6 CO 0.00 0.00 -0.14 1.49 -0.00 0.00 0.00 179.01 180.36 1f55 h GLU 7 N 0.00 0.22 -0.14 1.06 4.81 0.14 -1.13 114.58 119.54 1f55 h GLU 7 Ca 0.89 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.91 1f55 h GLU 7 Cb 3.66 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 33.06 1f55 h GLU 7 CO -0.01 0.73 -0.20 -0.56 -0.73 0.00 0.00 179.01 178.24 1f55 h GLN 8 N -0.26 0.38 0.24 1.92 3.07 0.18 -2.78 115.11 117.86 1f55 h GLN 8 Ca 0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 58.65 58.52 1f55 h GLN 8 Cb 0.72 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.27 1f55 h GLN 8 CO 0.03 0.80 -0.34 0.82 0.09 0.00 0.00 178.83 180.23 1f55 h ILE 9 N -0.01 0.00 -0.84 1.86 2.04 -0.56 0.39 117.51 120.39 1f55 h ILE 9 Ca 0.01 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.05 1f55 h ILE 9 Cb 0.76 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.68 1f55 h ILE 9 CO 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 178.04 1f55 h ALA 10 N -1.08 0.65 -0.73 1.87 0.00 -1.28 0.74 119.26 119.43 1f55 h ALA 10 Ca -0.03 0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1f55 h ALA 10 Cb 0.55 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1f55 h ALA 10 CO -0.10 -0.42 0.40 0.93 0.00 0.00 0.00 179.25 180.07 1f55 h GLU 11 N 0.02 1.02 -0.06 0.00 5.08 -1.10 -2.79 114.58 116.75 1f55 h GLU 11 Ca 0.42 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1f55 h GLU 11 Cb 0.69 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1f55 h GLU 11 CO -0.84 0.76 0.02 0.74 -1.00 0.00 0.00 179.01 178.69 1f55 h PHE 12 N 1.01 0.10 -0.75 4.33 0.04 0.46 -2.69 116.94 119.44 1f55 h PHE 12 Ca 0.26 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 61.15 1f55 h PHE 12 Cb 0.03 -0.03 -0.13 0.00 2.20 0.00 0.00 35.95 38.02 1f55 h PHE 12 CO -0.00 0.24 -0.34 0.87 -0.60 0.00 0.00 178.31 178.48 1f55 h LYS 13 N -0.08 -0.09 -0.64 1.51 1.57 0.01 1.14 116.57 119.99 1f55 h LYS 13 Ca 0.02 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.91 1f55 h LYS 13 Cb 0.19 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.44 1f55 h LYS 13 CO -0.00 -0.06 0.24 1.49 -0.57 0.00 0.00 179.45 180.55 1f55 h GLU 14 N -0.09 0.41 -0.17 3.15 4.57 -1.34 -1.48 114.58 119.63 1f55 h GLU 14 Ca 0.29 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 1f55 h GLU 14 Cb 0.57 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1f55 h GLU 14 CO -0.80 0.27 0.01 0.00 -1.18 0.00 0.00 179.01 177.32 1f55 h ALA 15 N 1.45 0.22 -0.16 2.92 0.00 0.70 -2.77 119.26 121.61 1f55 h ALA 15 Ca 0.33 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1f55 h ALA 15 Cb 0.43 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1f55 h ALA 15 CO -0.33 -0.09 -0.27 0.35 0.00 0.00 0.00 179.25 178.90 1f55 h PHE 16 N 0.05 -0.83 -0.84 0.00 3.57 0.19 0.42 116.94 119.49 1f55 h PHE 16 Ca 0.05 0.04 0.20 0.00 3.53 0.00 0.00 57.97 61.79 1f55 h PHE 16 Cb 0.34 0.39 -0.15 0.00 2.79 0.00 0.00 35.95 39.32 1f55 h PHE 16 CO 0.03 -0.25 0.01 0.00 -2.23 0.00 0.00 178.31 175.86 1f55 h ALA 17 N -0.73 0.90 -0.96 2.41 0.00 -1.38 0.76 119.26 120.26 1f55 h ALA 17 Ca 0.03 0.28 0.29 0.00 0.00 0.00 0.00 54.91 55.50 1f55 h ALA 17 Cb 0.31 0.48 -0.15 0.00 0.00 0.00 0.00 17.79 18.43 1f55 h ALA 17 CO -0.27 -0.46 0.45 1.25 0.00 0.00 0.00 179.25 180.22 1f55 h LEU 18 N 0.08 0.34 0.11 0.00 5.85 -0.63 -0.14 115.31 120.91 1f55 h LEU 18 Ca 0.47 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 59.38 1f55 h LEU 18 Cb 0.88 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1f55 h LEU 18 CO -0.76 -0.13 -0.05 -0.26 -0.34 0.00 0.00 178.44 176.90 1f55 h PHE 19 N 0.30 -0.13 -3.78 1.25 0.04 0.10 -3.43 116.94 111.29 1f55 h PHE 19 Ca 0.66 -0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.90 1f55 h PHE 19 Cb 1.44 0.04 0.07 0.00 2.20 0.00 0.00 35.95 39.71 1f55 h PHE 19 CO -0.10 0.35 0.69 0.34 -0.60 0.00 0.00 178.31 178.99 1f55 s ASP 20 N -5.56 6.67 0.00 2.17 2.15 -0.07 -3.83 116.67 118.20 1f55 s ASP 20 Ca -0.15 2.75 0.19 0.00 0.43 0.00 0.00 52.55 55.77 1f55 s ASP 20 Cb 0.01 -2.65 0.49 0.00 -0.30 0.00 0.00 42.92 40.47 1f55 s ASP 20 CO 0.58 -0.63 1.40 0.29 -0.17 0.00 0.00 175.17 176.64 1f55 n LYS 21 N 1.08 2.63 0.00 4.34 4.76 -1.26 -4.33 118.16 125.38 1f55 n LYS 21 Ca 0.02 -2.36 0.00 0.00 -2.87 0.00 0.00 58.31 53.10 1f55 n LYS 21 Cb 0.41 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 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 1.26 0.87 -1.59 4.39 8.00 -1.26 -5.00 116.55 123.22 1f55 n ASP 22 Ca 0.19 -0.29 -0.18 0.00 0.71 0.00 0.00 54.79 55.22 1f55 n ASP 22 Cb 0.55 0.75 -0.05 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 -0.84 -5.18 -0.47 -2.24 3.02 -1.26 -4.83 115.26 103.46 1f55 n ASN 23 Ca 0.00 0.29 0.02 0.00 -0.03 0.00 0.00 54.58 54.86 1f55 n ASN 23 Cb 0.00 -4.26 0.06 0.00 -0.61 0.00 0.00 39.78 34.97 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 -1.07 1.19 0.00 6.41 5.03 -1.26 -4.80 115.26 120.76 1f55 n ASN 24 Ca -0.19 -2.07 0.00 0.00 0.87 0.00 0.00 54.58 53.19 1f55 n ASN 24 Cb 0.61 -0.30 0.00 0.00 -1.02 0.00 0.00 39.78 39.07 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 0.40 0.35 3.09 7.41 0.00 -1.26 -4.96 105.19 110.21 1f55 n GLY 25 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.14 0.94 -0.08 1.61 0.15 -1.26 -2.69 113.70 110.24 1f55 s SER 26 Ca 0.00 -0.68 0.02 0.00 0.70 0.00 0.00 55.95 56.00 1f55 s SER 26 Cb 0.00 0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.37 1f55 s SER 26 CO 0.00 -0.27 -0.14 -0.63 1.20 0.00 0.00 173.24 173.40 1f55 s ILE 27 N -1.99 1.28 0.00 6.45 1.01 0.24 -4.77 121.20 123.42 1f55 s ILE 27 Ca -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1f55 s ILE 27 Cb -0.06 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1f55 s ILE 27 CO -0.01 0.39 0.00 -0.24 0.00 0.00 0.00 174.94 175.08 1f55 n SER 28 N 3.85 0.00 0.00 3.58 2.88 -1.26 -0.59 113.62 122.08 1f55 n SER 28 Ca -0.22 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.00 1f55 n SER 28 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 -0.96 0.00 -0.36 -3.46 3.41 -1.23 -2.50 113.62 108.53 1f55 n SER 29 Ca 0.00 0.11 0.28 0.00 -0.26 0.00 0.00 58.87 58.99 1f55 n SER 29 Cb 0.00 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 64.48 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 0.42 0.00 4.04 0.02 -1.95 -2.23 113.55 113.85 1f55 h SER 30 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1f55 h SER 30 Cb 0.00 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1f55 h SER 30 CO 0.00 -0.11 0.00 -0.62 -1.14 0.00 0.00 176.83 174.96 1f55 n GLU 31 N -4.87 0.00 0.12 3.45 1.02 -1.22 0.68 120.64 119.82 1f55 n GLU 31 Ca 0.32 0.79 0.19 0.00 -0.02 0.00 0.00 57.16 58.44 1f55 n GLU 31 Cb 1.10 -1.43 0.77 0.00 -0.02 0.00 0.00 31.44 31.86 1f55 n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1f55 h LEU 32 N 0.00 0.00 -0.51 -4.62 6.46 -1.10 0.71 115.31 116.26 1f55 h LEU 32 Ca 0.00 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.59 1f55 h LEU 32 Cb 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1f55 h LEU 32 CO 0.00 0.00 -0.69 0.00 -0.62 0.00 0.00 178.44 177.13 1f55 h ALA 33 N 1.66 0.71 -0.22 1.25 0.00 -0.22 -3.01 119.26 119.43 1f55 h ALA 33 Ca 0.16 -0.60 0.06 0.00 0.00 0.00 0.00 54.91 54.53 1f55 h ALA 33 Cb 0.81 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1f55 h ALA 33 CO -0.00 0.78 0.42 1.15 0.00 0.00 0.00 179.25 181.60 1f55 h THR 34 N 0.19 0.18 -0.28 0.00 2.02 0.27 -0.84 112.91 114.45 1f55 h THR 34 Ca -0.02 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.24 1f55 h THR 34 Cb 1.24 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1f55 h THR 34 CO 0.11 0.00 0.62 1.62 0.37 0.00 0.00 175.52 178.24 1f55 h VAL 35 N 0.00 0.11 0.00 3.16 3.04 -1.63 0.61 116.25 121.53 1f55 h VAL 35 Ca 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 1f55 h VAL 35 Cb 0.95 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 1f55 h VAL 35 CO -0.00 0.00 0.00 0.24 -1.01 0.00 0.00 177.57 176.80 1f55 h MET 36 N 0.00 0.00 -0.90 4.17 2.86 -1.41 -2.94 114.93 116.71 1f55 h MET 36 Ca 0.13 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 58.01 1f55 h MET 36 Cb 1.38 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.90 1f55 h MET 36 CO -0.00 0.00 0.34 -0.09 1.06 0.00 0.00 176.91 178.22 1f55 h ARG 37 N 0.00 0.29 -0.00 1.72 9.65 0.01 1.94 114.38 127.98 1f55 h ARG 37 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1f55 h ARG 37 Cb 0.12 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1f55 h ARG 37 CO 0.00 0.19 -0.01 0.43 2.80 0.00 0.00 179.97 183.39 1f55 n SER 38 N -5.13 0.01 -1.28 -3.80 7.64 -1.11 -3.60 113.62 106.35 1f55 n SER 38 Ca 0.23 0.21 0.04 0.00 1.01 0.00 0.00 58.87 60.36 1f55 n SER 38 Cb 0.71 -0.40 0.07 0.00 -1.01 0.00 0.00 64.21 63.59 1f55 n SER 38 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1f55 n LEU 39 N -1.40 1.50 0.00 -3.43 -0.00 0.53 -5.02 117.00 109.19 1f55 n LEU 39 Ca 0.10 -2.56 0.00 0.00 -0.00 0.00 0.00 56.01 53.55 1f55 n LEU 39 Cb 0.30 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 1f55 n LEU 39 CO 0.25 0.77 0.00 0.61 -0.00 0.00 0.00 177.39 179.02 1f55 n GLY 40 N 0.03 0.41 3.53 -3.96 0.00 0.52 -4.92 105.19 100.80 1f55 n GLY 40 Ca 0.10 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 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 1.39 -2.65 0.99 7.94 -0.63 -4.49 117.00 119.55 1f55 n LEU 41 Ca 0.00 -0.50 -0.02 0.00 -1.11 0.00 0.00 56.01 54.37 1f55 n LEU 41 Cb 0.00 -1.34 0.10 0.00 0.53 0.00 0.00 43.42 42.71 1f55 n LEU 41 CO 0.00 -1.53 0.77 -0.24 -1.11 0.00 0.00 177.39 175.28 1f55 n SER 42 N 14.15 -1.06 -4.64 1.96 2.88 -1.26 -4.92 113.62 120.73 1f55 n SER 42 Ca 0.49 -1.60 -0.43 0.00 -1.33 0.00 0.00 58.87 56.00 1f55 n SER 42 Cb 0.36 1.04 -0.03 0.00 -0.75 0.00 0.00 64.21 64.84 1f55 n SER 42 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1f55 s PRO 43 N 0.01 4.09 0.28 -1.46 0.04 -1.26 -5.01 135.00 131.68 1f55 s PRO 43 Ca 0.18 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 1f55 s PRO 43 Cb 0.27 -3.71 -0.10 0.00 0.04 0.00 0.00 34.50 31.00 1f55 s PRO 43 CO -0.19 -0.79 1.25 -1.12 0.04 0.00 0.00 177.00 176.19 1f55 s SER 44 N 1.54 6.95 0.33 6.66 0.01 -1.26 -4.55 113.70 123.37 1f55 s SER 44 Ca 0.42 2.48 0.24 0.00 1.31 0.00 0.00 55.95 60.41 1f55 s SER 44 Cb -0.13 -2.63 1.12 0.00 0.21 0.00 0.00 66.02 64.58 1f55 s SER 44 CO 0.13 -0.42 1.17 -1.84 0.41 0.00 0.00 173.24 172.68 1f55 n GLU 45 N 1.47 -0.03 0.34 12.44 0.28 -1.26 0.96 120.64 134.84 1f55 n GLU 45 Ca 0.02 0.95 -0.17 0.00 -0.16 0.00 0.00 57.16 57.79 1f55 n GLU 45 Cb 0.43 -1.86 -0.09 0.00 1.43 0.00 0.00 31.44 31.35 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 1.21 -0.85 0.00 -1.84 0.00 -1.98 0.45 119.26 116.25 1f55 h ALA 46 Ca 0.66 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 55.27 1f55 h ALA 46 Cb 2.11 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 20.25 1f55 h ALA 46 CO -0.36 -0.98 -0.56 0.93 0.00 0.00 0.00 179.25 178.27 1f55 h GLU 47 N -0.85 0.00 0.28 0.00 4.39 0.26 0.02 114.58 118.68 1f55 h GLU 47 Ca -0.08 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1f55 h GLU 47 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1f55 h GLU 47 CO 0.12 0.56 -0.13 0.28 -1.16 0.00 0.00 179.01 178.68 1f55 h VAL 48 N 0.00 0.00 -0.68 3.13 2.07 -0.12 0.26 116.25 120.90 1f55 h VAL 48 Ca -0.01 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1f55 h VAL 48 Cb 1.04 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1f55 h VAL 48 CO 0.07 0.00 0.43 -1.13 0.02 0.00 0.00 177.57 176.96 1f55 h ASN 49 N -0.51 0.80 -0.49 0.57 -1.24 -0.18 -2.37 115.58 112.15 1f55 h ASN 49 Ca -0.04 -0.03 -0.04 0.00 0.71 0.00 0.00 56.30 56.90 1f55 h ASN 49 Cb 0.29 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.12 1f55 h ASN 49 CO 0.06 0.60 0.13 -0.78 -1.29 0.00 0.00 177.43 176.15 1f55 h ASP 50 N 0.93 0.73 -0.08 1.15 3.58 -1.01 0.44 116.42 122.15 1f55 h ASP 50 Ca 0.25 -0.22 0.02 0.00 0.42 0.00 0.00 57.03 57.50 1f55 h ASP 50 Cb -0.07 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 1f55 h ASP 50 CO -0.05 0.76 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.95 1f55 h LEU 51 N 0.67 -0.15 -1.11 2.28 3.38 -0.42 2.10 115.31 122.06 1f55 h LEU 51 Ca 0.16 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1f55 h LEU 51 Cb 0.30 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1f55 h LEU 51 CO -0.00 -0.06 -0.32 -0.03 0.09 0.00 0.00 178.44 178.11 1f55 h MET 52 N -0.04 0.22 0.14 1.13 4.05 -1.37 -2.44 114.93 116.61 1f55 h MET 52 Ca 0.05 -0.08 -0.21 0.00 -0.28 0.00 0.00 59.70 59.18 1f55 h MET 52 Cb 0.12 -0.01 0.02 0.00 -0.80 0.00 0.00 31.60 30.92 1f55 h MET 52 CO -0.11 0.52 -0.93 -0.97 0.23 0.00 0.00 176.91 175.65 1f55 h ASN 53 N 0.19 0.47 -0.58 1.39 -1.24 -0.15 -0.67 115.58 114.99 1f55 h ASN 53 Ca 0.03 -0.94 0.06 0.00 0.71 0.00 0.00 56.30 56.15 1f55 h ASN 53 Cb 0.67 -0.15 -0.03 0.00 0.73 0.00 0.00 38.32 39.53 1f55 h ASN 53 CO 0.05 1.44 0.38 -0.08 -1.29 0.00 0.00 177.43 177.93 1f55 h GLU 54 N -0.34 0.56 0.00 6.67 4.57 0.34 -1.44 114.58 124.94 1f55 h GLU 54 Ca -0.17 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1f55 h GLU 54 Cb 1.68 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.15 1f55 h GLU 54 CO 0.14 0.37 -1.14 1.51 -1.18 0.00 0.00 179.01 178.72 1f55 n ILE 55 N -4.47 0.34 -1.63 2.32 3.06 -0.92 -4.84 119.36 113.22 1f55 n ILE 55 Ca 0.08 -0.41 -0.40 0.00 -2.50 0.00 0.00 62.75 59.52 1f55 n ILE 55 Cb 0.22 -0.08 -0.03 0.00 0.54 0.00 0.00 39.64 40.29 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 -4.64 5.04 0.44 9.51 -1.08 -0.26 -4.66 116.67 121.02 1f55 s ASP 56 Ca 0.00 1.45 0.11 0.00 -0.52 0.00 0.00 52.55 53.59 1f55 s ASP 56 Cb 0.12 -2.51 0.96 0.00 -1.46 0.00 0.00 42.92 40.04 1f55 s ASP 56 CO 0.81 -2.36 2.03 -0.37 0.52 0.00 0.00 175.17 175.80 1f55 h VAL 57 N 7.35 1.10 0.00 1.11 -1.51 -1.88 -3.17 116.25 119.26 1f55 h VAL 57 Ca -0.33 -0.36 -0.02 0.00 -1.23 0.00 0.00 66.70 64.75 1f55 h VAL 57 Cb 1.24 0.95 -0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1f55 h VAL 57 CO 1.06 0.13 -1.36 -0.90 -1.23 0.00 0.00 177.57 175.27 1f55 n ASP 58 N -4.42 3.34 -1.12 4.19 5.68 -1.26 -5.06 116.55 117.90 1f55 n ASP 58 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1f55 n ASP 58 Cb 0.15 1.20 0.00 0.00 -1.14 0.00 0.00 41.12 41.33 1f55 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1f55 n GLY 59 N 2.19 0.02 0.89 6.12 0.00 -1.20 -5.01 105.19 108.20 1f55 n GLY 59 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.76 2.24 0.00 1.61 5.03 -1.26 -4.90 115.26 117.21 1f55 n ASN 60 Ca 0.00 -3.87 0.00 0.00 0.87 0.00 0.00 54.58 51.58 1f55 n ASN 60 Cb 0.37 -0.55 0.00 0.00 -1.02 0.00 0.00 39.78 38.59 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 -1.09 0.00 -3.57 3.10 8.25 -1.26 -4.89 115.22 115.77 1f55 n HIS 61 Ca 0.25 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.66 1f55 n HIS 61 Cb 0.81 -1.15 -0.02 0.00 1.12 0.00 0.00 29.99 30.75 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 -1.05 0.66 0.08 -0.41 -2.07 -1.26 -3.47 119.66 112.14 1f55 s GLN 62 Ca 0.00 -0.27 0.03 0.00 -1.82 0.00 0.00 55.36 53.30 1f55 s GLN 62 Cb 0.00 0.28 -0.03 0.00 -1.09 0.00 0.00 33.01 32.17 1f55 s GLN 62 CO 0.00 -0.29 -0.08 0.96 -1.32 0.00 0.00 175.29 174.56 1f55 s ILE 63 N -2.85 0.74 0.45 3.63 -5.25 0.24 -4.81 121.20 113.36 1f55 s ILE 63 Ca 0.08 -1.53 0.08 0.00 -0.99 0.00 0.00 60.65 58.29 1f55 s ILE 63 Cb -0.01 -1.20 0.01 0.00 2.95 0.00 0.00 42.46 44.22 1f55 s ILE 63 CO -0.06 -0.58 0.54 -1.61 -1.79 0.00 0.00 174.94 171.44 1f55 s GLU 64 N -2.66 2.64 0.00 0.37 2.02 -1.26 0.81 118.70 120.61 1f55 s GLU 64 Ca 0.02 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.58 1f55 s GLU 64 Cb -0.03 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.60 1f55 s GLU 64 CO -0.01 -0.36 0.84 0.34 0.02 0.00 0.00 175.26 176.09 1f55 n PHE 65 N -1.82 0.00 -0.25 1.61 7.35 -1.09 -0.93 117.46 122.33 1f55 n PHE 65 Ca 0.07 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.92 1f55 n PHE 65 Cb 0.60 -0.34 0.30 0.00 0.35 0.00 0.00 39.48 40.39 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 -2.14 0.04 -0.12 -2.13 2.88 -1.26 0.25 113.62 111.14 1f55 n SER 66 Ca 0.00 1.25 -0.09 0.00 -1.33 0.00 0.00 58.87 58.70 1f55 n SER 66 Cb 0.00 -0.51 -0.01 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 0.50 -0.74 -1.46 5.08 -1.39 -0.85 114.58 115.73 1f55 h GLU 67 Ca 0.51 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.93 1f55 h GLU 67 Cb 1.20 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.29 1f55 h GLU 67 CO -0.65 0.39 0.49 0.35 -1.00 0.00 0.00 179.01 178.59 1f55 h PHE 68 N 0.47 0.66 0.13 4.33 3.57 0.49 -1.97 116.94 124.62 1f55 h PHE 68 Ca 0.13 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1f55 h PHE 68 Cb 0.03 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1f55 h PHE 68 CO -0.03 0.30 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.22 1f55 h LEU 69 N 0.61 -0.15 -0.95 0.59 -0.00 -0.26 0.18 115.31 115.33 1f55 h LEU 69 Ca 0.35 -0.30 0.29 0.00 -0.00 0.00 0.00 57.88 58.21 1f55 h LEU 69 Cb 0.52 0.04 -0.15 0.00 -0.00 0.00 0.00 40.66 41.07 1f55 h LEU 69 CO -0.12 0.24 0.36 0.00 -0.00 0.00 0.00 178.44 178.92 1f55 h ALA 70 N 0.22 1.60 0.00 1.53 0.00 -0.44 1.01 119.26 123.18 1f55 h ALA 70 Ca -0.02 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1f55 h ALA 70 Cb 0.44 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1f55 h ALA 70 CO 0.03 -0.57 -0.60 1.25 0.00 0.00 0.00 179.25 179.36 1f55 h LEU 71 N 0.21 0.00 0.00 0.00 5.85 -1.35 -3.37 115.31 116.65 1f55 h LEU 71 Ca 0.65 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.37 1f55 h LEU 71 Cb 1.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1f55 h LEU 71 CO -0.68 0.11 0.00 0.23 -0.34 0.00 0.00 178.44 177.76 1f55 n MET 72 N -2.92 0.00 -2.99 1.25 2.81 0.34 -4.47 117.12 111.14 1f55 n MET 72 Ca 0.01 0.04 -0.44 0.00 -1.81 0.00 0.00 57.70 55.50 1f55 n MET 72 Cb 0.59 -0.68 -0.01 0.00 -0.71 0.00 0.00 33.22 32.41 1f55 n MET 72 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1f55 s SER 73 N -1.40 6.95 -0.16 7.83 0.01 -0.62 -4.75 113.70 121.55 1f55 s SER 73 Ca 0.00 -2.75 -0.10 0.00 1.31 0.00 0.00 55.95 54.42 1f55 s SER 73 Cb 0.00 -2.38 -0.23 0.00 0.21 0.00 0.00 66.02 63.62 1f55 s SER 73 CO 0.00 -0.80 0.24 -1.14 0.41 0.00 0.00 173.24 171.95 1f55 n ARG 74 N 5.60 0.70 -0.43 12.44 0.63 -1.26 -4.82 116.66 129.52 1f55 n ARG 74 Ca 0.31 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 1f55 n ARG 74 Cb 0.45 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.67 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 -3.72 0.00 -3.70 -0.14 6.02 -1.26 -5.13 117.38 109.45 1f55 n GLN 75 Ca -0.35 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.27 1f55 n GLN 75 Cb 0.95 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 32.09 1f55 n GLN 75 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1f55 s LEU 76 N 0.00 3.96 0.00 1.08 0.20 -1.26 -5.19 118.68 117.47 1f55 s LEU 76 Ca 0.00 -0.55 0.00 0.00 0.69 0.00 0.00 54.13 54.27 1f55 s LEU 76 Cb 0.00 -1.96 0.00 0.00 -0.43 0.00 0.00 46.19 43.80 1f55 s LEU 76 CO 0.00 -0.18 0.00 2.29 -0.29 0.00 0.00 176.35 178.17