#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 2.91 0.00 -3.46 0.15 -1.26 -5.13 113.70 106.91 1f55 s SER 2 Ca 0.00 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.89 1f55 s SER 2 Cb 0.00 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1f55 s SER 2 CO 0.00 0.09 0.00 -3.20 1.20 0.00 0.00 173.24 171.33 1f55 n ASN 3 N 0.80 0.00 0.00 5.45 2.85 -1.26 -5.16 115.26 117.94 1f55 n ASN 3 Ca -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 1f55 n ASN 3 Cb 0.54 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.56 1f55 n ASN 3 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1f55 n LEU 4 N 0.00 0.00 0.00 1.20 -0.00 -1.26 -4.81 117.00 112.13 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 -0.57 1.47 -2.24 -1.26 0.08 114.28 111.76 1f55 n THR 5 Ca 0.00 0.00 0.45 0.00 -2.27 0.00 0.00 64.05 62.23 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 0.02 -0.10 -0.78 4.11 -2.00 0.99 114.58 116.82 1f55 h GLU 6 Ca 0.00 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1f55 h GLU 6 Cb 0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1f55 h GLU 6 CO 0.00 0.02 -0.01 1.49 0.07 0.00 0.00 179.01 180.58 1f55 h GLU 7 N 0.02 0.18 -0.14 1.06 4.81 -0.75 0.39 114.58 120.15 1f55 h GLU 7 Ca 0.87 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.96 1f55 h GLU 7 Cb 3.17 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 32.54 1f55 h GLU 7 CO -0.21 0.46 -0.21 -0.56 -0.73 0.00 0.00 179.01 177.76 1f55 h GLN 8 N -0.11 0.39 0.27 1.92 3.07 0.12 -2.75 115.11 118.03 1f55 h GLN 8 Ca 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 58.65 58.53 1f55 h GLN 8 Cb 0.38 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.94 1f55 h GLN 8 CO 0.01 0.81 -0.34 0.82 0.09 0.00 0.00 178.83 180.22 1f55 h ILE 9 N -0.01 0.00 -0.86 1.86 2.04 -0.51 0.37 117.51 120.40 1f55 h ILE 9 Ca 0.01 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.07 1f55 h ILE 9 Cb 0.77 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.70 1f55 h ILE 9 CO 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 178.15 178.14 1f55 h ALA 10 N -1.13 0.83 -0.71 1.87 0.00 -0.99 0.82 119.26 119.94 1f55 h ALA 10 Ca -0.03 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1f55 h ALA 10 Cb 0.56 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1f55 h ALA 10 CO -0.08 -0.45 0.36 1.49 0.00 0.00 0.00 179.25 180.57 1f55 h GLU 11 N 0.04 1.02 0.06 0.00 4.81 -1.07 -2.85 114.58 116.60 1f55 h GLU 11 Ca 0.47 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1f55 h GLU 11 Cb 0.84 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1f55 h GLU 11 CO -0.82 0.79 -0.03 0.74 -0.73 0.00 0.00 179.01 178.96 1f55 h PHE 12 N 0.99 -0.08 -0.87 0.92 0.04 0.46 -2.70 116.94 115.71 1f55 h PHE 12 Ca 0.25 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 61.16 1f55 h PHE 12 Cb 0.09 0.02 -0.15 0.00 2.20 0.00 0.00 35.95 38.12 1f55 h PHE 12 CO 0.00 0.17 -0.36 0.87 -0.60 0.00 0.00 178.31 178.39 1f55 h LYS 13 N -0.32 -0.05 -0.52 1.51 1.57 -0.01 1.29 116.57 120.04 1f55 h LYS 13 Ca -0.01 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1f55 h LYS 13 Cb 0.28 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.54 1f55 h LYS 13 CO 0.01 -0.03 0.15 0.93 -0.57 0.00 0.00 179.45 179.94 1f55 h GLU 14 N -0.05 0.30 -0.12 3.15 4.39 -1.40 -1.59 114.58 119.26 1f55 h GLU 14 Ca 0.32 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 1f55 h GLU 14 Cb 0.59 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1f55 h GLU 14 CO -0.89 0.20 0.05 0.00 -1.16 0.00 0.00 179.01 177.20 1f55 h ALA 15 N 1.37 0.15 -0.35 3.43 0.00 0.11 -2.80 119.26 121.17 1f55 h ALA 15 Ca 0.26 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1f55 h ALA 15 Cb 0.32 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1f55 h ALA 15 CO -0.29 -0.27 -0.42 0.35 0.00 0.00 0.00 179.25 178.62 1f55 h PHE 16 N 0.04 -1.28 -0.85 0.00 3.57 0.21 0.22 116.94 118.85 1f55 h PHE 16 Ca 0.04 0.07 0.21 0.00 3.53 0.00 0.00 57.97 61.82 1f55 h PHE 16 Cb 0.15 0.61 -0.15 0.00 2.79 0.00 0.00 35.95 39.35 1f55 h PHE 16 CO -0.02 -0.35 0.04 0.00 -2.23 0.00 0.00 178.31 175.74 1f55 h ALA 17 N -0.32 0.97 -0.86 2.41 0.00 -1.29 1.31 119.26 121.47 1f55 h ALA 17 Ca 0.06 0.27 0.17 0.00 0.00 0.00 0.00 54.91 55.41 1f55 h ALA 17 Cb 0.43 0.46 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1f55 h ALA 17 CO -0.47 -0.47 0.57 -0.07 0.00 0.00 0.00 179.25 178.81 1f55 h LEU 18 N 0.09 0.48 -0.02 0.00 3.38 -0.33 1.15 115.31 120.07 1f55 h LEU 18 Ca 0.49 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.48 1f55 h LEU 18 Cb 0.93 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1f55 h LEU 18 CO -0.75 0.22 -0.07 -0.26 0.09 0.00 0.00 178.44 177.67 1f55 h PHE 19 N 0.50 0.10 -0.18 1.13 -1.00 0.26 -3.24 116.94 114.50 1f55 h PHE 19 Ca 0.44 -0.04 -0.11 0.00 2.81 0.00 0.00 57.97 61.07 1f55 h PHE 19 Cb 0.95 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.48 1f55 h PHE 19 CO -0.00 0.71 -0.35 0.22 -1.61 0.00 0.00 178.31 177.28 1f55 h ASP 20 N -0.54 0.40 0.00 2.17 3.58 -0.27 0.14 116.42 121.90 1f55 h ASP 20 Ca -0.00 -0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1f55 h ASP 20 Cb 0.71 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.65 1f55 h ASP 20 CO 0.01 0.72 0.00 0.29 -2.88 0.00 0.00 179.24 177.39 1f55 n LYS 21 N -4.07 -1.14 0.00 0.28 4.76 0.39 -4.61 118.16 113.77 1f55 n LYS 21 Ca -0.01 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 1f55 n LYS 21 Cb 0.45 -4.37 0.00 0.00 -1.84 0.00 0.00 35.03 29.28 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 -0.57 1.81 -0.95 4.39 8.00 -1.26 -5.01 116.55 122.95 1f55 n ASP 22 Ca 0.00 -0.04 -0.12 0.00 0.71 0.00 0.00 54.79 55.33 1f55 n ASP 22 Cb 0.29 0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 41.78 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 -0.63 -4.70 -0.15 -2.24 3.02 -1.26 -4.84 115.26 104.47 1f55 n ASN 23 Ca 0.00 0.31 0.01 0.00 -0.03 0.00 0.00 54.58 54.86 1f55 n ASN 23 Cb 0.00 -3.29 0.02 0.00 -0.61 0.00 0.00 39.78 35.90 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 -0.27 0.38 -0.23 6.41 5.03 -1.26 -4.81 115.26 120.51 1f55 n ASN 24 Ca -0.12 -2.01 -0.03 0.00 0.87 0.00 0.00 54.58 53.29 1f55 n ASN 24 Cb 0.44 -0.10 -0.01 0.00 -1.02 0.00 0.00 39.78 39.09 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 0.49 0.53 3.06 7.41 0.00 -1.26 -4.97 105.19 110.45 1f55 n GLY 25 Ca 0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.27 -0.09 0.03 1.61 0.15 -1.26 -3.50 113.70 108.37 1f55 s SER 26 Ca 0.00 0.12 0.08 0.00 0.70 0.00 0.00 55.95 56.85 1f55 s SER 26 Cb 0.00 0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 1f55 s SER 26 CO 0.00 -0.17 -0.21 -0.63 1.20 0.00 0.00 173.24 173.43 1f55 s ILE 27 N -0.46 2.56 0.00 6.45 1.01 0.14 -4.64 121.20 126.27 1f55 s ILE 27 Ca -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 60.65 59.39 1f55 s ILE 27 Cb -0.04 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.40 1f55 s ILE 27 CO 0.01 0.38 0.00 -1.20 0.00 0.00 0.00 174.94 174.13 1f55 n SER 28 N 1.75 1.92 -0.03 3.58 7.64 -1.26 -2.32 113.62 124.90 1f55 n SER 28 Ca -0.16 -0.78 -0.15 0.00 1.01 0.00 0.00 58.87 58.78 1f55 n SER 28 Cb 0.52 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 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 0.35 0.28 6.43 4.64 -1.84 -2.37 113.55 121.04 1f55 h SER 29 Ca 0.00 -0.68 -0.06 0.00 -0.47 0.00 0.00 61.79 60.59 1f55 h SER 29 Cb 0.00 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1f55 h SER 29 CO 0.00 0.98 -0.27 0.77 -0.87 0.00 0.00 176.83 177.44 1f55 h SER 30 N -0.24 0.00 0.02 4.97 4.64 -1.96 -2.51 113.55 118.47 1f55 h SER 30 Ca -0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1f55 h SER 30 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1f55 h SER 30 CO 0.06 0.27 -0.01 -0.33 -0.87 0.00 0.00 176.83 175.95 1f55 h GLU 31 N 0.00 -0.03 -1.33 4.77 5.08 -1.76 -2.17 114.58 119.15 1f55 h GLU 31 Ca -0.00 0.00 0.42 0.00 -1.00 0.00 0.00 59.36 58.78 1f55 h GLU 31 Cb 0.48 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.62 1f55 h GLU 31 CO 0.03 -0.02 0.86 1.25 -1.00 0.00 0.00 179.01 180.14 1f55 h LEU 32 N -0.10 0.24 -0.36 1.33 7.12 -0.15 1.07 115.31 124.45 1f55 h LEU 32 Ca -0.00 0.12 -0.19 0.00 0.13 0.00 0.00 57.88 57.94 1f55 h LEU 32 Cb 0.02 0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.26 1f55 h LEU 32 CO 0.00 -0.14 -0.72 0.00 -0.13 0.00 0.00 178.44 177.45 1f55 h ALA 33 N 1.56 0.54 -1.11 1.25 0.00 -1.52 -3.11 119.26 116.88 1f55 h ALA 33 Ca 0.80 -0.59 0.32 0.00 0.00 0.00 0.00 54.91 55.44 1f55 h ALA 33 Cb 2.53 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 20.22 1f55 h ALA 33 CO -0.37 0.74 1.10 1.15 0.00 0.00 0.00 179.25 181.86 1f55 h THR 34 N 0.36 0.09 -0.66 0.00 2.02 0.19 0.86 112.91 115.77 1f55 h THR 34 Ca -0.03 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 1f55 h THR 34 Cb 1.30 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1f55 h THR 34 CO 0.13 0.00 0.23 0.58 0.37 0.00 0.00 175.52 176.83 1f55 h VAL 35 N 0.00 1.24 0.00 3.16 2.07 -1.60 -1.75 116.25 119.38 1f55 h VAL 35 Ca 0.53 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1f55 h VAL 35 Cb 2.72 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1f55 h VAL 35 CO -0.01 0.31 0.24 0.24 0.02 0.00 0.00 177.57 178.37 1f55 h MET 36 N 0.97 0.00 -0.50 1.57 2.86 0.54 -1.03 114.93 119.34 1f55 h MET 36 Ca 0.22 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.81 1f55 h MET 36 Cb 0.24 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1f55 h MET 36 CO -0.01 0.00 0.13 -0.09 1.06 0.00 0.00 176.91 178.00 1f55 h ARG 37 N 0.00 0.79 -1.49 1.72 9.65 -1.43 0.54 114.38 124.16 1f55 h ARG 37 Ca 0.00 -0.19 0.45 0.00 -1.10 0.00 0.00 59.98 59.15 1f55 h ARG 37 Cb 0.47 -0.11 -0.09 0.00 -1.39 0.00 0.00 29.97 28.85 1f55 h ARG 37 CO 0.00 0.76 1.02 0.77 2.80 0.00 0.00 179.97 185.32 1f55 h SER 38 N 0.68 0.13 0.00 -3.80 0.02 -1.35 -3.34 113.55 105.89 1f55 h SER 38 Ca 0.16 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1f55 h SER 38 Cb 0.32 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1f55 h SER 38 CO -0.00 -0.07 0.00 0.18 -1.14 0.00 0.00 176.83 175.80 1f55 n LEU 39 N -4.35 0.00 -3.55 5.07 7.99 -0.98 -5.05 117.00 116.15 1f55 n LEU 39 Ca 0.36 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 56.07 1f55 n LEU 39 Cb 1.55 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 44.71 1f55 n LEU 39 CO 0.33 -0.41 -0.33 -0.83 -1.51 0.00 0.00 177.39 174.63 1f55 s GLY 40 N -2.97 0.51 -0.92 -0.72 0.00 0.17 -5.07 107.32 98.32 1f55 s GLY 40 Ca 0.00 -1.11 -0.25 0.00 0.00 0.00 0.00 44.72 43.36 1f55 s GLY 40 CO 0.00 2.06 2.00 -2.27 0.00 0.00 0.00 173.10 174.88 1f55 s LEU 41 N 2.08 3.11 -0.37 0.66 2.96 0.19 -4.51 118.68 122.81 1f55 s LEU 41 Ca 0.09 -0.71 0.12 0.00 -0.22 0.00 0.00 54.13 53.41 1f55 s LEU 41 Cb -0.16 -2.56 0.41 0.00 0.50 0.00 0.00 46.19 44.38 1f55 s LEU 41 CO -0.37 -2.94 1.34 -1.20 -1.32 0.00 0.00 176.35 171.87 1f55 n SER 42 N 14.62 -1.19 -0.01 3.68 7.64 -1.26 -4.93 113.62 132.16 1f55 n SER 42 Ca 0.41 -2.41 -0.17 0.00 1.01 0.00 0.00 58.87 57.70 1f55 n SER 42 Cb 0.46 0.67 -0.07 0.00 -1.01 0.00 0.00 64.21 64.26 1f55 n SER 42 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1f55 h PRO 43 N 1.93 0.76 -1.84 1.43 0.13 -1.92 -3.50 132.00 128.99 1f55 h PRO 43 Ca -0.29 -0.65 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 1f55 h PRO 43 Cb 1.28 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.56 1f55 h PRO 43 CO -0.01 1.26 -0.46 0.43 -0.23 0.00 0.00 178.00 178.99 1f55 n SER 44 N -3.91 -4.60 -0.26 1.44 7.64 -1.26 -2.83 113.62 109.84 1f55 n SER 44 Ca -0.08 0.71 0.08 0.00 1.01 0.00 0.00 58.87 60.59 1f55 n SER 44 Cb 0.77 -1.92 0.16 0.00 -1.01 0.00 0.00 64.21 62.21 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 -1.28 -0.06 -0.26 1.43 4.07 -1.26 0.13 120.64 123.41 1f55 n GLU 45 Ca 0.00 1.12 0.01 0.00 -0.06 0.00 0.00 57.16 58.23 1f55 n GLU 45 Cb 0.07 -1.73 0.08 0.00 -0.06 0.00 0.00 31.44 29.80 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 1.47 0.43 0.22 4.31 0.00 -1.98 0.92 119.26 124.63 1f55 h ALA 46 Ca 0.40 0.28 -0.31 0.00 0.00 0.00 0.00 54.91 55.28 1f55 h ALA 46 Cb 0.72 0.60 0.03 0.00 0.00 0.00 0.00 17.79 19.14 1f55 h ALA 46 CO -0.72 -0.44 -1.40 0.93 0.00 0.00 0.00 179.25 177.62 1f55 h GLU 47 N -0.02 0.47 0.40 0.00 4.39 0.12 -2.17 114.58 117.78 1f55 h GLU 47 Ca 0.35 -0.80 -0.02 0.00 0.34 0.00 0.00 59.36 59.22 1f55 h GLU 47 Cb 0.55 0.30 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1f55 h GLU 47 CO -0.76 1.39 -0.23 0.28 -1.16 0.00 0.00 179.01 178.52 1f55 h VAL 48 N 0.03 0.00 -0.73 3.13 2.07 0.67 0.20 116.25 121.61 1f55 h VAL 48 Ca -0.25 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.33 1f55 h VAL 48 Cb 2.05 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 1f55 h VAL 48 CO 0.23 0.00 0.43 -1.13 0.02 0.00 0.00 177.57 177.12 1f55 h ASN 49 N -0.59 0.65 0.06 0.57 -1.24 0.65 -2.50 115.58 113.18 1f55 h ASN 49 Ca -0.05 0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.00 1f55 h ASN 49 Cb 0.46 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 1f55 h ASN 49 CO 0.06 0.41 -0.14 -0.78 -1.29 0.00 0.00 177.43 175.70 1f55 h ASP 50 N 0.78 -0.40 -0.34 1.15 3.58 -1.25 0.24 116.42 120.18 1f55 h ASP 50 Ca 0.33 0.05 0.07 0.00 0.42 0.00 0.00 57.03 57.90 1f55 h ASP 50 Cb 0.19 0.16 -0.08 0.00 1.72 0.00 0.00 39.33 41.31 1f55 h ASP 50 CO -0.18 -0.21 -0.30 0.25 -2.88 0.00 0.00 179.24 175.92 1f55 h LEU 51 N -0.27 -1.00 0.08 2.28 7.12 -0.18 0.91 115.31 124.27 1f55 h LEU 51 Ca 0.03 0.18 -0.00 0.00 0.13 0.00 0.00 57.88 58.21 1f55 h LEU 51 Cb 0.30 0.47 0.00 0.00 -0.53 0.00 0.00 40.66 40.89 1f55 h LEU 51 CO -0.10 -0.31 -0.04 -0.03 -0.13 0.00 0.00 178.44 177.83 1f55 h MET 52 N -0.26 -0.11 -0.45 1.25 4.05 -1.19 -2.52 114.93 115.70 1f55 h MET 52 Ca 0.16 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.64 1f55 h MET 52 Cb 0.52 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 1f55 h MET 52 CO -0.49 0.04 0.30 -0.91 0.23 0.00 0.00 176.91 176.09 1f55 h ASN 53 N -0.24 0.35 -0.35 1.39 2.35 0.15 0.60 115.58 119.83 1f55 h ASN 53 Ca -0.01 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1f55 h ASN 53 Cb 0.20 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1f55 h ASN 53 CO 0.02 0.23 0.21 -0.08 -1.65 0.00 0.00 177.43 176.16 1f55 h GLU 54 N 0.40 0.47 -0.00 0.81 4.81 0.13 -2.59 114.58 118.61 1f55 h GLU 54 Ca 0.19 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1f55 h GLU 54 Cb 0.26 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1f55 h GLU 54 CO -0.05 0.36 -0.43 -0.89 -0.73 0.00 0.00 179.01 177.28 1f55 n ILE 55 N -4.80 0.00 -0.88 2.32 5.41 -0.80 -4.67 119.36 115.93 1f55 n ILE 55 Ca -0.01 -0.07 -0.41 0.00 1.00 0.00 0.00 62.75 63.27 1f55 n ILE 55 Cb 0.05 0.42 -0.10 0.00 -0.71 0.00 0.00 39.64 39.31 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 -1.05 1.62 -0.22 4.38 -0.08 0.20 -4.64 116.55 116.76 1f55 n ASP 56 Ca 0.09 -2.57 0.16 0.00 -1.51 0.00 0.00 54.79 50.96 1f55 n ASP 56 Cb 0.35 -0.87 0.48 0.00 2.34 0.00 0.00 41.12 43.42 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 5.05 0.76 0.05 5.18 -1.51 -1.84 -1.91 116.25 122.03 1f55 h VAL 57 Ca 0.29 -0.16 -0.33 0.00 -1.23 0.00 0.00 66.70 65.27 1f55 h VAL 57 Cb 0.73 0.25 -0.04 0.00 -2.13 0.00 0.00 31.29 30.10 1f55 h VAL 57 CO 1.89 0.09 -1.86 0.47 -1.23 0.00 0.00 177.57 176.92 1f55 n ASP 58 N -4.51 1.37 -0.49 4.19 8.00 -1.26 -5.02 116.55 118.83 1f55 n ASP 58 Ca 0.17 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1f55 n ASP 58 Cb 0.58 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 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 0.64 0.97 0.44 0.00 -0.72 -5.01 105.19 103.26 1f55 n GLY 59 Ca -0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.49 2.33 0.00 1.61 5.03 -1.26 -4.90 115.26 117.58 1f55 n ASN 60 Ca 0.00 -3.76 0.00 0.00 0.87 0.00 0.00 54.58 51.69 1f55 n ASN 60 Cb 0.21 -0.60 0.00 0.00 -1.02 0.00 0.00 39.78 38.37 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 -1.11 0.00 -3.86 3.10 8.25 -1.26 -4.90 115.22 115.45 1f55 n HIS 61 Ca 0.29 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.67 1f55 n HIS 61 Cb 0.93 -1.14 -0.02 0.00 1.12 0.00 0.00 29.99 30.89 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 -1.02 1.83 0.03 -0.41 1.11 -1.26 -4.54 119.66 115.39 1f55 s GLN 62 Ca 0.00 -1.04 -0.01 0.00 0.01 0.00 0.00 55.36 54.33 1f55 s GLN 62 Cb 0.00 0.61 -0.02 0.00 -1.01 0.00 0.00 33.01 32.59 1f55 s GLN 62 CO 0.00 -0.84 -0.02 0.96 0.01 0.00 0.00 175.29 175.40 1f55 s ILE 63 N -3.76 0.13 0.52 1.08 -5.25 -0.98 -4.58 121.20 108.37 1f55 s ILE 63 Ca 0.12 -1.11 0.09 0.00 -0.99 0.00 0.00 60.65 58.75 1f55 s ILE 63 Cb -0.06 -0.58 0.06 0.00 2.95 0.00 0.00 42.46 44.83 1f55 s ILE 63 CO 0.07 -0.61 0.71 -1.61 -1.79 0.00 0.00 174.94 171.71 1f55 s GLU 64 N -2.07 2.48 0.00 0.37 8.01 -1.26 0.26 118.70 126.50 1f55 s GLU 64 Ca -0.10 -1.52 0.00 0.00 0.01 0.00 0.00 54.97 53.36 1f55 s GLU 64 Cb -0.05 -2.67 0.00 0.00 -4.31 0.00 0.00 34.13 27.09 1f55 s GLU 64 CO -0.03 -0.65 0.91 0.34 0.01 0.00 0.00 175.26 175.83 1f55 n PHE 65 N -2.10 0.00 -0.26 1.61 7.35 -1.23 -1.39 117.46 121.44 1f55 n PHE 65 Ca 0.13 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.98 1f55 n PHE 65 Cb 0.61 -0.41 0.31 0.00 0.35 0.00 0.00 39.48 40.35 1f55 n PHE 65 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1f55 n SER 66 N -2.25 0.04 -0.26 -2.13 3.41 -1.26 0.26 113.62 111.43 1f55 n SER 66 Ca 0.00 1.31 -0.03 0.00 -0.26 0.00 0.00 58.87 59.89 1f55 n SER 66 Cb 0.00 -0.54 0.08 0.00 -0.26 0.00 0.00 64.21 63.49 1f55 n SER 66 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1f55 h GLU 67 N 0.00 0.88 -0.18 4.33 5.08 -1.55 -0.02 114.58 123.13 1f55 h GLU 67 Ca 0.54 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1f55 h GLU 67 Cb 1.26 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1f55 h GLU 67 CO -0.68 0.58 0.09 0.35 -1.00 0.00 0.00 179.01 178.35 1f55 h PHE 68 N 0.91 0.23 -0.19 4.33 3.57 0.43 -1.71 116.94 124.51 1f55 h PHE 68 Ca 0.29 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.60 1f55 h PHE 68 Cb 0.00 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1f55 h PHE 68 CO -0.04 0.17 -0.65 -0.07 -2.23 0.00 0.00 178.31 175.49 1f55 h LEU 69 N 0.24 0.81 -0.01 0.59 -0.00 -0.43 0.18 115.31 116.69 1f55 h LEU 69 Ca 0.06 -0.48 0.01 0.00 -0.00 0.00 0.00 57.88 57.47 1f55 h LEU 69 Cb 0.02 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.43 1f55 h LEU 69 CO -0.01 1.26 -0.06 0.00 -0.00 0.00 0.00 178.44 179.62 1f55 h ALA 70 N 0.75 -0.06 0.00 1.53 0.00 -0.32 -0.48 119.26 120.67 1f55 h ALA 70 Ca -0.02 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1f55 h ALA 70 Cb 1.25 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1f55 h ALA 70 CO 0.13 -0.56 -0.34 1.25 0.00 0.00 0.00 179.25 179.74 1f55 h LEU 71 N -0.11 0.00 0.00 0.00 6.46 -1.52 -3.39 115.31 116.76 1f55 h LEU 71 Ca 0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1f55 h LEU 71 Cb 0.15 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1f55 h LEU 71 CO -0.07 0.34 0.00 0.80 -0.62 0.00 0.00 178.44 178.88 1f55 n MET 72 N -3.20 0.00 0.00 1.25 1.56 0.63 -4.75 117.12 112.62 1f55 n MET 72 Ca 0.02 0.04 0.00 0.00 -0.27 0.00 0.00 57.70 57.50 1f55 n MET 72 Cb 0.66 -0.66 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1f55 n MET 72 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1f55 n SER 73 N -0.63 0.00 -0.96 6.12 2.88 -0.23 -4.87 113.62 115.92 1f55 n SER 73 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1f55 n SER 73 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 -1.79 0.00 -1.46 0.63 -1.26 -5.01 116.66 107.78 1f55 n ARG 74 Ca 0.00 1.26 0.00 0.00 -0.92 0.00 0.00 57.85 58.19 1f55 n ARG 74 Cb 0.00 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 30.65 1f55 n ARG 74 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1f55 n GLN 75 N -3.05 0.00 -2.72 -0.14 7.27 -1.26 -5.08 117.38 112.40 1f55 n GLN 75 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 56.98 1f55 n GLN 75 Cb 0.60 0.00 0.09 0.00 2.41 0.00 0.00 30.24 33.34 1f55 n GLN 75 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1f55 n LEU 76 N -0.05 -2.21 0.00 1.69 7.94 -1.26 -5.13 117.00 117.99 1f55 n LEU 76 Ca 0.00 -3.27 0.00 0.00 -1.11 0.00 0.00 56.01 51.63 1f55 n LEU 76 Cb 0.00 0.92 0.00 0.00 0.53 0.00 0.00 43.42 44.87 1f55 n LEU 76 CO 0.00 1.97 0.00 2.29 -1.11 0.00 0.00 177.39 180.54