#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 4.06 0.00 4.04 2.88 -1.26 -4.82 113.62 118.52 1f55 n SER 2 Ca 0.00 -2.84 0.00 0.00 -1.33 0.00 0.00 58.87 54.70 1f55 n SER 2 Cb 0.00 -1.64 0.00 0.00 -0.75 0.00 0.00 64.21 61.82 1f55 n SER 2 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1f55 n ASN 3 N 8.15 0.00 0.00 -3.46 5.03 -1.26 -5.15 115.26 118.57 1f55 n ASN 3 Ca 0.50 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.95 1f55 n ASN 3 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.19 1f55 n ASN 3 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1f55 n LEU 4 N 0.00 0.00 0.00 3.41 4.32 -1.26 -4.30 117.00 119.17 1f55 n LEU 4 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1f55 n LEU 4 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1f55 n LEU 4 CO 0.00 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.52 1f55 n THR 5 N 0.00 0.00 -0.61 -5.08 -2.24 -1.26 -0.56 114.28 104.53 1f55 n THR 5 Ca 0.00 0.00 0.49 0.00 -2.27 0.00 0.00 64.05 62.27 1f55 n THR 5 Cb 0.00 0.00 0.80 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.10 -0.78 4.11 -1.97 0.93 114.58 116.77 1f55 h GLU 6 Ca 0.00 0.00 -0.04 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 0.00 -0.11 1.49 0.07 0.00 0.00 179.01 180.46 1f55 h GLU 7 N 0.00 0.25 -0.11 1.06 4.57 -1.06 -0.97 114.58 118.32 1f55 h GLU 7 Ca 0.85 -0.14 -0.09 0.00 -1.18 0.00 0.00 59.36 58.80 1f55 h GLU 7 Cb 3.43 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 32.03 1f55 h GLU 7 CO -0.01 0.69 -0.30 -0.56 -1.18 0.00 0.00 179.01 177.65 1f55 h GLN 8 N -0.18 0.39 0.25 1.92 3.07 0.11 -2.74 115.11 117.94 1f55 h GLN 8 Ca 0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 58.65 58.47 1f55 h GLN 8 Cb 0.65 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.24 1f55 h GLN 8 CO 0.03 0.89 -0.33 0.82 0.09 0.00 0.00 178.83 180.33 1f55 h ILE 9 N -0.04 0.00 -0.82 1.86 2.04 -0.54 0.42 117.51 120.43 1f55 h ILE 9 Ca -0.01 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.03 1f55 h ILE 9 Cb 0.91 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.84 1f55 h ILE 9 CO 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 178.09 1f55 h ALA 10 N -1.13 0.67 -0.99 1.87 0.00 -1.26 0.96 119.26 119.38 1f55 h ALA 10 Ca -0.03 0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1f55 h ALA 10 Cb 0.54 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1f55 h ALA 10 CO -0.08 -0.43 0.64 1.49 0.00 0.00 0.00 179.25 180.88 1f55 h GLU 11 N 0.03 1.31 -0.25 0.00 4.57 -1.07 -2.39 114.58 116.78 1f55 h GLU 11 Ca 0.42 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.48 1f55 h GLU 11 Cb 0.70 -0.29 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1f55 h GLU 11 CO -0.80 0.87 0.02 0.74 -1.18 0.00 0.00 179.01 178.66 1f55 h PHE 12 N 1.34 0.46 -0.71 0.92 0.04 0.53 -2.75 116.94 116.77 1f55 h PHE 12 Ca 0.36 -0.07 0.12 0.00 2.80 0.00 0.00 57.97 61.18 1f55 h PHE 12 Cb -0.14 -0.12 -0.13 0.00 2.20 0.00 0.00 35.95 37.76 1f55 h PHE 12 CO 0.00 0.57 -0.34 0.87 -0.60 0.00 0.00 178.31 178.81 1f55 h LYS 13 N 0.22 -0.11 -0.51 1.51 1.79 0.32 1.01 116.57 120.80 1f55 h LYS 13 Ca 0.07 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.63 1f55 h LYS 13 Cb 0.37 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.99 1f55 h LYS 13 CO 0.01 -0.07 0.15 1.49 -1.08 0.00 0.00 179.45 179.95 1f55 h GLU 14 N -0.11 0.30 -0.01 3.15 4.81 -1.37 -1.45 114.58 119.90 1f55 h GLU 14 Ca 0.27 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1f55 h GLU 14 Cb 0.56 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1f55 h GLU 14 CO -0.77 0.20 0.01 0.00 -0.73 0.00 0.00 179.01 177.72 1f55 h ALA 15 N 1.36 0.02 -0.24 2.92 0.00 0.21 -2.76 119.26 120.77 1f55 h ALA 15 Ca 0.25 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1f55 h ALA 15 Cb 0.30 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1f55 h ALA 15 CO -0.28 -0.42 -0.52 0.35 0.00 0.00 0.00 179.25 178.37 1f55 h PHE 16 N -0.09 -1.58 -0.85 0.00 3.57 0.15 0.45 116.94 118.59 1f55 h PHE 16 Ca 0.01 0.07 0.20 0.00 3.53 0.00 0.00 57.97 61.77 1f55 h PHE 16 Cb 0.11 0.72 -0.16 0.00 2.79 0.00 0.00 35.95 39.42 1f55 h PHE 16 CO -0.04 -0.50 -0.07 0.00 -2.23 0.00 0.00 178.31 175.47 1f55 h ALA 17 N -0.25 0.80 -0.89 2.41 0.00 -1.22 0.90 119.26 121.01 1f55 h ALA 17 Ca 0.05 0.30 0.24 0.00 0.00 0.00 0.00 54.91 55.50 1f55 h ALA 17 Cb 0.61 0.55 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 1f55 h ALA 17 CO -0.48 -0.45 0.30 1.25 0.00 0.00 0.00 179.25 179.87 1f55 h LEU 18 N 0.04 0.12 -0.08 0.00 6.46 -0.61 0.15 115.31 121.38 1f55 h LEU 18 Ca 0.46 0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 58.38 1f55 h LEU 18 Cb 0.81 0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.96 1f55 h LEU 18 CO -0.81 -0.12 -0.03 -0.26 -0.62 0.00 0.00 178.44 176.60 1f55 h PHE 19 N 0.26 0.19 -0.38 1.25 0.04 0.11 -3.33 116.94 115.08 1f55 h PHE 19 Ca 0.57 -0.04 -0.59 0.00 2.80 0.00 0.00 57.97 60.70 1f55 h PHE 19 Cb 1.15 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 39.22 1f55 h PHE 19 CO -0.21 0.51 2.13 -3.47 -0.60 0.00 0.00 178.31 176.67 1f55 n ASP 20 N -4.77 3.68 -0.03 2.17 2.03 0.52 -3.25 116.55 116.90 1f55 n ASP 20 Ca -0.07 -2.79 0.22 0.00 0.52 0.00 0.00 54.79 52.67 1f55 n ASP 20 Cb 0.25 -1.59 0.49 0.00 -0.72 0.00 0.00 41.12 39.55 1f55 n ASP 20 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1f55 h LYS 21 N 7.86 0.00 0.00 -0.67 2.10 -1.68 2.06 116.57 126.25 1f55 h LYS 21 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 1f55 h LYS 21 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 1f55 h LYS 21 CO 1.60 0.00 -0.74 -0.44 -2.00 0.00 0.00 179.45 177.87 1f55 h ASP 22 N 0.00 0.00 -0.85 7.07 3.32 -1.86 -3.47 116.42 120.62 1f55 h ASP 22 Ca 0.32 -0.14 -0.37 0.00 0.02 0.00 0.00 57.03 56.87 1f55 h ASP 22 Cb 2.17 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 41.58 1f55 h ASP 22 CO -0.00 0.07 -0.33 0.59 -1.72 0.00 0.00 179.24 177.84 1f55 n ASN 23 N -2.35 -5.15 0.00 6.45 3.02 0.70 -4.81 115.26 113.11 1f55 n ASN 23 Ca 0.02 0.44 0.04 0.00 -0.03 0.00 0.00 54.58 55.05 1f55 n ASN 23 Cb 0.48 -4.23 0.22 0.00 -0.61 0.00 0.00 39.78 35.65 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 -0.89 0.00 0.00 6.41 5.03 -1.26 -4.79 115.26 119.76 1f55 n ASN 24 Ca -0.18 -1.63 0.00 0.00 0.87 0.00 0.00 54.58 53.65 1f55 n ASN 24 Cb 0.59 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.35 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 0.54 0.75 3.08 7.41 0.00 -1.26 -5.02 105.19 110.69 1f55 n GLY 25 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.51 0.88 -0.11 1.61 0.15 -1.26 -3.64 113.70 108.82 1f55 s SER 26 Ca 0.00 -0.63 0.02 0.00 0.70 0.00 0.00 55.95 56.04 1f55 s SER 26 Cb 0.00 0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.35 1f55 s SER 26 CO 0.00 -0.25 -0.17 -0.63 1.20 0.00 0.00 173.24 173.39 1f55 s ILE 27 N -1.77 2.71 0.32 6.45 1.01 0.07 -4.56 121.20 125.44 1f55 s ILE 27 Ca -0.07 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1f55 s ILE 27 Cb -0.07 -2.10 0.04 0.00 0.01 0.00 0.00 42.46 40.34 1f55 s ILE 27 CO -0.01 0.54 0.35 -1.20 0.00 0.00 0.00 174.94 174.63 1f55 n SER 28 N 3.35 1.57 0.00 3.58 7.64 -1.26 -2.20 113.62 126.29 1f55 n SER 28 Ca -0.18 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.73 1f55 n SER 28 Cb 0.53 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1f55 n SER 28 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1f55 n SER 29 N -2.29 0.00 -0.33 6.43 7.64 -1.24 -2.30 113.62 121.53 1f55 n SER 29 Ca 0.04 0.14 0.23 0.00 1.01 0.00 0.00 58.87 60.30 1f55 n SER 29 Cb 0.35 0.00 0.45 0.00 -1.01 0.00 0.00 64.21 63.99 1f55 n SER 29 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1f55 h SER 30 N 0.00 0.08 0.00 6.43 0.87 -1.95 -2.48 113.55 116.51 1f55 h SER 30 Ca 0.00 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1f55 h SER 30 Cb 0.00 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1f55 h SER 30 CO 0.00 -0.33 0.00 -0.62 -0.53 0.00 0.00 176.83 175.35 1f55 n GLU 31 N -5.29 0.00 -0.09 2.24 1.02 -1.14 0.45 120.64 117.85 1f55 n GLU 31 Ca 0.31 0.48 0.26 0.00 -0.02 0.00 0.00 57.16 58.19 1f55 n GLU 31 Cb 1.01 -1.05 0.68 0.00 -0.02 0.00 0.00 31.44 32.06 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 -0.78 -4.62 6.46 -1.05 0.91 115.31 116.24 1f55 h LEU 32 Ca 0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.67 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 -0.42 0.00 -0.62 0.00 0.00 178.44 177.40 1f55 h ALA 33 N 1.26 0.93 0.00 1.25 0.00 0.05 -2.88 119.26 119.87 1f55 h ALA 33 Ca 0.36 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1f55 h ALA 33 Cb 1.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1f55 h ALA 33 CO -0.00 0.53 0.00 2.41 0.00 0.00 0.00 179.25 182.19 1f55 n THR 34 N -3.50 1.04 -0.81 0.00 -1.04 0.32 -1.34 114.28 108.95 1f55 n THR 34 Ca 0.00 0.51 0.08 0.00 -2.04 0.00 0.00 64.05 62.60 1f55 n THR 34 Cb 0.56 -1.47 0.37 0.00 -1.82 0.00 0.00 70.33 67.97 1f55 n THR 34 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1f55 n VAL 35 N -2.15 2.39 0.80 12.58 0.31 -1.08 -4.19 118.33 126.99 1f55 n VAL 35 Ca 0.00 -1.38 0.09 0.00 -0.01 0.00 0.00 64.34 63.05 1f55 n VAL 35 Cb 0.11 -0.13 0.06 0.00 -0.91 0.00 0.00 33.84 32.97 1f55 n VAL 35 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1f55 n MET 36 N 0.69 1.63 -0.34 5.55 2.81 -0.45 -4.44 117.12 122.57 1f55 n MET 36 Ca 0.26 -1.42 0.22 0.00 -1.81 0.00 0.00 57.70 54.95 1f55 n MET 36 Cb 1.06 -1.36 0.45 0.00 -0.71 0.00 0.00 33.22 32.66 1f55 n MET 36 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1f55 h ARG 37 N 3.26 0.43 0.00 0.03 2.43 -1.75 0.43 114.38 119.22 1f55 h ARG 37 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1f55 h ARG 37 Cb 0.75 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1f55 h ARG 37 CO 0.00 0.29 -1.49 0.45 -1.51 0.00 0.00 179.97 177.70 1f55 n SER 38 N -4.85 0.46 -1.23 -3.80 2.88 -1.26 -3.79 113.62 102.02 1f55 n SER 38 Ca 0.28 -0.38 0.11 0.00 -1.33 0.00 0.00 58.87 57.55 1f55 n SER 38 Cb 0.88 1.45 0.29 0.00 -0.75 0.00 0.00 64.21 66.08 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 -1.96 3.57 0.00 2.46 7.94 0.51 -4.88 117.00 124.64 1f55 n LEU 39 Ca -0.00 -1.79 0.00 0.00 -1.11 0.00 0.00 56.01 53.11 1f55 n LEU 39 Cb 0.47 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 43.97 1f55 n LEU 39 CO 0.44 0.88 0.00 0.61 -1.11 0.00 0.00 177.39 178.21 1f55 n GLY 40 N 1.54 0.74 3.26 -3.96 0.00 0.12 -5.00 105.19 101.90 1f55 n GLY 40 Ca 0.22 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.80 -3.50 0.99 7.94 -0.74 -3.81 117.00 116.09 1f55 n LEU 41 Ca 0.00 -0.31 -0.19 0.00 -1.11 0.00 0.00 56.01 54.40 1f55 n LEU 41 Cb 0.00 -0.99 0.08 0.00 0.53 0.00 0.00 43.42 43.04 1f55 n LEU 41 CO 0.00 -3.40 0.11 -0.24 -1.11 0.00 0.00 177.39 172.75 1f55 n SER 42 N -3.01 -2.62 0.00 1.96 2.88 -1.26 -4.90 113.62 106.67 1f55 n SER 42 Ca 0.04 -0.64 -0.15 0.00 -1.33 0.00 0.00 58.87 56.79 1f55 n SER 42 Cb 0.55 -4.97 -0.04 0.00 -0.75 0.00 0.00 64.21 59.01 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 -2.02 0.66 -2.42 -1.46 0.13 -1.93 -3.50 132.00 121.47 1f55 h PRO 43 Ca -0.59 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.00 1f55 h PRO 43 Cb 1.35 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.59 1f55 h PRO 43 CO 0.52 1.16 -0.62 0.43 -0.23 0.00 0.00 178.00 179.26 1f55 n SER 44 N -3.90 -5.62 -0.26 1.44 7.64 -1.26 -2.46 113.62 109.20 1f55 n SER 44 Ca -0.06 1.09 0.08 0.00 1.01 0.00 0.00 58.87 60.99 1f55 n SER 44 Cb 0.73 -2.89 0.16 0.00 -1.01 0.00 0.00 64.21 61.21 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 -1.83 -0.06 -0.24 1.43 0.28 -1.26 0.10 120.64 119.07 1f55 n GLU 45 Ca 0.00 1.13 -0.02 0.00 -0.16 0.00 0.00 57.16 58.10 1f55 n GLU 45 Cb 0.22 -1.74 0.04 0.00 1.43 0.00 0.00 31.44 31.39 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 1.47 0.18 0.18 -1.84 0.00 -1.98 1.08 119.26 118.34 1f55 h ALA 46 Ca 0.40 0.22 -0.31 0.00 0.00 0.00 0.00 54.91 55.22 1f55 h ALA 46 Cb 0.74 0.72 0.03 0.00 0.00 0.00 0.00 17.79 19.28 1f55 h ALA 46 CO -0.72 -0.57 -1.34 0.93 0.00 0.00 0.00 179.25 177.54 1f55 h GLU 47 N -0.09 0.57 0.31 0.00 4.39 0.10 -2.08 114.58 117.79 1f55 h GLU 47 Ca 0.29 -0.85 -0.02 0.00 0.34 0.00 0.00 59.36 59.12 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 -0.74 1.40 -0.15 0.28 -1.16 0.00 0.00 179.01 178.64 1f55 h VAL 48 N 0.21 0.00 -0.96 3.13 2.07 0.79 -1.51 116.25 119.99 1f55 h VAL 48 Ca -0.21 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.41 1f55 h VAL 48 Cb 2.03 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 1f55 h VAL 48 CO 0.25 0.00 0.61 -1.13 0.02 0.00 0.00 177.57 177.32 1f55 h ASN 49 N -0.44 0.84 -0.77 0.57 -1.24 0.99 -0.81 115.58 114.72 1f55 h ASN 49 Ca -0.04 0.04 0.08 0.00 0.71 0.00 0.00 56.30 57.09 1f55 h ASN 49 Cb 0.32 -0.13 -0.07 0.00 0.73 0.00 0.00 38.32 39.18 1f55 h ASN 49 CO 0.07 0.45 0.43 -0.78 -1.29 0.00 0.00 177.43 176.31 1f55 h ASP 50 N 0.90 0.62 0.54 1.15 3.58 -1.24 0.30 116.42 122.27 1f55 h ASP 50 Ca 0.47 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.94 1f55 h ASP 50 Cb 0.53 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.51 1f55 h ASP 50 CO -0.23 0.37 -0.26 0.25 -2.88 0.00 0.00 179.24 176.48 1f55 h LEU 51 N 0.74 -0.62 -0.14 2.28 6.46 -0.07 -2.78 115.31 121.18 1f55 h LEU 51 Ca 0.36 -0.04 0.05 0.00 -0.12 0.00 0.00 57.88 58.13 1f55 h LEU 51 Cb 0.31 0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.34 1f55 h LEU 51 CO -0.23 -0.33 -0.22 0.24 -0.62 0.00 0.00 178.44 177.27 1f55 h MET 52 N -0.89 -0.27 -0.96 1.25 2.86 -1.16 -0.94 114.93 114.83 1f55 h MET 52 Ca -0.07 0.02 0.30 0.00 -2.06 0.00 0.00 59.70 57.88 1f55 h MET 52 Cb 0.62 0.06 -0.15 0.00 0.06 0.00 0.00 31.60 32.19 1f55 h MET 52 CO 0.12 -0.18 0.44 -0.97 1.06 0.00 0.00 176.91 177.38 1f55 h ASN 53 N -0.28 0.30 -0.66 1.22 -0.73 -0.92 2.12 115.58 116.64 1f55 h ASN 53 Ca 0.10 0.20 0.12 0.00 1.87 0.00 0.00 56.30 58.59 1f55 h ASN 53 Cb 0.43 0.20 -0.04 0.00 0.27 0.00 0.00 38.32 39.18 1f55 h ASN 53 CO -0.30 -0.16 0.44 -0.33 -0.37 0.00 0.00 177.43 176.70 1f55 h GLU 54 N 0.26 0.40 -0.02 6.67 5.08 -0.88 -2.01 114.58 124.09 1f55 h GLU 54 Ca 0.67 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 1f55 h GLU 54 Cb 1.50 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1f55 h GLU 54 CO -0.64 0.27 0.00 -0.89 -1.00 0.00 0.00 179.01 176.74 1f55 n ILE 55 N -4.47 0.03 -1.85 3.13 5.41 0.34 -4.85 119.36 117.10 1f55 n ILE 55 Ca 0.11 -0.51 -0.37 0.00 1.00 0.00 0.00 62.75 62.98 1f55 n ILE 55 Cb 0.43 1.15 -0.04 0.00 -0.71 0.00 0.00 39.64 40.46 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 0.43 3.39 -0.11 4.38 -0.08 0.63 -4.66 116.55 120.53 1f55 n ASP 56 Ca 0.05 -2.76 0.14 0.00 -1.51 0.00 0.00 54.79 50.71 1f55 n ASP 56 Cb 0.20 -1.55 0.51 0.00 2.34 0.00 0.00 41.12 42.63 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 5.26 0.84 0.00 5.18 -1.51 -1.86 -1.33 116.25 122.83 1f55 h VAL 57 Ca 0.37 -0.13 -0.20 0.00 -1.23 0.00 0.00 66.70 65.51 1f55 h VAL 57 Cb 0.81 0.43 -0.03 0.00 -2.13 0.00 0.00 31.29 30.36 1f55 h VAL 57 CO 1.58 0.07 -1.52 0.47 -1.23 0.00 0.00 177.57 176.94 1f55 n ASP 58 N -4.47 0.81 -1.25 4.19 8.00 -1.26 -5.00 116.55 117.58 1f55 n ASP 58 Ca 0.12 0.36 -0.01 0.00 0.71 0.00 0.00 54.79 55.97 1f55 n ASP 58 Cb 0.45 0.18 0.01 0.00 -0.02 0.00 0.00 41.12 41.74 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 1.44 0.47 0.73 0.44 0.00 -0.50 -4.99 105.19 102.78 1f55 n GLY 59 Ca -0.12 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.23 1.92 -0.03 1.61 6.94 -1.26 -4.92 115.26 118.29 1f55 n ASN 60 Ca -0.02 -3.84 -0.00 0.00 -0.02 0.00 0.00 54.58 50.70 1f55 n ASN 60 Cb 0.51 -0.51 -0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 -1.05 0.00 -3.67 -2.53 8.25 -1.26 -4.91 115.22 110.06 1f55 n HIS 61 Ca 0.20 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.52 1f55 n HIS 61 Cb 0.72 -1.70 -0.07 0.00 1.12 0.00 0.00 29.99 30.06 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 -1.71 0.85 0.06 -0.41 -0.21 -1.26 -3.65 119.66 113.33 1f55 s GLN 62 Ca 0.00 -0.12 0.04 0.00 0.02 0.00 0.00 55.36 55.30 1f55 s GLN 62 Cb 0.00 0.39 -0.03 0.00 1.00 0.00 0.00 33.01 34.37 1f55 s GLN 62 CO 0.00 -0.26 -0.12 0.96 -2.12 0.00 0.00 175.29 173.74 1f55 s ILE 63 N -1.63 0.96 0.62 1.08 -5.25 -0.94 -4.74 121.20 111.30 1f55 s ILE 63 Ca -0.10 -1.26 0.03 0.00 -0.99 0.00 0.00 60.65 58.32 1f55 s ILE 63 Cb -0.03 -0.96 0.12 0.00 2.95 0.00 0.00 42.46 44.54 1f55 s ILE 63 CO 0.04 -0.28 0.85 -0.62 -1.79 0.00 0.00 174.94 173.14 1f55 n GLU 64 N 1.30 0.17 0.00 0.37 1.02 -1.26 -0.75 120.64 121.49 1f55 n GLU 64 Ca -0.21 -2.56 0.00 0.00 -0.02 0.00 0.00 57.16 54.36 1f55 n GLU 64 Cb 0.54 -0.48 0.00 0.00 -0.02 0.00 0.00 31.44 31.48 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 -2.54 0.00 -0.25 -0.32 7.35 -1.24 -1.86 117.46 118.60 1f55 n PHE 65 Ca 0.15 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 57.01 1f55 n PHE 65 Cb 0.53 -0.44 0.32 0.00 0.35 0.00 0.00 39.48 40.24 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 -1.93 0.08 -0.11 -2.13 7.64 -1.26 0.26 113.62 116.17 1f55 n SER 66 Ca 0.00 1.24 -0.09 0.00 1.01 0.00 0.00 58.87 61.03 1f55 n SER 66 Cb 0.00 -0.52 -0.01 0.00 -1.01 0.00 0.00 64.21 62.67 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 0.48 -0.62 1.43 5.08 -1.82 -0.28 114.58 118.86 1f55 h GLU 67 Ca 0.53 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.93 1f55 h GLU 67 Cb 1.27 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1f55 h GLU 67 CO -0.63 0.41 0.41 0.35 -1.00 0.00 0.00 179.01 178.55 1f55 h PHE 68 N 0.43 0.45 0.10 4.33 3.57 0.42 -2.17 116.94 124.08 1f55 h PHE 68 Ca 0.12 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1f55 h PHE 68 Cb 0.07 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1f55 h PHE 68 CO -0.03 0.21 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.15 1f55 h LEU 69 N 0.42 -0.12 -0.98 0.59 -0.00 -0.27 0.19 115.31 115.15 1f55 h LEU 69 Ca 0.29 -0.44 0.32 0.00 -0.00 0.00 0.00 57.88 58.05 1f55 h LEU 69 Cb 0.55 0.03 -0.16 0.00 -0.00 0.00 0.00 40.66 41.09 1f55 h LEU 69 CO -0.08 0.42 0.46 0.00 -0.00 0.00 0.00 178.44 179.24 1f55 h ALA 70 N 0.05 1.81 0.02 1.53 0.00 -0.46 0.49 119.26 122.71 1f55 h ALA 70 Ca -0.01 0.22 -0.26 0.00 0.00 0.00 0.00 54.91 54.86 1f55 h ALA 70 Cb 0.54 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1f55 h ALA 70 CO 0.02 -0.63 -1.41 1.25 0.00 0.00 0.00 179.25 178.48 1f55 h LEU 71 N 0.21 0.08 0.00 0.00 5.85 -1.44 -3.40 115.31 116.61 1f55 h LEU 71 Ca 0.71 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.32 1f55 h LEU 71 Cb 1.65 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.66 1f55 h LEU 71 CO -0.67 1.10 0.00 0.23 -0.34 0.00 0.00 178.44 178.75 1f55 n MET 72 N -3.24 0.00 -0.91 1.25 2.81 0.16 -4.44 117.12 112.75 1f55 n MET 72 Ca -0.11 0.00 -0.36 0.00 -1.81 0.00 0.00 57.70 55.43 1f55 n MET 72 Cb 1.01 -0.93 0.07 0.00 -0.71 0.00 0.00 33.22 32.66 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 -0.47 -3.93 -4.12 7.83 7.64 -0.80 -2.30 113.62 117.47 1f55 n SER 73 Ca 0.00 0.12 -0.33 0.00 1.01 0.00 0.00 58.87 59.67 1f55 n SER 73 Cb 0.00 -0.81 -0.02 0.00 -1.01 0.00 0.00 64.21 62.37 1f55 n SER 73 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1f55 n ARG 74 N 0.99 -3.53 -0.00 1.43 0.63 -1.26 -4.89 116.66 110.03 1f55 n ARG 74 Ca 0.00 0.41 -0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1f55 n ARG 74 Cb 0.62 -5.02 -0.00 0.00 0.45 0.00 0.00 32.46 28.51 1f55 n ARG 74 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 1f55 h GLN 75 N -1.67 -0.02 -5.91 -0.14 4.15 -1.67 -3.46 115.11 106.40 1f55 h GLN 75 Ca -0.60 0.00 -0.61 0.00 0.77 0.00 0.00 58.65 58.21 1f55 h GLN 75 Cb 1.38 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.01 1f55 h GLN 75 CO 0.73 -0.01 -0.22 -1.17 -1.93 0.00 0.00 178.83 176.23 1f55 s LEU 76 N -4.96 4.43 0.00 -2.39 2.96 -1.26 -5.15 118.68 112.31 1f55 s LEU 76 Ca -0.00 0.88 0.00 0.00 -0.22 0.00 0.00 54.13 54.78 1f55 s LEU 76 Cb 0.00 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.14 1f55 s LEU 76 CO 0.01 0.27 0.00 0.29 -1.32 0.00 0.00 176.35 175.60