#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixe n LEU 0 N 0.00 4.68 -4.63 1.20 4.77 -1.26 -4.96 117.00 116.81 3ixe n LEU 0 Ca 0.00 -2.99 -0.34 0.00 -0.03 0.00 0.00 56.01 52.64 3ixe n LEU 0 Cb 0.00 -0.61 -0.10 0.00 -2.33 0.00 0.00 43.42 40.38 3ixe n LEU 0 CO 0.00 0.66 -0.32 -0.31 -1.33 0.00 0.00 177.39 176.09 3ixe s TYR 1 N -2.82 3.12 0.52 -1.77 2.02 -1.26 -5.09 117.35 112.07 3ixe s TYR 1 Ca 0.48 0.06 -0.21 0.00 -0.37 0.00 0.00 57.07 57.02 3ixe s TYR 1 Cb 0.38 -1.85 -0.08 0.00 -0.40 0.00 0.00 41.96 40.01 3ixe s TYR 1 CO 0.12 0.32 0.99 1.19 -1.57 0.00 0.00 175.55 176.60 3ixe n PHE 2 N 2.59 1.02 -4.75 2.71 3.72 -1.26 -5.01 117.46 116.48 3ixe n PHE 2 Ca -0.18 0.48 -0.24 0.00 -0.05 0.00 0.00 57.45 57.46 3ixe n PHE 2 Cb 0.53 -2.19 -0.15 0.00 -0.94 0.00 0.00 39.48 36.73 3ixe n PHE 2 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3ixe s GLN 3 N -2.39 1.40 0.20 -1.08 -1.52 -1.26 -5.14 119.66 109.87 3ixe s GLN 3 Ca 0.69 -0.56 -0.02 0.00 -1.95 0.00 0.00 55.36 53.52 3ixe s GLN 3 Cb -0.48 -1.31 -0.05 0.00 -0.22 0.00 0.00 33.01 30.96 3ixe s GLN 3 CO 0.52 0.30 0.41 0.20 -0.25 0.00 0.00 175.29 176.47 3ixe s GLY 4 N -0.22 1.93 0.00 3.09 0.00 -1.26 -5.02 107.32 105.83 3ixe s GLY 4 Ca 0.03 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.03 3ixe s GLY 4 CO 0.00 -0.65 0.39 -1.14 0.00 0.00 0.00 173.10 171.70 3ixe n SER 5 N -0.49 0.29 -4.71 1.64 3.41 -1.26 -5.09 113.62 107.41 3ixe n SER 5 Ca -0.04 -1.11 -0.43 0.00 -0.26 0.00 0.00 58.87 57.03 3ixe n SER 5 Cb 0.53 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 3ixe n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ixe n ALA 6 N -0.05 1.74 -2.61 7.33 0.00 -1.26 -5.01 120.51 120.65 3ixe n ALA 6 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 53.44 53.53 3ixe n ALA 6 Cb 0.35 -2.35 -0.09 0.00 0.00 0.00 0.00 19.45 17.35 3ixe n ALA 6 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3ixe s ASN 7 N 0.32 4.59 0.21 0.00 0.02 -1.26 -5.10 114.94 113.73 3ixe s ASN 7 Ca 0.65 -0.29 -0.31 0.00 -1.02 0.00 0.00 52.86 51.89 3ixe s ASN 7 Cb -0.58 -0.97 -0.10 0.00 0.02 0.00 0.00 41.25 39.62 3ixe s ASN 7 CO 0.50 0.20 1.52 0.00 0.02 0.00 0.00 177.10 179.34 3ixe s ALA 8 N -1.20 3.71 0.21 0.60 0.00 -1.26 -5.02 121.76 118.80 3ixe s ALA 8 Ca 0.22 1.37 0.05 0.00 0.00 0.00 0.00 51.96 53.60 3ixe s ALA 8 Cb -0.11 -3.60 -0.05 0.00 0.00 0.00 0.00 23.12 19.36 3ixe s ALA 8 CO 0.14 -0.78 -0.06 0.14 0.00 0.00 0.00 175.76 175.20 3ixe s VAL 9 N 0.57 1.29 0.08 0.00 -7.23 -1.26 -4.06 120.40 109.79 3ixe s VAL 9 Ca 0.65 -2.08 -0.31 0.00 -1.81 0.00 0.00 61.98 58.43 3ixe s VAL 9 Cb -0.43 -2.19 -0.07 0.00 0.56 0.00 0.00 36.38 34.24 3ixe s VAL 9 CO 0.38 -0.47 1.36 0.00 -0.31 0.00 0.00 175.10 176.05 3ixe h GLN 11 N 6.99 0.64 0.06 0.00 5.75 -0.76 -0.03 115.11 127.75 3ixe h GLN 11 Ca -0.41 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 57.96 3ixe h GLN 11 Cb 1.20 -0.14 0.01 0.00 1.07 0.00 0.00 27.48 29.62 3ixe h GLN 11 CO 0.86 0.42 -0.38 -0.09 -2.65 0.00 0.00 178.83 177.00 3ixe h ARG 12 N 0.66 0.15 -0.00 1.69 2.43 -1.92 -3.40 114.38 113.99 3ixe h ARG 12 Ca 0.46 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3ixe h ARG 12 Cb 0.62 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3ixe h ARG 12 CO -0.34 1.10 -0.41 0.00 -1.51 0.00 0.00 179.97 178.80 3ixe n GLN 14 N -1.11 -1.13 -2.37 0.00 1.13 -0.03 -4.97 117.38 108.90 3ixe n GLN 14 Ca 0.02 0.28 -0.31 0.00 -1.94 0.00 0.00 57.00 55.05 3ixe n GLN 14 Cb 0.15 -4.27 -0.02 0.00 0.11 0.00 0.00 30.24 26.21 3ixe n GLN 14 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ixe s ALA 15 N -1.43 3.14 0.99 -1.58 0.00 -1.26 -4.63 121.76 116.98 3ixe s ALA 15 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.83 3ixe s ALA 15 Cb 0.00 -3.01 0.18 0.00 0.00 0.00 0.00 23.12 20.30 3ixe s ALA 15 CO 0.00 -0.31 1.17 1.03 0.00 0.00 0.00 175.76 177.66 3ixe s ARG 16 N -4.32 0.50 -0.11 0.00 0.52 -1.26 -1.22 118.95 113.05 3ixe s ARG 16 Ca 0.56 0.05 -0.02 0.00 -0.52 0.00 0.00 55.73 55.80 3ixe s ARG 16 Cb -0.10 -1.79 -0.03 0.00 0.52 0.00 0.00 34.95 33.55 3ixe s ARG 16 CO 0.37 -2.58 -0.04 -0.06 0.02 0.00 0.00 175.30 173.01 3ixe s PHE 17 N -3.36 3.02 0.44 -0.53 0.08 -1.26 -4.81 117.98 111.56 3ixe s PHE 17 Ca 0.68 -0.11 -0.23 0.00 0.12 0.00 0.00 56.93 57.39 3ixe s PHE 17 Cb -0.11 -1.84 -0.08 0.00 -0.57 0.00 0.00 43.02 40.41 3ixe s PHE 17 CO 0.54 0.18 1.10 -1.54 -0.10 0.00 0.00 175.22 175.39 3ixe s SER 18 N -0.26 6.46 0.45 1.36 1.04 -1.26 -4.94 113.70 116.56 3ixe s SER 18 Ca 0.04 2.13 0.31 0.00 0.48 0.00 0.00 55.95 58.91 3ixe s SER 18 Cb -0.13 -2.59 1.65 0.00 0.10 0.00 0.00 66.02 65.06 3ixe s SER 18 CO 0.02 -0.71 1.94 -0.65 0.98 0.00 0.00 173.24 174.82 3ixe h PRO 19 N 2.18 0.00 0.00 4.02 0.11 -2.04 -2.88 132.00 133.39 3ixe h PRO 19 Ca -0.49 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 3ixe h PRO 19 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3ixe h PRO 19 CO 0.61 0.00 -1.13 0.00 -0.21 0.00 0.00 178.00 177.27 3ixe h ALA 20 N 2.01 0.60 -2.43 -0.75 0.00 -2.06 -3.48 119.26 113.15 3ixe h ALA 20 Ca 0.00 -0.42 -0.52 0.00 0.00 0.00 0.00 54.91 53.97 3ixe h ALA 20 Cb 0.02 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3ixe h ALA 20 CO 0.00 0.46 0.01 -1.83 0.00 0.00 0.00 179.25 177.89 3ixe s GLU 21 N -3.13 3.95 -0.08 0.00 -1.05 -1.09 -5.04 118.70 112.27 3ixe s GLU 21 Ca -0.01 0.54 -0.29 0.00 -0.15 0.00 0.00 54.97 55.05 3ixe s GLU 21 Cb 0.09 -2.59 -0.02 0.00 -0.44 0.00 0.00 34.13 31.17 3ixe s GLU 21 CO 0.79 0.26 0.99 0.50 0.95 0.00 0.00 175.26 178.75 3ixe s ARG 22 N -2.74 4.46 -0.24 -4.83 3.52 -1.26 -4.92 118.95 112.94 3ixe s ARG 22 Ca 0.49 1.37 -0.17 0.00 -0.13 0.00 0.00 55.73 57.30 3ixe s ARG 22 Cb -0.12 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 3ixe s ARG 22 CO 0.19 -0.23 0.45 0.42 -0.81 0.00 0.00 175.30 175.32 3ixe s ILE 23 N 1.71 5.13 -0.05 4.11 1.01 -1.26 -4.27 121.20 127.58 3ixe s ILE 23 Ca 0.49 0.76 -0.30 0.00 0.00 0.00 0.00 60.65 61.60 3ixe s ILE 23 Cb -0.19 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 3ixe s ILE 23 CO 0.21 0.16 1.16 -0.69 0.00 0.00 0.00 174.94 175.77 3ixe s VAL 24 N 1.91 4.35 -0.29 2.92 1.01 -0.35 -4.87 120.40 125.07 3ixe s VAL 24 Ca 0.19 1.67 -0.08 0.00 0.00 0.00 0.00 61.98 63.76 3ixe s VAL 24 Cb -0.15 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 3ixe s VAL 24 CO 0.09 0.02 0.10 0.21 0.00 0.00 0.00 175.10 175.51 3ixe s ASN 25 N 1.36 5.24 -0.30 3.32 3.84 -1.26 -0.89 114.94 126.26 3ixe s ASN 25 Ca 0.55 -0.58 0.02 0.00 0.21 0.00 0.00 52.86 53.06 3ixe s ASN 25 Cb -0.24 -1.92 0.09 0.00 -0.55 0.00 0.00 41.25 38.63 3ixe s ASN 25 CO 0.22 -0.17 0.03 -0.55 -2.79 0.00 0.00 177.10 173.84 3ixe s SER 26 N 1.55 4.25 -1.39 -4.21 0.15 -0.52 -4.79 113.70 108.74 3ixe s SER 26 Ca 0.04 -1.67 -0.06 0.00 0.70 0.00 0.00 55.95 54.96 3ixe s SER 26 Cb -0.17 -1.26 0.03 0.00 -1.71 0.00 0.00 66.02 62.91 3ixe s SER 26 CO 0.04 -0.34 0.84 0.59 1.20 0.00 0.00 173.24 175.57 3ixe n ASN 27 N 4.56 -2.87 0.00 5.45 3.02 -1.26 -2.47 115.26 121.70 3ixe n ASN 27 Ca -0.03 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 3ixe n ASN 27 Cb 0.43 -4.08 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 3ixe n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ixe n GLY 28 N -1.63 1.03 3.64 7.41 0.00 -1.26 -5.04 105.19 109.33 3ixe n GLY 28 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 3ixe n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ixe s GLU 29 N -0.40 3.16 -0.10 1.61 2.02 -1.03 -5.10 118.70 118.86 3ixe s GLU 29 Ca 0.00 -0.43 -0.12 0.00 0.02 0.00 0.00 54.97 54.44 3ixe s GLU 29 Cb 0.00 -2.83 -0.05 0.00 0.10 0.00 0.00 34.13 31.35 3ixe s GLU 29 CO 0.00 0.59 0.27 -0.51 0.02 0.00 0.00 175.26 175.63 3ixe s LEU 30 N -0.57 4.36 0.01 1.80 1.02 -1.26 -1.43 118.68 122.60 3ixe s LEU 30 Ca 0.09 0.61 0.00 0.00 0.02 0.00 0.00 54.13 54.86 3ixe s LEU 30 Cb -0.12 -2.32 -0.01 0.00 0.02 0.00 0.00 46.19 43.76 3ixe s LEU 30 CO 0.02 0.27 -0.02 -0.31 0.02 0.00 0.00 176.35 176.33 3ixe s TYR 31 N -0.48 0.20 0.49 0.29 2.02 -0.07 0.02 117.35 119.82 3ixe s TYR 31 Ca 0.18 -0.17 -0.24 0.00 -0.37 0.00 0.00 57.07 56.46 3ixe s TYR 31 Cb -0.14 -0.13 -0.07 0.00 -0.40 0.00 0.00 41.96 41.22 3ixe s TYR 31 CO 0.06 -0.05 1.40 0.72 -1.57 0.00 0.00 175.55 176.11 3ixe n HIS 32 N 2.60 2.52 -0.28 2.71 8.25 -1.26 -1.21 115.22 128.55 3ixe n HIS 32 Ca -0.16 0.44 0.07 0.00 -0.26 0.00 0.00 57.72 57.81 3ixe n HIS 32 Cb 0.58 -2.42 0.22 0.00 1.12 0.00 0.00 29.99 29.49 3ixe n HIS 32 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 3ixe h GLU 33 N 1.96 0.47 0.00 -0.41 5.08 -1.95 0.17 114.58 119.89 3ixe h GLU 33 Ca -0.51 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3ixe h GLU 33 Cb 1.28 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3ixe h GLU 33 CO 0.59 0.31 0.00 -2.39 -1.00 0.00 0.00 179.01 176.53 3ixe n HIS 34 N -4.97 0.00 -0.03 4.33 1.44 -1.26 -2.90 115.22 111.83 3ixe n HIS 34 Ca 0.16 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.90 3ixe n HIS 34 Cb 0.46 -0.12 -0.14 0.00 0.12 0.00 0.00 29.99 30.32 3ixe n HIS 34 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3ixe n PHE 36 N -2.30 3.30 -4.07 0.00 7.35 -0.58 -4.88 117.46 116.28 3ixe n PHE 36 Ca -0.12 -2.88 -0.10 0.00 -0.76 0.00 0.00 57.45 53.59 3ixe n PHE 36 Cb 0.67 -2.17 -0.08 0.00 0.35 0.00 0.00 39.48 38.24 3ixe n PHE 36 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3ixe s VAL 37 N 1.44 0.06 0.25 -2.13 -7.23 -1.26 -4.50 120.40 107.03 3ixe s VAL 37 Ca 0.42 -1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 58.63 3ixe s VAL 37 Cb 0.10 -2.06 -0.10 0.00 0.56 0.00 0.00 36.38 34.88 3ixe s VAL 37 CO -0.02 -0.27 1.44 0.00 -0.31 0.00 0.00 175.10 175.94 3ixe h ALA 39 N 4.99 1.43 0.03 0.00 0.00 -1.10 0.15 119.26 124.77 3ixe h ALA 39 Ca -0.46 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.09 3ixe h ALA 39 Cb 1.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3ixe h ALA 39 CO 0.77 0.30 -0.73 0.37 0.00 0.00 0.00 179.25 179.96 3ixe h GLN 40 N 0.00 0.07 0.00 0.00 5.75 -1.91 -3.40 115.11 115.61 3ixe h GLN 40 Ca -0.00 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 3ixe h GLN 40 Cb 0.47 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.06 3ixe h GLN 40 CO 0.03 1.05 -0.71 0.00 -2.65 0.00 0.00 178.83 176.56 3ixe n PHE 42 N -1.35 0.00 -3.48 0.00 3.72 0.04 -4.98 117.46 111.41 3ixe n PHE 42 Ca 0.03 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.13 3ixe n PHE 42 Cb 0.23 -1.82 -0.04 0.00 -0.94 0.00 0.00 39.48 36.91 3ixe n PHE 42 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3ixe s ARG 43 N -2.04 3.67 0.55 -1.08 1.81 -1.26 -4.64 118.95 115.96 3ixe s ARG 43 Ca 0.00 0.03 -0.21 0.00 -1.72 0.00 0.00 55.73 53.83 3ixe s ARG 43 Cb 0.00 -2.71 -0.06 0.00 -0.45 0.00 0.00 34.95 31.73 3ixe s ARG 43 CO 0.00 0.32 1.17 -2.30 -0.68 0.00 0.00 175.30 173.81 3ixe n PRO 44 N -0.41 1.35 -2.22 3.54 -0.02 -1.26 -1.53 135.00 134.45 3ixe n PRO 44 Ca -0.01 0.50 -0.43 0.00 -2.02 0.00 0.00 63.50 61.54 3ixe n PRO 44 Cb 0.53 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 3ixe n PRO 44 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3ixe s PHE 45 N -1.36 2.46 0.17 6.00 0.08 -1.26 -4.85 117.98 119.21 3ixe s PHE 45 Ca 0.72 0.63 -0.33 0.00 0.12 0.00 0.00 56.93 58.06 3ixe s PHE 45 Cb -0.44 -3.70 -0.13 0.00 -0.57 0.00 0.00 43.02 38.18 3ixe s PHE 45 CO 0.49 -2.73 1.65 -2.30 -0.10 0.00 0.00 175.22 172.24 3ixe n PRO 46 N 6.74 2.42 -1.20 0.24 -0.02 -1.26 -1.33 135.00 140.59 3ixe n PRO 46 Ca 0.15 0.87 -0.07 0.00 -2.02 0.00 0.00 63.50 62.44 3ixe n PRO 46 Cb 0.44 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.21 3ixe n PRO 46 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ixe n GLU 47 N 3.79 -1.81 -0.97 -0.52 -0.58 -1.26 -2.15 120.64 117.15 3ixe n GLU 47 Ca 0.17 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.65 3ixe n GLU 47 Cb 0.31 -5.19 0.00 0.00 -0.57 0.00 0.00 31.44 26.00 3ixe n GLU 47 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ixe n GLY 48 N 0.51 0.73 3.67 0.62 0.00 -0.44 -5.00 105.19 105.29 3ixe n GLY 48 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3ixe n GLY 48 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ixe s LEU 49 N 0.00 4.17 0.07 0.99 2.96 -0.91 -4.95 118.68 121.01 3ixe s LEU 49 Ca 0.00 1.38 0.01 0.00 -0.22 0.00 0.00 54.13 55.30 3ixe s LEU 49 Cb 0.00 -3.47 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 3ixe s LEU 49 CO 0.00 -0.53 -0.06 0.72 -1.32 0.00 0.00 176.35 175.17 3ixe s PHE 50 N 2.53 0.73 -0.09 5.38 -0.12 -1.26 -4.38 117.98 120.77 3ixe s PHE 50 Ca 0.44 -0.86 0.04 0.00 -0.05 0.00 0.00 56.93 56.50 3ixe s PHE 50 Cb -0.17 -0.45 -0.00 0.00 -0.63 0.00 0.00 43.02 41.78 3ixe s PHE 50 CO 0.12 -0.20 -0.23 0.71 -0.05 0.00 0.00 175.22 175.57 3ixe s TYR 51 N -3.19 2.46 -0.11 3.49 2.02 0.13 -4.91 117.35 117.24 3ixe s TYR 51 Ca 0.05 -0.98 -0.25 0.00 -0.37 0.00 0.00 57.07 55.53 3ixe s TYR 51 Cb 0.02 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.91 3ixe s TYR 51 CO -0.05 -0.39 0.78 -1.21 -1.57 0.00 0.00 175.55 173.11 3ixe s GLU 52 N 0.31 4.37 -0.04 -0.62 0.41 -1.26 -0.32 118.70 121.55 3ixe s GLU 52 Ca -0.17 0.96 -0.02 0.00 -0.41 0.00 0.00 54.97 55.34 3ixe s GLU 52 Cb -0.17 -3.51 0.03 0.00 -1.78 0.00 0.00 34.13 28.69 3ixe s GLU 52 CO 0.08 -0.14 0.06 0.12 -0.49 0.00 0.00 175.26 174.89 3ixe s PHE 53 N 1.49 0.07 -1.47 1.61 5.36 0.59 -4.90 117.98 120.73 3ixe s PHE 53 Ca 0.38 0.24 -0.01 0.00 -0.96 0.00 0.00 56.93 56.58 3ixe s PHE 53 Cb -0.17 -0.47 0.01 0.00 -0.34 0.00 0.00 43.02 42.05 3ixe s PHE 53 CO 0.16 -0.18 0.31 0.39 -1.46 0.00 0.00 175.22 174.44 3ixe n GLU 54 N 5.21 -2.58 -0.98 10.12 1.02 -1.26 -1.55 120.64 130.62 3ixe n GLU 54 Ca -0.05 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 3ixe n GLU 54 Cb 0.50 -4.28 0.00 0.00 -0.02 0.00 0.00 31.44 27.64 3ixe n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ixe n GLY 55 N -2.12 0.86 3.45 0.62 0.00 -1.26 -5.02 105.19 101.72 3ixe n GLY 55 Ca -0.30 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 3ixe n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ixe s ARG 56 N -0.06 1.63 -0.11 1.61 0.52 -0.60 -5.14 118.95 116.80 3ixe s ARG 56 Ca 0.00 -1.44 -0.03 0.00 -0.52 0.00 0.00 55.73 53.74 3ixe s ARG 56 Cb 0.00 -1.92 -0.03 0.00 0.52 0.00 0.00 34.95 33.51 3ixe s ARG 56 CO 0.00 0.41 0.01 0.15 0.02 0.00 0.00 175.30 175.89 3ixe s LYS 57 N -2.62 3.25 0.03 3.54 1.02 -1.26 -0.30 119.74 123.40 3ixe s LYS 57 Ca 0.21 -0.41 0.03 0.00 0.02 0.00 0.00 55.97 55.81 3ixe s LYS 57 Cb -0.08 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.33 3ixe s LYS 57 CO 0.11 0.56 -0.09 0.71 -0.92 0.00 0.00 175.35 175.72 3ixe s TYR 58 N -0.49 0.79 0.85 3.18 2.02 0.56 -0.40 117.35 123.86 3ixe s TYR 58 Ca 0.09 -0.36 -0.11 0.00 -0.37 0.00 0.00 57.07 56.31 3ixe s TYR 58 Cb -0.12 -0.48 0.10 0.00 -0.40 0.00 0.00 41.96 41.07 3ixe s TYR 58 CO 0.02 -0.03 1.09 0.00 -1.57 0.00 0.00 175.55 175.07 3ixe h GLU 60 N -1.35 0.29 0.16 0.00 4.81 -1.95 -1.01 114.58 115.53 3ixe h GLU 60 Ca -0.48 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 58.75 3ixe h GLU 60 Cb 1.27 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 3ixe h GLU 60 CO 0.56 0.19 -0.40 1.25 -0.73 0.00 0.00 179.01 179.88 3ixe h HIS 61 N 0.30 -1.11 -0.57 0.92 2.76 -1.97 -0.58 115.15 114.89 3ixe h HIS 61 Ca 0.25 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.35 3ixe h HIS 61 Cb 0.31 0.47 -0.02 0.00 1.55 0.00 0.00 27.41 29.71 3ixe h HIS 61 CO -0.19 -0.51 -0.02 -0.44 -1.30 0.00 0.00 177.93 175.46 3ixe h ASP 62 N -0.66 1.00 -0.32 3.26 3.32 -1.90 -0.40 116.42 120.71 3ixe h ASP 62 Ca 0.02 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.78 3ixe h ASP 62 Cb 0.67 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3ixe h ASP 62 CO -0.21 1.06 0.20 0.15 -1.72 0.00 0.00 179.24 178.72 3ixe h PHE 63 N 0.92 0.41 -0.75 4.55 3.57 -1.05 -0.90 116.94 123.69 3ixe h PHE 63 Ca 0.16 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 3ixe h PHE 63 Cb 0.57 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 3ixe h PHE 63 CO 0.04 0.28 0.42 1.96 -2.23 0.00 0.00 178.31 178.78 3ixe h GLN 64 N 0.41 1.05 -0.46 1.11 4.20 -0.92 0.15 115.11 120.65 3ixe h GLN 64 Ca 0.11 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3ixe h GLN 64 Cb -0.01 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 3ixe h GLN 64 CO -0.02 0.77 -0.07 1.98 -0.67 0.00 0.00 178.83 180.81 3ixe h MET 65 N 1.04 0.82 0.00 1.46 4.05 -0.80 -3.38 114.93 118.12 3ixe h MET 65 Ca 0.27 -0.26 -0.23 0.00 -0.28 0.00 0.00 59.70 59.19 3ixe h MET 65 Cb 0.02 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.71 3ixe h MET 65 CO -0.04 0.87 -1.89 1.28 0.23 0.00 0.00 176.91 177.36 3ixe n LEU 66 N -4.18 2.91 0.00 3.39 4.77 -0.37 -4.91 117.00 118.61 3ixe n LEU 66 Ca 0.02 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3ixe n LEU 66 Cb 0.35 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3ixe n LEU 66 CO 0.43 0.74 -0.04 0.49 -1.33 0.00 0.00 177.39 177.68 3ixe n PHE 67 N -2.99 0.00 0.35 -1.77 3.72 0.39 -5.08 117.46 112.08 3ixe n PHE 67 Ca -0.28 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.15 3ixe n PHE 67 Cb 0.79 0.00 0.17 0.00 -0.94 0.00 0.00 39.48 39.50 3ixe n PHE 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71