#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ced n ALA 2 N 0.00 -1.79 -1.77 -1.84 0.00 -1.26 -4.88 120.51 108.97 1ced n ALA 2 Ca 0.00 -0.34 -0.34 0.00 0.00 0.00 0.00 53.44 52.76 1ced n ALA 2 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.06 1ced n ALA 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ced s ASP 3 N -4.08 6.03 0.13 0.00 2.15 -1.26 -4.42 116.67 115.22 1ced s ASP 3 Ca 0.23 2.01 -0.06 0.00 0.43 0.00 0.00 52.55 55.15 1ced s ASP 3 Cb -0.13 -2.56 -0.08 0.00 -0.30 0.00 0.00 42.92 39.85 1ced s ASP 3 CO 0.99 -1.00 1.33 -0.07 -0.17 0.00 0.00 175.17 176.25 1ced h LEU 4 N 1.28 0.63 -0.10 -1.34 3.38 -1.90 0.77 115.31 118.04 1ced h LEU 4 Ca -0.49 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 56.96 1ced h LEU 4 Cb 1.24 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1ced h LEU 4 CO 0.58 1.25 -0.15 0.00 0.09 0.00 0.00 178.44 180.21 1ced h ALA 5 N 0.72 0.15 -0.12 1.53 0.00 -1.93 0.29 119.26 119.90 1ced h ALA 5 Ca -0.07 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.54 1ced h ALA 5 Cb 1.49 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 1ced h ALA 5 CO 0.16 0.04 -0.45 1.25 0.00 0.00 0.00 179.25 180.26 1ced h LEU 6 N -0.17 -1.40 -0.72 0.00 5.85 -1.95 0.12 115.31 117.04 1ced h LEU 6 Ca 0.01 0.18 0.16 0.00 0.84 0.00 0.00 57.88 59.07 1ced h LEU 6 Cb 0.71 0.56 -0.11 0.00 0.37 0.00 0.00 40.66 42.19 1ced h LEU 6 CO 0.03 -0.44 0.11 1.23 -0.34 0.00 0.00 178.44 179.03 1ced h GLY 7 N -0.52 0.93 0.99 3.75 0.00 -0.70 0.25 103.07 107.76 1ced h GLY 7 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1ced h GLY 7 CO -0.40 -0.23 -0.22 1.70 0.00 0.00 0.00 176.54 177.39 1ced h LYS 8 N 0.20 -0.59 -0.71 4.80 3.64 0.21 0.13 116.57 124.25 1ced h LYS 8 Ca 0.40 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.98 1ced h LYS 8 Cb 0.69 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 32.54 1ced h LYS 8 CO -0.55 -0.38 0.13 0.00 -2.27 0.00 0.00 179.45 176.38 1ced h ALA 9 N -0.09 0.87 0.52 5.00 0.00 0.30 0.23 119.26 126.09 1ced h ALA 9 Ca -0.06 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ced h ALA 9 Cb 0.48 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ced h ALA 9 CO 0.10 -0.36 -0.27 0.28 0.00 0.00 0.00 179.25 179.00 1ced h VAL 10 N 0.22 0.44 -0.23 0.00 2.07 -0.82 -2.85 116.25 115.08 1ced h VAL 10 Ca 0.40 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.95 1ced h VAL 10 Cb 0.68 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 1ced h VAL 10 CO -0.53 0.00 -0.50 0.15 0.02 0.00 0.00 177.57 176.71 1ced h PHE 11 N -0.73 -1.50 -0.97 1.57 3.57 0.11 0.20 116.94 119.18 1ced h PHE 11 Ca -0.07 0.06 0.28 0.00 3.53 0.00 0.00 57.97 61.78 1ced h PHE 11 Cb 0.58 0.69 -0.14 0.00 2.79 0.00 0.00 35.95 39.86 1ced h PHE 11 CO -0.06 -0.47 0.49 -0.44 -2.23 0.00 0.00 178.31 175.60 1ced h ASP 12 N -0.45 0.42 0.12 0.41 5.19 -0.69 0.19 116.42 121.61 1ced h ASP 12 Ca 0.04 0.18 -0.25 0.00 -0.62 0.00 0.00 57.03 56.38 1ced h ASP 12 Cb 0.58 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.24 1ced h ASP 12 CO -0.46 -0.08 -1.22 1.23 -3.12 0.00 0.00 179.24 175.59 1ced h GLY 13 N 0.36 0.30 0.00 2.75 0.00 -0.99 -3.40 103.07 102.09 1ced h GLY 13 Ca 0.66 -0.77 -0.30 0.00 0.00 0.00 0.00 47.33 46.92 1ced h GLY 13 CO -0.58 0.67 -2.15 0.70 0.00 0.00 0.00 176.54 175.18 1ced n ASN 14 N -3.99 1.90 -0.08 0.19 3.02 0.60 -4.69 115.26 112.20 1ced n ASN 14 Ca -0.21 -0.07 -0.16 0.00 -0.03 0.00 0.00 54.58 54.10 1ced n ASN 14 Cb 0.88 0.12 -0.07 0.00 -0.61 0.00 0.00 39.78 40.10 1ced n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ced h ALA 16 N -0.42 2.77 -0.93 0.00 0.00 -1.20 0.11 119.26 119.58 1ced h ALA 16 Ca -0.41 0.01 0.27 0.00 0.00 0.00 0.00 54.91 54.77 1ced h ALA 16 Cb 1.44 0.07 -0.17 0.00 0.00 0.00 0.00 17.79 19.13 1ced h ALA 16 CO -0.20 -1.15 0.06 0.00 0.00 0.00 0.00 179.25 177.97 1ced n ALA 17 N -2.64 0.52 -0.06 0.00 0.00 -1.26 -0.22 120.51 116.84 1ced n ALA 17 Ca 0.26 1.00 -0.06 0.00 0.00 0.00 0.00 53.44 54.64 1ced n ALA 17 Cb 1.12 -0.75 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 1ced n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ced n HIS 19 N -2.47 1.00 -1.52 0.00 8.25 0.15 -0.07 115.22 120.56 1ced n HIS 19 Ca -0.21 -1.52 -0.56 0.00 -0.26 0.00 0.00 57.72 55.17 1ced n HIS 19 Cb 0.91 -0.46 -0.07 0.00 1.12 0.00 0.00 29.99 31.49 1ced n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ced n ALA 20 N -1.08 -2.85 -2.20 -1.41 0.00 0.70 0.22 120.51 113.89 1ced n ALA 20 Ca 0.31 0.57 -0.20 0.00 0.00 0.00 0.00 53.44 54.12 1ced n ALA 20 Cb 1.00 -1.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 1ced n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ced n GLY 21 N 1.79 0.11 2.63 0.00 0.00 -1.26 -0.77 105.19 107.69 1ced n GLY 21 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 1ced n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ced n GLY 22 N -0.84 -0.48 0.00 -0.02 0.00 0.13 -4.87 105.19 99.11 1ced n GLY 22 Ca -0.23 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1ced n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ced n GLY 23 N -1.22 0.64 3.23 -0.02 0.00 0.05 -0.33 105.19 107.54 1ced n GLY 23 Ca -0.19 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.01 1ced n GLY 23 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ced s ASN 24 N -1.00 -0.28 0.09 1.61 3.84 -1.25 -3.70 114.94 114.26 1ced s ASN 24 Ca 0.00 0.89 0.25 0.00 0.21 0.00 0.00 52.86 54.21 1ced s ASN 24 Cb 0.00 1.02 0.55 0.00 -0.55 0.00 0.00 41.25 42.27 1ced s ASN 24 CO 0.00 -0.22 1.48 -3.20 -2.79 0.00 0.00 177.10 172.37 1ced n ASN 25 N 4.92 0.60 -0.09 -4.21 5.15 0.90 -4.02 115.26 118.51 1ced n ASN 25 Ca -0.14 0.15 -0.16 0.00 -0.60 0.00 0.00 54.58 53.83 1ced n ASN 25 Cb 0.52 -0.03 -0.05 0.00 -0.53 0.00 0.00 39.78 39.68 1ced n ASN 25 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1ced n VAL 26 N -1.93 1.33 -3.82 3.44 0.31 -1.26 -4.81 118.33 111.58 1ced n VAL 26 Ca 0.04 -0.07 -0.34 0.00 -0.01 0.00 0.00 64.34 63.97 1ced n VAL 26 Cb 0.40 -1.99 -0.12 0.00 -0.91 0.00 0.00 33.84 31.23 1ced n VAL 26 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ced s ILE 27 N -2.56 3.21 0.30 2.52 1.01 -1.26 -5.03 121.20 119.39 1ced s ILE 27 Ca -0.27 -3.05 0.02 0.00 0.00 0.00 0.00 60.65 57.36 1ced s ILE 27 Cb 0.08 -3.15 0.37 0.00 0.01 0.00 0.00 42.46 39.77 1ced s ILE 27 CO 0.37 -0.83 1.60 -0.65 0.00 0.00 0.00 174.94 175.43 1ced h PRO 28 N 6.88 0.07 0.00 2.79 0.11 -1.88 -0.10 132.00 139.88 1ced h PRO 28 Ca -0.05 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1ced h PRO 28 Cb 0.93 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1ced h PRO 28 CO 0.70 0.05 -0.13 0.38 -0.21 0.00 0.00 178.00 178.78 1ced h ASP 29 N 0.07 0.00 -0.31 -2.05 2.03 -1.96 -3.37 116.42 110.84 1ced h ASP 29 Ca 0.59 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 56.40 1ced h ASP 29 Cb 1.23 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.67 1ced h ASP 29 CO -0.81 0.02 1.68 1.57 -1.03 0.00 0.00 179.24 180.67 1ced n HIS 30 N -3.06 1.47 -1.80 4.15 -0.00 -0.05 -4.87 115.22 111.07 1ced n HIS 30 Ca 0.03 -2.34 -0.30 0.00 0.46 0.00 0.00 57.72 55.58 1ced n HIS 30 Cb 0.54 -1.94 0.17 0.00 -0.12 0.00 0.00 29.99 28.64 1ced n HIS 30 CO 0.00 0.00 0.00 0.95 0.46 0.00 0.00 176.34 177.75 1ced s THR 31 N 0.69 1.95 -0.49 3.57 -4.23 -1.26 -4.68 115.64 111.19 1ced s THR 31 Ca 0.65 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.23 1ced s THR 31 Cb 0.26 -2.92 0.44 0.00 1.34 0.00 0.00 72.50 71.62 1ced s THR 31 CO -0.07 0.00 1.28 0.18 -0.54 0.00 0.00 174.62 175.48 1ced n LEU 32 N -3.80 4.05 -4.85 4.79 4.77 0.55 -4.34 117.00 118.16 1ced n LEU 32 Ca 0.13 -2.08 -0.30 0.00 -0.03 0.00 0.00 56.01 53.73 1ced n LEU 32 Cb 0.60 -0.63 0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1ced n LEU 32 CO 0.49 0.55 0.73 -1.10 -1.33 0.00 0.00 177.39 176.73 1ced s GLN 33 N -1.96 2.78 0.08 3.23 -1.52 -1.25 -4.44 119.66 116.59 1ced s GLN 33 Ca 0.31 0.60 -0.31 0.00 -1.95 0.00 0.00 55.36 54.01 1ced s GLN 33 Cb 0.24 -2.00 -0.17 0.00 -0.22 0.00 0.00 33.01 30.86 1ced s GLN 33 CO 0.08 -1.12 1.64 -0.22 -0.25 0.00 0.00 175.29 175.42 1ced h LYS 34 N -0.72 -0.74 -0.88 2.91 3.64 -1.92 0.21 116.57 119.07 1ced h LYS 34 Ca -0.45 0.05 0.23 0.00 -1.27 0.00 0.00 60.65 59.21 1ced h LYS 34 Cb 1.24 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 33.18 1ced h LYS 34 CO 0.62 -0.49 0.61 0.00 -2.27 0.00 0.00 179.45 177.92 1ced h ALA 35 N -0.32 2.54 0.16 5.00 0.00 -1.94 0.01 119.26 124.72 1ced h ALA 35 Ca -0.07 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 1ced h ALA 35 Cb 0.61 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.45 1ced h ALA 35 CO 0.09 -0.81 -1.03 0.00 0.00 0.00 0.00 179.25 177.49 1ced h ALA 36 N 1.59 -0.06 -0.46 0.00 0.00 -1.52 -3.29 119.26 115.53 1ced h ALA 36 Ca 0.44 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1ced h ALA 36 Cb 1.44 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 1ced h ALA 36 CO -0.09 0.51 0.20 0.97 0.00 0.00 0.00 179.25 180.84 1ced h ILE 37 N -0.27 1.19 0.00 0.00 6.09 0.44 0.17 117.51 125.14 1ced h ILE 37 Ca -0.19 -0.57 0.00 0.00 -1.37 0.00 0.00 64.86 62.73 1ced h ILE 37 Cb 1.76 0.73 0.00 0.00 0.47 0.00 0.00 36.82 39.77 1ced h ILE 37 CO 0.16 0.22 0.00 -0.33 -3.07 0.00 0.00 178.15 175.13 1ced h GLU 38 N 0.59 0.00 0.00 2.19 5.08 -1.19 -3.27 114.58 117.99 1ced h GLU 38 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1ced h GLU 38 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1ced h GLU 38 CO -0.02 0.00 -0.49 1.04 -1.00 0.00 0.00 179.01 178.54 1ced n GLN 39 N -2.40 0.26 0.08 2.33 1.13 -0.95 -4.75 117.38 113.08 1ced n GLN 39 Ca 0.02 0.10 -0.04 0.00 -1.94 0.00 0.00 57.00 55.14 1ced n GLN 39 Cb 0.23 -0.91 -0.07 0.00 0.11 0.00 0.00 30.24 29.59 1ced n GLN 39 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1ced h PHE 40 N -0.49 0.00 -1.81 1.08 0.04 -0.81 -3.45 116.94 111.49 1ced h PHE 40 Ca 0.00 0.00 -0.67 0.00 2.80 0.00 0.00 57.97 60.10 1ced h PHE 40 Cb 0.49 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.68 1ced h PHE 40 CO -0.21 0.83 0.81 -0.11 -0.60 0.00 0.00 178.31 179.03 1ced n LEU 41 N -3.28 2.55 -3.84 1.54 -0.00 -1.23 -4.84 117.00 107.89 1ced n LEU 41 Ca -0.01 1.06 -0.38 0.00 -0.00 0.00 0.00 56.01 56.69 1ced n LEU 41 Cb 0.88 -1.25 -0.09 0.00 -0.00 0.00 0.00 43.42 42.95 1ced n LEU 41 CO 0.45 -0.49 1.65 -0.67 -0.00 0.00 0.00 177.39 178.33 1ced n ASP 42 N 4.58 1.88 0.00 1.96 2.03 -1.26 -3.23 116.55 122.51 1ced n ASP 42 Ca 0.22 -2.59 0.00 0.00 0.52 0.00 0.00 54.79 52.94 1ced n ASP 42 Cb 0.21 -1.06 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 1ced n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ced n GLY 43 N 5.10 -0.61 0.00 0.27 0.00 -1.26 -4.98 105.19 103.71 1ced n GLY 43 Ca 0.47 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.83 1ced n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ced n GLY 44 N 0.00 -0.38 0.00 -0.02 0.00 -1.20 -5.07 105.19 98.52 1ced n GLY 44 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1ced n GLY 44 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ced n PHE 45 N 9.00 0.00 -3.29 1.61 7.35 -1.26 -4.74 117.46 126.13 1ced n PHE 45 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1ced n PHE 45 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1ced n PHE 45 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1ced n ASN 46 N 0.00 -2.93 -0.11 -2.13 0.23 -1.26 -4.18 115.26 104.87 1ced n ASN 46 Ca 0.00 0.00 -0.18 0.00 -0.53 0.00 0.00 54.58 53.87 1ced n ASN 46 Cb 0.00 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.60 1ced n ASN 46 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1ced n ILE 47 N -0.64 1.25 0.05 1.53 2.08 -1.26 -4.47 119.36 117.90 1ced n ILE 47 Ca 0.00 -0.43 -0.14 0.00 0.56 0.00 0.00 62.75 62.74 1ced n ILE 47 Cb 0.00 -1.43 -0.09 0.00 -0.75 0.00 0.00 39.64 37.37 1ced n ILE 47 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1ced h GLU 48 N -0.25 -0.56 -0.69 0.38 3.07 -1.98 0.11 114.58 114.66 1ced h GLU 48 Ca -0.52 0.04 0.10 0.00 -0.50 0.00 0.00 59.36 58.48 1ced h GLU 48 Cb 1.68 0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 29.64 1ced h GLU 48 CO -0.16 -0.37 0.32 0.00 -1.40 0.00 0.00 179.01 177.39 1ced h ALA 49 N -0.57 0.95 0.61 3.43 0.00 -1.86 -0.06 119.26 121.75 1ced h ALA 49 Ca 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ced h ALA 49 Cb 0.62 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ced h ALA 49 CO -0.31 -0.11 -0.38 0.82 0.00 0.00 0.00 179.25 179.27 1ced h ILE 50 N 0.53 0.23 -0.21 0.00 1.08 -1.45 0.28 117.51 117.97 1ced h ILE 50 Ca 0.35 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.87 1ced h ILE 50 Cb 0.41 0.23 -0.06 0.00 -3.07 0.00 0.00 36.82 34.33 1ced h ILE 50 CO -0.30 0.00 -0.19 0.58 -0.69 0.00 0.00 178.15 177.55 1ced h VAL 51 N -0.93 0.49 -0.79 1.67 2.07 -0.37 0.90 116.25 119.29 1ced h VAL 51 Ca -0.07 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.63 1ced h VAL 51 Cb 0.76 0.49 -0.14 0.00 -1.52 0.00 0.00 31.29 30.88 1ced h VAL 51 CO 0.07 0.00 0.03 0.22 0.02 0.00 0.00 177.57 177.91 1ced h TYR 52 N -0.20 -0.01 0.34 1.57 3.20 -0.88 0.19 116.97 121.19 1ced h TYR 52 Ca 0.13 0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1ced h TYR 52 Cb 0.39 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1ced h TYR 52 CO -0.34 -0.25 -0.16 0.37 -1.64 0.00 0.00 178.16 176.14 1ced h GLN 53 N 0.11 -0.44 -0.24 1.82 5.75 0.13 -0.47 115.11 121.77 1ced h GLN 53 Ca 0.44 0.03 0.03 0.00 -0.15 0.00 0.00 58.65 59.00 1ced h GLN 53 Cb 0.80 0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.42 1ced h GLN 53 CO -0.69 -0.27 0.06 0.82 -2.65 0.00 0.00 178.83 176.11 1ced h ILE 54 N -0.50 0.91 0.07 2.39 5.03 -0.27 0.15 117.51 125.29 1ced h ILE 54 Ca -0.05 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 1ced h ILE 54 Cb 0.38 0.73 -0.01 0.00 -3.03 0.00 0.00 36.82 34.88 1ced h ILE 54 CO 0.08 0.03 -0.17 -0.33 -0.68 0.00 0.00 178.15 177.07 1ced h GLU 55 N 0.17 -0.26 0.04 2.37 5.08 -0.56 0.21 114.58 121.63 1ced h GLU 55 Ca 0.11 0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.21 1ced h GLU 55 Cb 0.09 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1ced h GLU 55 CO -0.13 -0.17 -1.48 -0.91 -1.00 0.00 0.00 179.01 175.31 1ced h ASN 56 N -0.27 0.12 -4.04 1.42 2.35 -0.94 0.80 115.58 115.03 1ced h ASN 56 Ca -0.01 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1ced h ASN 56 Cb 0.26 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1ced h ASN 56 CO -0.08 1.16 -0.45 0.61 -1.65 0.00 0.00 177.43 177.03 1ced n GLY 57 N 1.55 -4.20 3.92 2.83 0.00 0.52 -4.24 105.19 105.57 1ced n GLY 57 Ca -0.13 -0.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 1ced n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ced s LYS 58 N -2.88 3.54 0.00 1.61 2.20 -1.24 -4.81 119.74 118.16 1ced s LYS 58 Ca 0.00 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.35 1ced s LYS 58 Cb 0.00 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 1ced s LYS 58 CO 0.00 0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.74 1ced n GLY 59 N -0.80 0.25 1.92 5.54 0.00 -1.26 -0.04 105.19 110.81 1ced n GLY 59 Ca -0.04 0.31 -0.18 0.00 0.00 0.00 0.00 46.02 46.11 1ced n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ced n ALA 60 N 2.70 5.24 -3.81 4.61 0.00 -1.26 -4.92 120.51 123.08 1ced n ALA 60 Ca 0.00 -2.97 -0.32 0.00 0.00 0.00 0.00 53.44 50.15 1ced n ALA 60 Cb 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 19.45 18.04 1ced n ALA 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1ced s MET 61 N -3.29 2.85 0.27 0.00 0.00 0.94 -5.03 119.30 115.05 1ced s MET 61 Ca 0.53 -0.79 -0.30 0.00 0.00 0.00 0.00 55.69 55.14 1ced s MET 61 Cb 0.46 -2.37 -0.14 0.00 0.00 0.00 0.00 34.83 32.78 1ced s MET 61 CO 0.08 -0.09 1.21 -2.30 0.00 0.00 0.00 175.02 173.92 1ced n PRO 62 N 4.28 1.71 -1.70 4.11 -0.02 -1.26 -3.72 135.00 138.40 1ced n PRO 62 Ca -0.20 0.60 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 1ced n PRO 62 Cb 0.51 -2.12 0.06 0.00 -0.02 0.00 0.00 33.50 31.93 1ced n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ced s ALA 63 N -0.68 2.35 0.00 3.55 0.00 -1.26 -4.48 121.76 121.24 1ced s ALA 63 Ca 0.62 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1ced s ALA 63 Cb -0.67 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.05 1ced s ALA 63 CO 0.57 -1.46 0.44 0.91 0.00 0.00 0.00 175.76 176.22 1ced n TRP 64 N -2.35 0.00 -1.59 0.00 7.02 0.06 -4.92 117.44 115.67 1ced n TRP 64 Ca 0.12 0.00 -0.47 0.00 -1.02 0.00 0.00 57.50 56.13 1ced n TRP 64 Cb 0.51 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.37 1ced n TRP 64 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1ced n ASP 65 N -0.01 1.38 0.00 -0.99 2.03 0.06 -1.07 116.55 117.96 1ced n ASP 65 Ca 0.00 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1ced n ASP 65 Cb 0.03 -1.25 0.00 0.00 -0.72 0.00 0.00 41.12 39.17 1ced n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ced n GLY 66 N 1.75 0.00 0.13 0.27 0.00 -1.26 -4.69 105.19 101.39 1ced n GLY 66 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1ced n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ced n ARG 67 N -1.97 0.68 -4.06 1.61 1.74 -0.23 -4.94 116.66 109.49 1ced n ARG 67 Ca 0.00 0.22 -0.24 0.00 -0.77 0.00 0.00 57.85 57.05 1ced n ARG 67 Cb 0.00 -1.60 -0.04 0.00 -1.02 0.00 0.00 32.46 29.80 1ced n ARG 67 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ced s LEU 68 N -6.83 3.93 0.96 0.55 1.43 -0.98 -5.13 118.68 112.62 1ced s LEU 68 Ca -0.30 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 1ced s LEU 68 Cb 0.08 -2.51 0.17 0.00 0.03 0.00 0.00 46.19 43.96 1ced s LEU 68 CO 0.66 0.02 1.11 -0.62 0.23 0.00 0.00 176.35 177.75 1ced s ASP 69 N -3.41 2.99 0.09 2.29 -1.08 -1.26 -4.79 116.67 111.50 1ced s ASP 69 Ca 0.32 1.12 -0.25 0.00 -0.52 0.00 0.00 52.55 53.22 1ced s ASP 69 Cb -0.09 -1.76 -0.13 0.00 -1.46 0.00 0.00 42.92 39.47 1ced s ASP 69 CO 0.25 -2.90 1.70 -0.33 0.52 0.00 0.00 175.17 174.41 1ced h GLU 70 N -1.73 -0.25 -0.42 4.34 5.08 -2.00 0.96 114.58 120.56 1ced h GLU 70 Ca -0.53 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 57.75 1ced h GLU 70 Cb 1.33 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1ced h GLU 70 CO 0.59 -0.17 -0.13 0.22 -1.00 0.00 0.00 179.01 178.52 1ced h ASP 71 N -0.26 0.84 0.23 1.42 3.58 -1.98 0.24 116.42 120.49 1ced h ASP 71 Ca -0.00 -0.38 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 1ced h ASP 71 Cb 0.23 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 1ced h ASP 71 CO -0.01 1.02 -0.41 -0.08 -2.88 0.00 0.00 179.24 176.89 1ced h GLU 72 N 0.64 -0.66 -0.61 0.28 4.81 -1.92 0.40 114.58 117.52 1ced h GLU 72 Ca 0.10 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.46 1ced h GLU 72 Cb 0.68 0.15 -0.11 0.00 0.63 0.00 0.00 28.75 30.10 1ced h GLU 72 CO 0.05 -0.44 -0.45 0.82 -0.73 0.00 0.00 179.01 178.26 1ced h ILE 73 N -0.68 0.07 -0.79 2.32 1.08 -0.71 0.76 117.51 119.55 1ced h ILE 73 Ca -0.03 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.50 1ced h ILE 73 Cb 0.63 0.07 -0.05 0.00 -3.07 0.00 0.00 36.82 34.41 1ced h ILE 73 CO -0.14 0.00 0.52 0.00 -0.69 0.00 0.00 178.15 177.84 1ced h ALA 74 N 0.60 1.62 -0.10 1.87 0.00 -0.62 -0.54 119.26 122.08 1ced h ALA 74 Ca 0.18 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1ced h ALA 74 Cb 0.56 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ced h ALA 74 CO -0.71 0.27 -0.26 0.78 0.00 0.00 0.00 179.25 179.33 1ced h GLY 75 N 0.87 0.38 1.01 0.00 0.00 0.14 0.11 103.07 105.59 1ced h GLY 75 Ca 0.34 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 1ced h GLY 75 CO -0.12 0.43 0.12 -0.24 0.00 0.00 0.00 176.54 176.74 1ced h VAL 76 N -0.10 1.25 0.24 4.60 3.04 -0.61 0.24 116.25 124.91 1ced h VAL 76 Ca -0.01 -0.93 0.01 0.00 -1.01 0.00 0.00 66.70 64.76 1ced h VAL 76 Cb 0.88 0.75 -0.03 0.00 -2.01 0.00 0.00 31.29 30.88 1ced h VAL 76 CO 0.06 0.34 -0.30 0.00 -1.01 0.00 0.00 177.57 176.66 1ced h ALA 77 N 1.02 -0.59 -0.85 3.17 0.00 -1.07 -0.26 119.26 120.68 1ced h ALA 77 Ca 0.18 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.15 1ced h ALA 77 Cb 0.38 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 1ced h ALA 77 CO 0.01 -0.87 0.44 0.00 0.00 0.00 0.00 179.25 178.82 1ced h ALA 78 N 0.02 1.27 0.21 0.00 0.00 -0.58 0.13 119.26 120.31 1ced h ALA 78 Ca -0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ced h ALA 78 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ced h ALA 78 CO -0.09 -0.09 -0.10 -0.92 0.00 0.00 0.00 179.25 178.05 1ced h TYR 79 N 0.63 -0.27 -0.57 0.00 3.20 -0.26 0.76 116.97 120.46 1ced h TYR 79 Ca 0.46 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.42 1ced h TYR 79 Cb 0.65 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.93 1ced h TYR 79 CO -0.09 0.01 0.18 0.28 -1.64 0.00 0.00 178.16 176.90 1ced h VAL 80 N -0.53 0.75 0.28 1.81 2.07 -0.68 0.11 116.25 120.06 1ced h VAL 80 Ca -0.03 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1ced h VAL 80 Cb 0.40 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1ced h VAL 80 CO 0.05 0.06 -0.39 0.22 0.02 0.00 0.00 177.57 177.53 1ced h TYR 81 N 0.34 -1.07 -0.31 1.57 3.20 -0.61 0.15 116.97 120.25 1ced h TYR 81 Ca 0.29 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.24 1ced h TYR 81 Cb 0.37 0.43 -0.07 0.00 1.54 0.00 0.00 36.73 39.00 1ced h TYR 81 CO -0.19 -0.52 -0.16 0.22 -1.64 0.00 0.00 178.16 175.87 1ced h ASP 82 N -0.73 -0.54 0.35 -2.11 3.58 -0.26 0.26 116.42 116.99 1ced h ASP 82 Ca -0.01 0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.56 1ced h ASP 82 Cb 0.69 0.29 -0.03 0.00 1.72 0.00 0.00 39.33 42.00 1ced h ASP 82 CO -0.13 -0.20 -0.49 1.56 -2.88 0.00 0.00 179.24 177.10 1ced h GLN 83 N -0.12 -0.86 -0.64 0.28 1.08 -0.63 -2.76 115.11 111.48 1ced h GLN 83 Ca 0.16 0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.43 1ced h GLN 83 Cb 0.36 0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 1ced h GLN 83 CO -0.38 -0.57 0.42 0.00 -0.95 0.00 0.00 178.83 177.35 1ced h ALA 84 N -0.66 0.81 -0.21 3.87 0.00 -0.62 0.16 119.26 122.61 1ced h ALA 84 Ca -0.04 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ced h ALA 84 Cb 0.81 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1ced h ALA 84 CO -0.14 0.23 -0.03 0.00 0.00 0.00 0.00 179.25 179.31 1ced h ALA 85 N 1.24 0.16 -0.01 0.00 0.00 -0.37 0.22 119.26 120.50 1ced h ALA 85 Ca 0.24 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ced h ALA 85 Cb -0.09 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ced h ALA 85 CO -0.06 -0.45 -0.01 0.41 0.00 0.00 0.00 179.25 179.14 1ced n GLY 86 N -1.20 -0.53 4.08 0.00 0.00 -1.05 -4.95 105.19 101.54 1ced n GLY 86 Ca -0.02 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 1ced n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ced n ASN 87 N -0.45 0.09 -2.14 1.61 5.15 0.77 -4.87 115.26 115.42 1ced n ASN 87 Ca 0.21 -1.12 -0.27 0.00 -0.60 0.00 0.00 54.58 52.80 1ced n ASN 87 Cb 0.24 -1.38 0.12 0.00 -0.53 0.00 0.00 39.78 38.23 1ced n ASN 87 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1ced n LYS 88 N -4.19 2.54 0.00 1.20 2.85 0.33 -4.97 118.16 115.92 1ced n LYS 88 Ca -0.25 -3.28 0.06 0.00 -1.05 0.00 0.00 58.31 53.79 1ced n LYS 88 Cb 0.59 -2.20 0.34 0.00 -0.65 0.00 0.00 35.03 33.11 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26