#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 5.23 -1.80 0.62 0.00 -1.26 -4.79 120.51 118.52 1ced n ALA 2 Ca 0.00 -2.28 -0.33 0.00 0.00 0.00 0.00 53.44 50.83 1ced n ALA 2 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 19.45 16.34 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 3.19 6.52 0.12 0.00 2.15 -1.26 -4.60 116.67 122.78 1ced s ASP 3 Ca 0.45 1.75 -0.08 0.00 0.43 0.00 0.00 52.55 55.10 1ced s ASP 3 Cb 0.12 -2.54 -0.10 0.00 -0.30 0.00 0.00 42.92 40.10 1ced s ASP 3 CO -0.04 -0.66 1.31 -0.07 -0.17 0.00 0.00 175.17 175.55 1ced h LEU 4 N 1.34 0.72 -0.09 -1.34 3.38 -1.91 0.53 115.31 117.95 1ced h LEU 4 Ca -0.48 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 56.91 1ced h LEU 4 Cb 1.20 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1ced h LEU 4 CO 0.60 1.31 -0.15 0.00 0.09 0.00 0.00 178.44 180.28 1ced h ALA 5 N 0.66 0.14 -0.14 1.53 0.00 -1.94 0.26 119.26 119.77 1ced h ALA 5 Ca -0.07 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1ced h ALA 5 Cb 1.49 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 1ced h ALA 5 CO 0.16 0.04 -0.37 1.25 0.00 0.00 0.00 179.25 180.33 1ced h LEU 6 N -0.19 -1.16 -0.70 0.00 5.85 -1.94 0.12 115.31 117.29 1ced h LEU 6 Ca 0.01 0.16 0.15 0.00 0.84 0.00 0.00 57.88 59.04 1ced h LEU 6 Cb 0.73 0.49 -0.10 0.00 0.37 0.00 0.00 40.66 42.14 1ced h LEU 6 CO 0.04 -0.39 0.16 1.23 -0.34 0.00 0.00 178.44 179.13 1ced h GLY 7 N -0.44 0.95 0.90 3.75 0.00 -0.78 -0.15 103.07 107.30 1ced h GLY 7 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1ced h GLY 7 CO -0.39 -0.18 -0.23 1.70 0.00 0.00 0.00 176.54 177.44 1ced h LYS 8 N 0.26 -0.57 -0.72 4.80 3.64 0.23 0.95 116.57 125.17 1ced h LYS 8 Ca 0.39 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.96 1ced h LYS 8 Cb 0.64 0.13 -0.11 0.00 -0.41 0.00 0.00 32.23 32.48 1ced h LYS 8 CO -0.49 -0.38 0.16 0.00 -2.27 0.00 0.00 179.45 176.48 1ced h ALA 9 N -0.00 0.91 0.49 5.00 0.00 0.32 0.24 119.26 126.22 1ced h ALA 9 Ca -0.04 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ced h ALA 9 Cb 0.48 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1ced h ALA 9 CO 0.05 -0.34 -0.24 0.28 0.00 0.00 0.00 179.25 179.00 1ced h VAL 10 N 0.26 0.50 -0.27 0.00 2.07 -0.88 -2.89 116.25 115.06 1ced h VAL 10 Ca 0.40 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.96 1ced h VAL 10 Cb 0.68 0.50 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 1ced h VAL 10 CO -0.50 0.00 -0.54 0.15 0.02 0.00 0.00 177.57 176.70 1ced h PHE 11 N -0.67 -1.61 -0.96 1.57 3.57 0.92 0.15 116.94 119.92 1ced h PHE 11 Ca -0.07 0.07 0.27 0.00 3.53 0.00 0.00 57.97 61.77 1ced h PHE 11 Cb 0.52 0.74 -0.14 0.00 2.79 0.00 0.00 35.95 39.86 1ced h PHE 11 CO -0.05 -0.52 0.48 -0.44 -2.23 0.00 0.00 178.31 175.56 1ced h ASP 12 N -0.49 0.43 0.07 0.41 5.19 -0.66 0.18 116.42 121.55 1ced h ASP 12 Ca 0.06 0.17 -0.17 0.00 -0.62 0.00 0.00 57.03 56.47 1ced h ASP 12 Cb 0.64 0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 1ced h ASP 12 CO -0.51 -0.05 -0.84 1.23 -3.12 0.00 0.00 179.24 175.95 1ced h GLY 13 N 0.39 0.16 0.00 2.75 0.00 -1.05 -3.40 103.07 101.92 1ced h GLY 13 Ca 0.64 -0.42 -0.38 0.00 0.00 0.00 0.00 47.33 47.17 1ced h GLY 13 CO -0.57 0.36 -2.45 0.70 0.00 0.00 0.00 176.54 174.58 1ced n ASN 14 N -4.26 1.46 -0.10 0.19 3.02 0.42 -4.68 115.26 111.32 1ced n ASN 14 Ca -0.19 -0.10 -0.17 0.00 -0.03 0.00 0.00 54.58 54.08 1ced n ASN 14 Cb 0.72 -0.04 -0.08 0.00 -0.61 0.00 0.00 39.78 39.77 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 -0.36 2.77 -0.96 0.00 0.00 -1.26 0.11 119.26 119.56 1ced h ALA 16 Ca -0.47 0.02 0.26 0.00 0.00 0.00 0.00 54.91 54.73 1ced h ALA 16 Cb 1.55 0.09 -0.18 0.00 0.00 0.00 0.00 17.79 19.25 1ced h ALA 16 CO -0.19 -1.19 0.01 0.00 0.00 0.00 0.00 179.25 177.88 1ced n ALA 17 N -2.63 0.48 -0.07 0.00 0.00 -1.26 -0.11 120.51 116.92 1ced n ALA 17 Ca 0.28 1.03 -0.07 0.00 0.00 0.00 0.00 53.44 54.68 1ced n ALA 17 Cb 1.18 -0.75 -0.11 0.00 0.00 0.00 0.00 19.45 19.77 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 -2.54 1.00 -1.59 0.00 8.25 0.15 0.04 115.22 120.53 1ced n HIS 19 Ca -0.23 -1.65 -0.62 0.00 -0.26 0.00 0.00 57.72 54.95 1ced n HIS 19 Cb 0.96 -0.46 -0.09 0.00 1.12 0.00 0.00 29.99 31.53 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 -1.10 -2.70 -2.61 -1.41 0.00 0.85 0.44 120.51 113.98 1ced n ALA 20 Ca 0.32 0.55 -0.20 0.00 0.00 0.00 0.00 53.44 54.11 1ced n ALA 20 Cb 0.96 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 2.50 -0.51 2.44 0.00 0.00 -1.26 -0.70 105.19 107.66 1ced n GLY 21 Ca 0.24 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.13 1.22 0.00 -0.02 0.00 0.17 -4.88 105.19 100.55 1ced n GLY 22 Ca -0.19 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.97 -1.06 3.11 -0.02 0.00 0.12 -0.22 105.19 106.15 1ced n GLY 23 Ca -0.17 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.14 0.08 0.04 1.61 3.84 -1.25 -4.01 114.94 114.11 1ced s ASN 24 Ca 0.00 0.69 0.28 0.00 0.21 0.00 0.00 52.86 54.04 1ced s ASN 24 Cb 0.00 1.08 1.02 0.00 -0.55 0.00 0.00 41.25 42.80 1ced s ASN 24 CO 0.00 -0.25 1.80 -3.20 -2.79 0.00 0.00 177.10 172.66 1ced n ASN 25 N 5.37 0.24 -0.10 -4.21 5.15 0.11 -3.91 115.26 117.91 1ced n ASN 25 Ca -0.07 0.39 -0.13 0.00 -0.60 0.00 0.00 54.58 54.17 1ced n ASN 25 Cb 0.50 -0.41 -0.04 0.00 -0.53 0.00 0.00 39.78 39.29 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 -1.65 1.50 -3.78 3.44 0.31 -1.26 -4.82 118.33 112.05 1ced n VAL 26 Ca 0.06 0.04 -0.35 0.00 -0.01 0.00 0.00 64.34 64.09 1ced n VAL 26 Cb 0.36 -2.25 -0.11 0.00 -0.91 0.00 0.00 33.84 30.93 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 -2.82 3.36 0.26 2.52 1.01 -1.26 -5.02 121.20 119.25 1ced s ILE 27 Ca -0.30 -2.78 -0.03 0.00 0.00 0.00 0.00 60.65 57.54 1ced s ILE 27 Cb 0.06 -3.25 0.29 0.00 0.01 0.00 0.00 42.46 39.57 1ced s ILE 27 CO 0.43 -0.81 1.65 -0.65 0.00 0.00 0.00 174.94 175.56 1ced h PRO 28 N 7.21 0.17 0.00 2.79 0.11 -1.88 0.23 132.00 140.63 1ced h PRO 28 Ca -0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1ced h PRO 28 Cb 0.97 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1ced h PRO 28 CO 0.70 0.11 -0.25 -0.40 -0.21 0.00 0.00 178.00 177.95 1ced n ASP 29 N -5.27 0.43 -2.98 -2.05 5.75 -1.26 -4.02 116.55 107.16 1ced n ASP 29 Ca 0.17 0.26 -0.32 0.00 -0.01 0.00 0.00 54.79 54.88 1ced n ASP 29 Cb 0.55 -0.25 -0.06 0.00 -1.03 0.00 0.00 41.12 40.34 1ced n ASP 29 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 1ced n HIS 30 N -1.78 1.83 -2.46 2.11 -0.00 0.07 -4.87 115.22 110.12 1ced n HIS 30 Ca 0.06 -2.59 -0.30 0.00 0.46 0.00 0.00 57.72 55.35 1ced n HIS 30 Cb 0.38 -2.08 -0.01 0.00 -0.12 0.00 0.00 29.99 28.15 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 0.92 4.75 0.00 3.57 -4.23 -1.26 -4.62 115.64 114.77 1ced s THR 31 Ca 0.65 0.68 0.00 0.00 -1.18 0.00 0.00 61.69 61.85 1ced s THR 31 Cb 0.23 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.27 1ced s THR 31 CO -0.07 -0.80 1.41 0.18 -0.54 0.00 0.00 174.62 174.81 1ced n LEU 32 N -1.97 3.85 -4.40 4.79 4.77 0.70 -4.10 117.00 120.64 1ced n LEU 32 Ca 0.04 -1.77 -0.30 0.00 -0.03 0.00 0.00 56.01 53.95 1ced n LEU 32 Cb 0.54 -0.78 -0.13 0.00 -2.33 0.00 0.00 43.42 40.72 1ced n LEU 32 CO 0.51 0.71 -0.55 0.00 -1.33 0.00 0.00 177.39 176.74 1ced s GLN 33 N 0.31 1.71 0.04 3.23 -2.07 -1.26 -4.21 119.66 117.40 1ced s GLN 33 Ca 0.00 -1.18 -0.07 0.00 -1.82 0.00 0.00 55.36 52.29 1ced s GLN 33 Cb 0.00 -2.00 -0.02 0.00 -1.09 0.00 0.00 33.01 29.90 1ced s GLN 33 CO 0.00 0.49 0.80 1.17 -1.32 0.00 0.00 175.29 176.43 1ced n LYS 34 N 1.34 -0.10 -0.23 9.60 4.81 -1.24 -0.70 118.16 131.63 1ced n LYS 34 Ca -0.17 0.79 -0.01 0.00 -0.87 0.00 0.00 58.31 58.05 1ced n LYS 34 Cb 0.52 -1.18 0.06 0.00 0.02 0.00 0.00 35.03 34.46 1ced n LYS 34 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ced h ALA 35 N -0.32 0.33 -0.35 3.14 0.00 -1.94 0.19 119.26 120.31 1ced h ALA 35 Ca 0.04 0.25 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 1ced h ALA 35 Cb 0.10 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ced h ALA 35 CO -0.22 -0.48 -0.33 0.00 0.00 0.00 0.00 179.25 178.21 1ced h ALA 36 N 1.52 0.51 -0.03 0.00 0.00 -1.17 -1.83 119.26 118.27 1ced h ALA 36 Ca 0.31 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ced h ALA 36 Cb 0.52 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1ced h ALA 36 CO -0.71 0.57 -0.21 0.82 0.00 0.00 0.00 179.25 179.72 1ced h ILE 37 N 0.64 0.50 -0.25 0.00 2.04 -0.16 0.86 117.51 121.13 1ced h ILE 37 Ca 0.06 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.86 1ced h ILE 37 Cb 0.92 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1ced h ILE 37 CO 0.08 0.00 -0.11 -0.33 0.00 0.00 0.00 178.15 177.79 1ced h GLU 38 N -0.32 0.41 0.33 2.37 5.08 -0.39 0.15 114.58 122.21 1ced h GLU 38 Ca 0.07 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ced h GLU 38 Cb 0.42 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1ced h GLU 38 CO -0.21 0.53 -0.16 1.96 -1.00 0.00 0.00 179.01 180.13 1ced h GLN 39 N 0.39 -0.42 -0.01 2.33 1.08 -1.19 -3.42 115.11 113.87 1ced h GLN 39 Ca 0.08 0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.20 1ced h GLN 39 Cb 0.44 0.10 0.01 0.00 -0.05 0.00 0.00 27.48 27.97 1ced h GLN 39 CO 0.02 -0.28 -0.40 0.74 -0.95 0.00 0.00 178.83 177.96 1ced h PHE 40 N -0.81 0.42 -2.10 2.96 0.04 -0.63 -3.44 116.94 113.38 1ced h PHE 40 Ca -0.04 -0.22 -0.56 0.00 2.80 0.00 0.00 57.97 59.95 1ced h PHE 40 Cb 0.34 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1ced h PHE 40 CO 0.03 1.03 1.45 -1.17 -0.60 0.00 0.00 178.31 179.05 1ced s LEU 41 N -8.45 3.44 0.06 1.54 2.96 0.52 -4.88 118.68 113.87 1ced s LEU 41 Ca -0.15 1.49 -0.13 0.00 -0.22 0.00 0.00 54.13 55.12 1ced s LEU 41 Cb 0.02 -3.27 -0.03 0.00 0.50 0.00 0.00 46.19 43.41 1ced s LEU 41 CO 0.78 -2.09 0.70 -0.90 -1.32 0.00 0.00 176.35 173.52 1ced n ASP 42 N 12.17 -0.43 0.00 3.68 5.68 -1.26 -0.35 116.55 136.04 1ced n ASP 42 Ca 0.29 0.80 0.03 0.00 -0.50 0.00 0.00 54.79 55.40 1ced n ASP 42 Cb 0.48 -0.13 0.12 0.00 -1.14 0.00 0.00 41.12 40.45 1ced n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ced n GLY 43 N -1.10 -0.68 0.26 6.12 0.00 -1.26 -4.99 105.19 103.54 1ced n GLY 43 Ca 0.01 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.91 -1.73 3.67 -0.02 0.00 0.53 -4.70 105.19 102.03 1ced n GLY 44 Ca 0.01 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 1ced n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ced s PHE 45 N -1.73 2.67 0.00 1.61 5.36 -1.26 -4.68 117.98 119.95 1ced s PHE 45 Ca 0.00 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 56.78 1ced s PHE 45 Cb 0.00 -3.61 0.00 0.00 -0.34 0.00 0.00 43.02 39.07 1ced s PHE 45 CO 0.00 -2.26 0.00 0.27 -1.46 0.00 0.00 175.22 171.77 1ced n ASN 46 N 6.48 0.00 -0.20 6.13 0.23 -1.26 -5.00 115.26 121.64 1ced n ASN 46 Ca 0.14 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.17 1ced n ASN 46 Cb 0.44 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.22 1ced n ASN 46 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1ced h ILE 47 N 0.86 0.92 -0.03 1.53 1.08 -1.95 -1.75 117.51 118.16 1ced h ILE 47 Ca 0.00 -0.19 0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1ced h ILE 47 Cb 0.00 0.33 -0.05 0.00 -3.07 0.00 0.00 36.82 34.03 1ced h ILE 47 CO 0.00 0.10 -0.47 -0.33 -0.69 0.00 0.00 178.15 176.76 1ced h GLU 48 N 0.54 -0.54 -0.47 2.37 3.07 -1.96 0.16 114.58 117.75 1ced h GLU 48 Ca 0.27 0.04 0.10 0.00 -0.50 0.00 0.00 59.36 59.26 1ced h GLU 48 Cb 0.21 0.12 -0.10 0.00 -0.84 0.00 0.00 28.75 28.15 1ced h GLU 48 CO -0.20 -0.36 -0.18 0.00 -1.40 0.00 0.00 179.01 176.86 1ced h ALA 49 N -0.54 0.19 0.47 3.43 0.00 -1.79 0.15 119.26 121.17 1ced h ALA 49 Ca 0.01 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1ced h ALA 49 Cb 0.62 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1ced h ALA 49 CO -0.33 -0.52 -0.43 0.82 0.00 0.00 0.00 179.25 178.79 1ced h ILE 50 N -0.08 0.13 -0.36 0.00 1.08 -0.54 0.53 117.51 118.27 1ced h ILE 50 Ca 0.22 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.77 1ced h ILE 50 Cb 0.43 0.13 -0.08 0.00 -3.07 0.00 0.00 36.82 34.23 1ced h ILE 50 CO -0.53 0.00 -0.15 0.58 -0.69 0.00 0.00 178.15 177.36 1ced h VAL 51 N -0.91 0.52 -0.95 1.67 2.07 -0.31 0.29 116.25 118.63 1ced h VAL 51 Ca -0.05 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.62 1ced h VAL 51 Cb 0.79 0.52 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 1ced h VAL 51 CO -0.04 0.00 0.60 0.22 0.02 0.00 0.00 177.57 178.37 1ced h TYR 52 N -0.08 0.97 0.16 1.57 3.20 -0.47 0.12 116.97 122.45 1ced h TYR 52 Ca 0.18 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 1ced h TYR 52 Cb 0.36 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1ced h TYR 52 CO -0.38 0.34 -0.08 0.37 -1.64 0.00 0.00 178.16 176.77 1ced h GLN 53 N 0.80 -0.21 -0.20 1.82 5.75 0.11 0.17 115.11 123.35 1ced h GLN 53 Ca 0.49 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 59.04 1ced h GLN 53 Cb 0.69 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.25 1ced h GLN 53 CO -0.26 0.10 -0.04 0.82 -2.65 0.00 0.00 178.83 176.81 1ced h ILE 54 N -0.54 0.81 0.00 2.39 5.03 0.09 0.54 117.51 125.83 1ced h ILE 54 Ca -0.02 -0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 1ced h ILE 54 Cb 0.41 0.80 -0.00 0.00 -3.03 0.00 0.00 36.82 35.01 1ced h ILE 54 CO 0.04 0.00 -0.00 -0.33 -0.68 0.00 0.00 178.15 177.18 1ced h GLU 55 N 0.01 -0.00 -2.28 2.37 5.08 -0.87 0.83 114.58 119.71 1ced h GLU 55 Ca 0.09 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.74 1ced h GLU 55 Cb 0.14 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.05 1ced h GLU 55 CO -0.19 -0.00 0.30 0.09 -1.00 0.00 0.00 179.01 178.21 1ced n ASN 56 N -2.42 6.08 -3.90 1.42 3.02 0.59 -0.99 115.26 119.05 1ced n ASN 56 Ca -0.00 -3.68 -0.41 0.00 -0.03 0.00 0.00 54.58 50.46 1ced n ASN 56 Cb 0.00 -0.91 -0.02 0.00 -0.61 0.00 0.00 39.78 38.24 1ced n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ced n GLY 57 N -0.08 -1.85 3.96 7.41 0.00 0.13 -4.62 105.19 110.14 1ced n GLY 57 Ca 0.39 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 46.42 1ced n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ced s LYS 58 N -0.89 2.97 0.00 1.61 3.01 -1.26 -4.69 119.74 120.49 1ced s LYS 58 Ca 0.56 -1.13 0.00 0.00 -1.01 0.00 0.00 55.97 54.39 1ced s LYS 58 Cb -0.75 -2.72 0.00 0.00 -1.01 0.00 0.00 37.83 33.35 1ced s LYS 58 CO 0.52 0.01 0.00 0.41 0.51 0.00 0.00 175.35 176.80 1ced n GLY 59 N -1.61 0.67 0.81 -3.33 0.00 -1.26 -0.33 105.19 100.13 1ced n GLY 59 Ca 0.01 0.82 0.08 0.00 0.00 0.00 0.00 46.02 46.92 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 6.76 2.73 -2.70 4.61 0.00 -1.26 -4.96 120.51 125.69 1ced n ALA 60 Ca 0.00 -1.93 -0.38 0.00 0.00 0.00 0.00 53.44 51.13 1ced n ALA 60 Cb 0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.24 4.28 0.34 0.00 0.00 0.55 -4.99 119.30 117.24 1ced s MET 61 Ca 0.36 0.37 0.21 0.00 0.00 0.00 0.00 55.69 56.63 1ced s MET 61 Cb 0.27 -3.48 1.17 0.00 0.00 0.00 0.00 34.83 32.79 1ced s MET 61 CO 0.11 0.07 1.64 -1.35 0.00 0.00 0.00 175.02 175.49 1ced h PRO 62 N 6.98 0.00 -2.96 4.11 0.11 -1.93 -3.37 132.00 134.93 1ced h PRO 62 Ca -0.39 0.00 0.27 0.00 0.11 0.00 0.00 66.00 65.99 1ced h PRO 62 Cb 1.17 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.13 1ced h PRO 62 CO 0.75 0.00 -1.06 0.00 -0.21 0.00 0.00 178.00 177.48 1ced n ALA 63 N -1.76 -3.08 -1.74 -0.75 0.00 -1.26 -4.87 120.51 107.04 1ced n ALA 63 Ca -0.01 0.77 0.02 0.00 0.00 0.00 0.00 53.44 54.22 1ced n ALA 63 Cb 0.08 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.23 1ced n ALA 63 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1ced n TRP 64 N -3.86 0.00 -1.50 0.00 7.02 0.28 -4.87 117.44 114.52 1ced n TRP 64 Ca -0.08 -0.24 -0.58 0.00 -1.02 0.00 0.00 57.50 55.58 1ced n TRP 64 Cb 0.56 -0.07 -0.09 0.00 -2.42 0.00 0.00 31.31 29.29 1ced n TRP 64 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1ced n ASP 65 N -0.35 1.67 -1.16 -0.99 5.75 -0.75 -0.96 116.55 119.75 1ced n ASP 65 Ca 0.04 0.77 -0.14 0.00 -0.01 0.00 0.00 54.79 55.45 1ced n ASP 65 Cb 0.68 -1.07 -0.06 0.00 -1.03 0.00 0.00 41.12 39.64 1ced n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ced n GLY 66 N 5.89 1.36 0.13 6.12 0.00 -1.26 -4.80 105.19 112.63 1ced n GLY 66 Ca 0.40 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.47 0.66 -4.00 1.61 1.74 -0.14 -4.94 116.66 110.13 1ced n ARG 67 Ca -0.14 0.36 -0.24 0.00 -0.77 0.00 0.00 57.85 57.06 1ced n ARG 67 Cb 0.58 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 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 -7.34 4.17 0.94 0.55 1.43 -1.20 -5.12 118.68 112.11 1ced s LEU 68 Ca -0.28 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 1ced s LEU 68 Cb 0.07 -2.73 0.15 0.00 0.03 0.00 0.00 46.19 43.72 1ced s LEU 68 CO 0.66 0.00 1.09 -0.62 0.23 0.00 0.00 176.35 177.72 1ced s ASP 69 N -3.53 3.09 0.14 2.29 -1.08 -1.26 -4.78 116.67 111.53 1ced s ASP 69 Ca 0.33 1.39 -0.17 0.00 -0.52 0.00 0.00 52.55 53.59 1ced s ASP 69 Cb -0.10 -2.06 -0.01 0.00 -1.46 0.00 0.00 42.92 39.29 1ced s ASP 69 CO 0.27 -2.87 1.74 -0.33 0.52 0.00 0.00 175.17 174.51 1ced h GLU 70 N -1.71 0.52 -0.22 4.34 5.08 -2.00 0.12 114.58 120.71 1ced h GLU 70 Ca -0.52 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 57.76 1ced h GLU 70 Cb 1.30 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1ced h GLU 70 CO 0.55 0.42 0.05 0.22 -1.00 0.00 0.00 179.01 179.25 1ced h ASP 71 N 0.47 0.34 0.30 1.42 3.58 -1.95 0.08 116.42 120.66 1ced h ASP 71 Ca 0.13 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 1ced h ASP 71 Cb 0.05 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 1ced h ASP 71 CO -0.02 0.49 -0.46 -0.08 -2.88 0.00 0.00 179.24 176.29 1ced h GLU 72 N 0.17 -0.77 -0.70 0.28 4.81 -1.87 0.20 114.58 116.69 1ced h GLU 72 Ca 0.07 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.45 1ced h GLU 72 Cb 0.29 0.17 -0.12 0.00 0.63 0.00 0.00 28.75 29.72 1ced h GLU 72 CO 0.00 -0.51 -0.42 0.82 -0.73 0.00 0.00 179.01 178.17 1ced h ILE 73 N -0.80 0.08 -0.86 2.32 1.08 -0.72 0.61 117.51 119.22 1ced h ILE 73 Ca -0.03 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.48 1ced h ILE 73 Cb 0.73 0.08 -0.05 0.00 -3.07 0.00 0.00 36.82 34.51 1ced h ILE 73 CO -0.15 0.00 0.56 0.00 -0.69 0.00 0.00 178.15 177.88 1ced h ALA 74 N 0.84 1.49 -0.06 1.87 0.00 -0.52 -0.19 119.26 122.68 1ced h ALA 74 Ca 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ced h ALA 74 Cb 0.56 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ced h ALA 74 CO -0.77 0.42 -0.10 0.78 0.00 0.00 0.00 179.25 179.58 1ced h GLY 75 N 1.04 0.18 1.00 0.00 0.00 0.10 -0.03 103.07 105.36 1ced h GLY 75 Ca 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1ced h GLY 75 CO -0.11 0.19 0.34 -0.24 0.00 0.00 0.00 176.54 176.72 1ced h VAL 76 N -0.32 1.21 0.30 4.60 3.04 -0.75 0.13 116.25 124.45 1ced h VAL 76 Ca 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1ced h VAL 76 Cb 0.66 0.40 -0.02 0.00 -2.01 0.00 0.00 31.29 30.31 1ced h VAL 76 CO 0.02 0.23 -0.32 0.00 -1.01 0.00 0.00 177.57 176.49 1ced h ALA 77 N 1.16 -0.67 -0.62 3.17 0.00 -0.98 -0.60 119.26 120.72 1ced h ALA 77 Ca 0.22 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1ced h ALA 77 Cb 0.06 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.23 1ced h ALA 77 CO -0.03 -0.92 0.08 0.00 0.00 0.00 0.00 179.25 178.38 1ced h ALA 78 N -0.12 0.69 0.35 0.00 0.00 -0.57 0.14 119.26 119.75 1ced h ALA 78 Ca -0.01 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ced h ALA 78 Cb 0.61 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ced h ALA 78 CO -0.08 -0.35 -0.17 -0.92 0.00 0.00 0.00 179.25 177.73 1ced h TYR 79 N 0.20 -0.44 -0.60 0.00 3.20 -0.52 0.82 116.97 119.62 1ced h TYR 79 Ca 0.33 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.27 1ced h TYR 79 Cb 0.51 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.86 1ced h TYR 79 CO -0.29 -0.27 0.26 0.28 -1.64 0.00 0.00 178.16 176.49 1ced h VAL 80 N -0.47 0.82 -0.08 1.81 2.07 -0.74 0.63 116.25 120.29 1ced h VAL 80 Ca -0.05 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1ced h VAL 80 Cb 0.36 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1ced h VAL 80 CO 0.08 0.08 -0.07 0.22 0.02 0.00 0.00 177.57 177.90 1ced h TYR 81 N 0.46 -0.18 0.22 1.57 3.20 -0.38 0.70 116.97 122.56 1ced h TYR 81 Ca 0.30 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.19 1ced h TYR 81 Cb 0.32 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 1ced h TYR 81 CO -0.14 -0.12 -0.32 0.22 -1.64 0.00 0.00 178.16 176.16 1ced h ASP 82 N -0.09 -0.89 -0.39 -2.11 3.58 -0.25 0.24 116.42 116.50 1ced h ASP 82 Ca 0.06 0.09 0.08 0.00 0.42 0.00 0.00 57.03 57.68 1ced h ASP 82 Cb 0.17 0.32 -0.09 0.00 1.72 0.00 0.00 39.33 41.45 1ced h ASP 82 CO -0.13 -0.43 -0.30 1.56 -2.88 0.00 0.00 179.24 177.06 1ced h GLN 83 N -0.60 -0.22 0.02 0.28 1.08 -0.67 0.03 115.11 115.01 1ced h GLN 83 Ca 0.01 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1ced h GLN 83 Cb 0.59 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1ced h GLN 83 CO -0.13 -0.15 -0.03 0.00 -0.95 0.00 0.00 178.83 177.58 1ced h ALA 84 N 0.84 -0.04 0.15 3.87 0.00 -0.65 0.33 119.26 123.74 1ced h ALA 84 Ca 0.18 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ced h ALA 84 Cb 0.52 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1ced h ALA 84 CO -0.52 -0.53 -0.22 0.00 0.00 0.00 0.00 179.25 177.98 1ced h ALA 85 N 0.92 -0.40 0.00 0.00 0.00 0.23 0.71 119.26 120.73 1ced h ALA 85 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ced h ALA 85 Cb 0.07 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ced h ALA 85 CO -0.02 -0.76 0.00 0.78 0.00 0.00 0.00 179.25 179.25 1ced h GLY 86 N -0.43 0.00 -6.28 0.00 0.00 -1.05 -3.47 103.07 91.84 1ced h GLY 86 Ca 0.02 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.88 1ced h GLY 86 CO -0.10 0.00 -0.77 -2.01 0.00 0.00 0.00 176.54 173.66 1ced n ASN 87 N -2.47 -4.40 -2.18 0.19 5.15 0.87 -4.89 115.26 107.53 1ced n ASN 87 Ca 0.02 -0.79 -0.26 0.00 -0.60 0.00 0.00 54.58 52.96 1ced n ASN 87 Cb 0.29 -3.89 0.13 0.00 -0.53 0.00 0.00 39.78 35.78 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 -4.65 2.30 0.00 1.20 2.85 0.36 -4.98 118.16 115.24 1ced n LYS 88 Ca 0.00 -2.88 0.10 0.00 -1.05 0.00 0.00 58.31 54.48 1ced n LYS 88 Cb 0.54 -2.13 0.57 0.00 -0.65 0.00 0.00 35.03 33.37 1ced n LYS 88 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26