#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tbc n ASP 2 N 0.00 -4.38 0.00 1.45 -0.08 -1.07 -4.98 116.55 107.49 1tbc n ASP 2 Ca 0.00 -1.01 0.00 0.00 -1.51 0.00 0.00 54.79 52.27 1tbc n ASP 2 Cb 0.00 -3.36 0.00 0.00 2.34 0.00 0.00 41.12 40.10 1tbc n ASP 2 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1tbc n PRO 3 N -4.23 0.00 0.12 -0.67 -0.04 -1.26 -4.90 135.00 124.02 1tbc n PRO 3 Ca -0.13 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.27 1tbc n PRO 3 Cb 0.61 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.04 1tbc n PRO 3 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1tbc h VAL 4 N 0.00 0.00 0.00 0.52 2.07 -1.93 -3.48 116.25 113.43 1tbc h VAL 4 Ca 0.00 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1tbc h VAL 4 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1tbc h VAL 4 CO 0.00 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.92 1tbc n ASP 5 N -4.60 -3.39 -1.16 0.57 2.03 -1.26 -5.06 116.55 103.68 1tbc n ASP 5 Ca -0.05 0.83 0.00 0.00 0.52 0.00 0.00 54.79 56.09 1tbc n ASP 5 Cb 0.15 3.19 0.00 0.00 -0.72 0.00 0.00 41.12 43.74 1tbc n ASP 5 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1tbc n PRO 6 N -3.47 1.85 -0.01 -0.67 -0.04 -1.26 -0.80 135.00 130.61 1tbc n PRO 6 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1tbc n PRO 6 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 1tbc n PRO 6 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1tbc h ASN 7 N 0.00 -0.09 0.00 3.54 2.35 -1.54 -3.38 115.58 116.46 1tbc h ASN 7 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1tbc h ASN 7 Cb 0.00 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1tbc h ASN 7 CO 0.00 0.51 -0.06 2.30 -1.65 0.00 0.00 177.43 178.53 1tbc n ILE 8 N -4.82 0.63 -3.45 2.81 -0.00 -1.26 -4.83 119.36 108.44 1tbc n ILE 8 Ca -0.04 -0.68 -0.20 0.00 -0.00 0.00 0.00 62.75 61.83 1tbc n ILE 8 Cb 0.17 0.59 0.06 0.00 -0.00 0.00 0.00 39.64 40.45 1tbc n ILE 8 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1tbc n GLU 9 N -0.38 -3.01 -1.07 6.28 1.02 -1.26 -4.86 120.64 117.37 1tbc n GLU 9 Ca 0.02 0.73 -0.15 0.00 -0.02 0.00 0.00 57.16 57.74 1tbc n GLU 9 Cb 0.45 -5.32 -0.10 0.00 -0.02 0.00 0.00 31.44 26.44 1tbc n GLU 9 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1tbc n PRO 10 N -3.75 1.97 -0.70 3.49 -0.04 -1.26 -4.32 135.00 130.39 1tbc n PRO 10 Ca -0.14 -1.30 0.04 0.00 -0.04 0.00 0.00 63.50 62.06 1tbc n PRO 10 Cb 0.63 -1.89 0.19 0.00 -0.04 0.00 0.00 33.50 32.40 1tbc n PRO 10 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1tbc n TRP 11 N 1.75 0.14 -3.68 0.54 7.02 -1.26 -4.90 117.44 117.05 1tbc n TRP 11 Ca 0.38 -1.51 -0.37 0.00 -1.02 0.00 0.00 57.50 54.98 1tbc n TRP 11 Cb 0.74 -0.25 -0.09 0.00 -2.42 0.00 0.00 31.31 29.29 1tbc n TRP 11 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1tbc s ASN 12 N -3.22 5.38 -0.18 -0.99 2.20 -1.23 -3.29 114.94 113.61 1tbc s ASN 12 Ca 0.39 -2.90 -0.08 0.00 -0.94 0.00 0.00 52.86 49.33 1tbc s ASN 12 Cb 0.37 -1.88 -0.04 0.00 -2.00 0.00 0.00 41.25 37.70 1tbc s ASN 12 CO -0.07 -0.37 0.07 -1.00 -2.94 0.00 0.00 177.10 172.79 1tbc s HIS 13 N -0.13 3.28 -0.53 1.54 3.76 -0.93 -4.96 115.29 117.32 1tbc s HIS 13 Ca 0.18 0.12 0.23 0.00 -0.15 0.00 0.00 55.06 55.43 1tbc s HIS 13 Cb -0.19 -2.09 0.95 0.00 1.11 0.00 0.00 32.58 32.36 1tbc s HIS 13 CO -0.04 0.18 1.68 -0.35 -0.85 0.00 0.00 174.74 175.36 1tbc n PRO 14 N 3.51 0.17 -1.26 8.40 -0.04 -1.26 -4.49 135.00 140.03 1tbc n PRO 14 Ca -0.16 0.41 -0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1tbc n PRO 14 Cb 0.52 -1.84 -0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1tbc n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tbc n GLY 15 N -0.04 0.40 0.31 0.55 0.00 -1.26 -1.65 105.19 103.49 1tbc n GLY 15 Ca 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1tbc n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1tbc n SER 16 N 1.93 0.00 0.00 1.61 2.88 -1.26 -4.39 113.62 114.38 1tbc n SER 16 Ca -0.00 -1.20 0.00 0.00 -1.33 0.00 0.00 58.87 56.33 1tbc n SER 16 Cb 0.14 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1tbc n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tbc n GLN 17 N 0.00 0.00 0.30 -1.46 6.02 -1.26 -3.67 117.38 117.31 1tbc n GLN 17 Ca 0.00 0.00 0.20 0.00 -0.01 0.00 0.00 57.00 57.19 1tbc n GLN 17 Cb 0.54 0.00 0.98 0.00 1.02 0.00 0.00 30.24 32.78 1tbc n GLN 17 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1tbc h PRO 18 N 0.00 0.00 0.00 -1.09 0.13 -1.85 2.66 132.00 131.85 1tbc h PRO 18 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1tbc h PRO 18 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1tbc h PRO 18 CO 0.00 0.00 -1.15 1.63 -0.23 0.00 0.00 178.00 178.25 1tbc n LYS 19 N -3.00 0.20 0.00 0.86 5.02 -1.26 -3.83 118.16 116.15 1tbc n LYS 19 Ca -0.01 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 1tbc n LYS 19 Cb 0.15 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1tbc n LYS 19 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1tbc n THR 20 N -1.77 0.00 -0.67 -0.18 5.66 -0.18 -4.85 114.28 112.29 1tbc n THR 20 Ca 0.02 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.89 1tbc n THR 20 Cb 0.41 -0.07 0.18 0.00 -1.55 0.00 0.00 70.33 69.30 1tbc n THR 20 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1tbc n ALA 21 N -1.97 4.60 0.00 1.79 0.00 0.23 -4.35 120.51 120.80 1tbc n ALA 21 Ca 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 53.44 51.37 1tbc n ALA 21 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1tbc n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tbc s ASN 23 N 0.00 6.11 0.08 0.00 3.04 -1.23 -4.12 114.94 118.81 1tbc s ASN 23 Ca 0.00 1.24 -0.30 0.00 0.04 0.00 0.00 52.86 53.84 1tbc s ASN 23 Cb 0.00 -2.53 -0.14 0.00 -1.54 0.00 0.00 41.25 37.04 1tbc s ASN 23 CO 0.00 -1.54 1.46 0.03 -3.04 0.00 0.00 177.10 174.01 1tbc h ARG 24 N 11.85 -0.74 -0.71 0.43 -0.00 -1.92 -3.48 114.38 119.81 1tbc h ARG 24 Ca -0.32 0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.21 1tbc h ARG 24 Cb 1.15 0.17 0.00 0.00 0.00 0.00 0.00 29.97 31.29 1tbc h ARG 24 CO 1.04 -0.49 0.00 0.00 0.00 0.00 0.00 179.97 180.52 1tbc n HIS 26 N -1.54 -3.79 0.18 0.00 -0.00 -1.26 -4.88 115.22 103.93 1tbc n HIS 26 Ca 0.00 1.03 0.06 0.00 -0.00 0.00 0.00 57.72 58.80 1tbc n HIS 26 Cb 0.33 2.71 0.25 0.00 -0.00 0.00 0.00 29.99 33.28 1tbc n HIS 26 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1tbc h LYS 28 N 0.00 1.07 -0.17 0.00 3.64 -1.95 -2.97 116.57 116.18 1tbc h LYS 28 Ca -0.00 -0.34 0.05 0.00 -1.27 0.00 0.00 60.65 59.09 1tbc h LYS 28 Cb 1.05 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.71 1tbc h LYS 28 CO 0.05 1.04 -0.23 0.87 -2.27 0.00 0.00 179.45 178.92 1tbc h LYS 29 N 0.98 -0.25 -4.01 1.90 6.56 -1.85 -3.44 116.57 116.45 1tbc h LYS 29 Ca 0.17 0.02 -0.07 0.00 -1.06 0.00 0.00 60.65 59.71 1tbc h LYS 29 Cb 0.56 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.27 1tbc h LYS 29 CO 0.03 -0.17 -0.08 0.00 -2.06 0.00 0.00 179.45 177.17 1tbc n TYR 32 N 0.60 3.68 -0.64 0.00 0.18 -1.26 -4.77 117.16 114.95 1tbc n TYR 32 Ca 0.19 -3.64 0.00 0.00 1.88 0.00 0.00 57.90 56.33 1tbc n TYR 32 Cb 0.80 -0.68 0.00 0.00 -0.38 0.00 0.00 39.34 39.07 1tbc n TYR 32 CO 0.00 0.00 0.00 0.72 -2.08 0.00 0.00 176.86 175.50 1tbc n HIS 33 N -0.07 0.00 -2.78 -3.48 8.25 -1.26 -4.30 115.22 111.58 1tbc n HIS 33 Ca 0.34 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.79 1tbc n HIS 33 Cb 0.36 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 30.90 1tbc n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tbc n GLN 35 N 0.57 0.76 -3.20 0.00 1.13 -1.26 -4.98 117.38 110.40 1tbc n GLN 35 Ca 0.02 -0.07 -0.14 0.00 -1.94 0.00 0.00 57.00 54.86 1tbc n GLN 35 Cb 0.12 -1.24 0.07 0.00 0.11 0.00 0.00 30.24 29.29 1tbc n GLN 35 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1tbc n VAL 36 N -1.95 -9.06 -3.08 5.09 0.31 -1.26 -3.72 118.33 104.65 1tbc n VAL 36 Ca -0.05 -1.28 -0.10 0.00 -0.01 0.00 0.00 64.34 62.91 1tbc n VAL 36 Cb 0.38 -6.48 0.00 0.00 -0.91 0.00 0.00 33.84 26.83 1tbc n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1tbc n PHE 38 N -1.42 0.00 -0.06 0.00 1.16 -1.24 -3.16 117.46 112.74 1tbc n PHE 38 Ca -0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.46 1tbc n PHE 38 Cb 0.24 0.00 0.25 0.00 -1.61 0.00 0.00 39.48 38.37 1tbc n PHE 38 CO 0.00 0.00 0.00 -0.84 -1.87 0.00 0.00 176.76 174.05 1tbc h ILE 39 N 0.00 1.21 -3.35 1.97 3.07 -1.25 -3.21 117.51 115.95 1tbc h ILE 39 Ca 0.00 -0.79 -0.68 0.00 1.55 0.00 0.00 64.86 64.95 1tbc h ILE 39 Cb 0.00 0.82 -0.16 0.00 -0.27 0.00 0.00 36.82 37.22 1tbc h ILE 39 CO 0.00 0.28 -0.63 -0.89 -1.05 0.00 0.00 178.15 175.86 1tbc s THR 40 N -5.08 4.25 -0.59 0.16 2.01 -1.26 -2.60 115.64 112.53 1tbc s THR 40 Ca -0.09 -0.27 0.22 0.00 0.31 0.00 0.00 61.69 61.87 1tbc s THR 40 Cb 0.15 -2.79 0.23 0.00 0.01 0.00 0.00 72.50 70.10 1tbc s THR 40 CO 0.78 0.59 1.68 2.29 -0.69 0.00 0.00 174.62 179.27 1tbc n LYS 41 N 2.27 0.16 0.23 4.92 -0.00 -1.26 -2.69 118.16 121.79 1tbc n LYS 41 Ca -0.18 0.38 0.16 0.00 -0.00 0.00 0.00 58.31 58.66 1tbc n LYS 41 Cb 0.53 -1.80 0.74 0.00 -0.00 0.00 0.00 35.03 34.51 1tbc n LYS 41 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1tbc h GLY 42 N 2.46 0.00 -2.66 2.58 0.00 -1.97 -3.46 103.07 100.02 1tbc h GLY 42 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1tbc h GLY 42 CO 0.00 0.00 -0.21 1.04 0.00 0.00 0.00 176.54 177.37 1tbc n LEU 43 N -2.67 -2.48 -4.13 3.11 4.77 -1.09 -3.66 117.00 110.85 1tbc n LEU 43 Ca -0.00 -0.16 -0.30 0.00 -0.03 0.00 0.00 56.01 55.51 1tbc n LEU 43 Cb 0.17 -1.24 -0.04 0.00 -2.33 0.00 0.00 43.42 39.98 1tbc n LEU 43 CO 0.19 0.16 -0.24 0.61 -1.33 0.00 0.00 177.39 176.78 1tbc n GLY 44 N -0.98 -0.25 0.13 -0.72 0.00 -1.26 -4.49 105.19 97.61 1tbc n GLY 44 Ca -0.03 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1tbc n GLY 44 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1tbc n ILE 45 N -4.43 1.64 -1.05 -0.61 -5.35 -1.24 -4.84 119.36 103.48 1tbc n ILE 45 Ca -0.21 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 1tbc n ILE 45 Cb 0.64 -1.82 0.00 0.00 -1.74 0.00 0.00 39.64 36.72 1tbc n ILE 45 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1tbc n SER 46 N -3.86 0.00 0.21 7.28 3.41 -1.26 -4.97 113.62 114.43 1tbc n SER 46 Ca -0.36 -0.42 0.10 0.00 -0.26 0.00 0.00 58.87 57.93 1tbc n SER 46 Cb 0.90 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 65.03 1tbc n SER 46 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1tbc h TYR 47 N 0.00 0.00 0.00 7.33 -0.00 -1.95 -3.46 116.97 118.89 1tbc h TYR 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1tbc h TYR 47 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.15 1tbc h TYR 47 CO -0.04 0.11 0.00 0.41 -0.00 0.00 0.00 178.16 178.63 1tbc n GLY 48 N 1.03 0.06 3.71 0.10 0.00 -1.26 -5.12 105.19 103.71 1tbc n GLY 48 Ca 0.03 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 1tbc n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1tbc s ARG 49 N 0.00 4.50 0.05 1.61 3.52 -1.26 -4.93 118.95 122.43 1tbc s ARG 49 Ca 0.00 1.56 0.11 0.00 -0.13 0.00 0.00 55.73 57.27 1tbc s ARG 49 Cb 0.00 -3.43 -0.20 0.00 -1.56 0.00 0.00 34.95 29.77 1tbc s ARG 49 CO 0.00 -0.16 0.95 1.57 -0.81 0.00 0.00 175.30 176.85 1tbc h LYS 50 N 6.84 0.00 0.00 5.12 -0.00 -1.99 -3.50 116.57 123.04 1tbc h LYS 50 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.25 1tbc h LYS 50 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.44 1tbc h LYS 50 CO 0.78 0.66 0.00 0.36 -0.00 0.00 0.00 179.45 181.25 1tbc n LYS 51 N -3.15 0.00 0.00 0.07 2.85 -1.26 -4.98 118.16 111.69 1tbc n LYS 51 Ca -0.09 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.19 1tbc n LYS 51 Cb 0.97 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.35 1tbc n LYS 51 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1tbc n ARG 52 N 0.00 2.04 -1.90 -1.58 3.00 -1.26 -4.98 116.66 111.98 1tbc n ARG 52 Ca 0.00 -0.42 -0.19 0.00 -0.01 0.00 0.00 57.85 57.23 1tbc n ARG 52 Cb 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 32.46 31.52 1tbc n ARG 52 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1tbc n ARG 53 N -0.31 -1.58 0.00 5.56 3.00 -1.26 -2.33 116.66 119.74 1tbc n ARG 53 Ca 0.01 1.04 0.00 0.00 -0.00 0.00 0.00 57.85 58.90 1tbc n ARG 53 Cb 0.06 -5.51 0.00 0.00 0.00 0.00 0.00 32.46 27.01 1tbc n ARG 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1tbc n GLN 54 N -2.55 0.00 -3.66 -0.14 1.13 -1.26 -4.02 117.38 106.88 1tbc n GLN 54 Ca -0.20 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.59 1tbc n GLN 54 Cb 0.64 -3.09 -0.03 0.00 0.11 0.00 0.00 30.24 27.87 1tbc n GLN 54 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1tbc n ARG 55 N -1.65 -2.65 -2.85 -1.09 1.74 -0.98 -1.57 116.66 107.60 1tbc n ARG 55 Ca 0.00 0.31 -0.01 0.00 -0.77 0.00 0.00 57.85 57.37 1tbc n ARG 55 Cb 0.00 -4.96 0.01 0.00 -1.02 0.00 0.00 32.46 26.49 1tbc n ARG 55 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1tbc n ARG 56 N -3.73 -1.21 -0.13 5.56 3.00 -1.26 -4.92 116.66 113.97 1tbc n ARG 56 Ca 0.04 1.28 -0.09 0.00 -0.01 0.00 0.00 57.85 59.07 1tbc n ARG 56 Cb 0.50 -5.15 -0.01 0.00 0.00 0.00 0.00 32.46 27.81 1tbc n ARG 56 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 1tbc h ARG 57 N 0.25 0.58 0.00 5.56 9.65 -1.62 -2.65 114.38 126.14 1tbc h ARG 57 Ca -0.06 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1tbc h ARG 57 Cb 1.03 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 1tbc h ARG 57 CO 0.27 0.56 0.00 -1.00 2.80 0.00 0.00 179.97 182.60 1tbc h PRO 58 N 0.47 0.00 -5.84 0.20 0.13 -1.92 -3.41 132.00 121.63 1tbc h PRO 58 Ca 0.13 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.64 1tbc h PRO 58 Cb 0.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.21 1tbc h PRO 58 CO -0.01 0.00 0.39 0.45 -0.23 0.00 0.00 178.00 178.61 1tbc s SER 59 N -4.84 6.45 0.00 1.44 0.15 -1.00 -4.79 113.70 111.11 1tbc s SER 59 Ca 0.01 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1tbc s SER 59 Cb 0.09 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1tbc s SER 59 CO 0.42 -0.90 0.73 0.00 1.20 0.00 0.00 173.24 174.69 1tbc n GLN 60 N 6.73 0.00 -1.84 5.44 6.02 -1.26 -4.90 117.38 127.56 1tbc n GLN 60 Ca 0.03 -0.55 -0.31 0.00 -0.01 0.00 0.00 57.00 56.15 1tbc n GLN 60 Cb 0.48 -0.30 -0.04 0.00 1.02 0.00 0.00 30.24 31.40 1tbc n GLN 60 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1tbc s GLY 61 N -0.51 -0.13 -1.40 1.08 0.00 -1.26 -2.73 107.32 102.37 1tbc s GLY 61 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1tbc s GLY 61 CO 0.00 3.75 0.00 0.61 0.00 0.00 0.00 173.10 177.46 1tbc n GLY 62 N 6.20 -0.49 0.09 0.20 0.00 -1.26 -4.85 105.19 105.08 1tbc n GLY 62 Ca 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 1tbc n GLY 62 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1tbc h GLN 63 N 0.00 0.12 -6.50 1.61 1.08 -1.84 -3.43 115.11 106.14 1tbc h GLN 63 Ca -0.39 -0.19 -0.50 0.00 -1.45 0.00 0.00 58.65 56.12 1tbc h GLN 63 Cb 1.28 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 28.71 1tbc h GLN 63 CO 0.46 1.06 -0.86 2.41 -0.95 0.00 0.00 178.83 180.94 1tbc n THR 64 N -3.46 -2.69 -0.74 -0.54 -1.04 -1.26 -2.19 114.28 102.35 1tbc n THR 64 Ca -0.03 -0.37 -0.24 0.00 -2.04 0.00 0.00 64.05 61.36 1tbc n THR 64 Cb 0.94 -2.55 0.21 0.00 -1.82 0.00 0.00 70.33 67.11 1tbc n THR 64 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1tbc n HIS 65 N -4.41 -3.65 0.03 -1.42 8.25 -1.21 -3.92 115.22 108.88 1tbc n HIS 65 Ca -0.21 -0.76 -0.01 0.00 -0.26 0.00 0.00 57.72 56.48 1tbc n HIS 65 Cb 0.64 -0.94 -0.00 0.00 1.12 0.00 0.00 29.99 30.80 1tbc n HIS 65 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1tbc n GLN 66 N -4.43 0.03 0.10 -0.41 3.00 -1.26 -4.58 117.38 109.83 1tbc n GLN 66 Ca 0.12 0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.97 1tbc n GLN 66 Cb 0.48 -0.43 -0.13 0.00 0.00 0.00 0.00 30.24 30.16 1tbc n GLN 66 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1tbc h ASP 67 N -0.06 0.41 1.63 1.08 1.82 -1.98 -2.73 116.42 116.59 1tbc h ASP 67 Ca 0.00 -0.43 0.00 0.00 -0.39 0.00 0.00 57.03 56.21 1tbc h ASP 67 Cb 0.06 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 39.94 1tbc h ASP 67 CO 0.00 1.32 -0.34 1.55 -1.61 0.00 0.00 179.24 180.16 1tbc h PRO 68 N 0.09 0.00 -0.23 0.28 0.13 -1.89 -3.36 132.00 127.01 1tbc h PRO 68 Ca -0.12 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.80 1tbc h PRO 68 Cb 1.91 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.76 1tbc h PRO 68 CO 0.20 0.00 -0.86 1.51 -0.23 0.00 0.00 178.00 178.62 1tbc n ILE 69 N -2.91 1.38 1.47 -3.56 0.00 -1.25 -4.83 119.36 109.65 1tbc n ILE 69 Ca 0.03 -2.65 0.10 0.00 0.00 0.00 0.00 62.75 60.22 1tbc n ILE 69 Cb 0.53 0.30 0.57 0.00 0.00 0.00 0.00 39.64 41.04 1tbc n ILE 69 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1tbc n PRO 70 N -0.42 0.74 -0.03 9.51 -0.04 -1.03 -3.25 135.00 140.48 1tbc n PRO 70 Ca 0.17 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.49 1tbc n PRO 70 Cb 0.91 -1.41 -0.14 0.00 -0.04 0.00 0.00 33.50 32.82 1tbc n PRO 70 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1tbc n LYS 71 N -0.91 0.69 -3.50 0.54 2.85 -1.26 -5.02 118.16 111.55 1tbc n LYS 71 Ca 0.14 0.24 -0.10 0.00 -1.05 0.00 0.00 58.31 57.54 1tbc n LYS 71 Cb 0.07 -1.71 -0.03 0.00 -0.65 0.00 0.00 35.03 32.71 1tbc n LYS 71 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1tbc s GLN 72 N -2.56 0.88 0.07 -1.58 1.03 -1.20 -5.04 119.66 111.26 1tbc s GLN 72 Ca -0.15 -0.23 -0.21 0.00 0.04 0.00 0.00 55.36 54.82 1tbc s GLN 72 Cb 0.07 0.41 -0.11 0.00 0.03 0.00 0.00 33.01 33.41 1tbc s GLN 72 CO 0.78 -0.37 1.55 -1.00 -2.54 0.00 0.00 175.29 173.72 1tbc h PRO 73 N 2.15 0.27 -6.77 9.60 0.13 -1.96 -3.47 132.00 131.95 1tbc h PRO 73 Ca -0.24 -0.07 -0.56 0.00 -0.87 0.00 0.00 66.00 64.27 1tbc h PRO 73 Cb 1.23 -0.03 -0.19 0.00 0.13 0.00 0.00 31.00 32.15 1tbc h PRO 73 CO 0.33 0.43 -0.87 0.45 -0.23 0.00 0.00 178.00 178.10 1tbc n SER 74 N -4.80 -1.78 0.00 1.44 2.88 -1.26 -4.11 113.62 105.99 1tbc n SER 74 Ca -0.05 -1.07 0.00 0.00 -1.33 0.00 0.00 58.87 56.42 1tbc n SER 74 Cb 0.17 -2.56 0.00 0.00 -0.75 0.00 0.00 64.21 61.07 1tbc n SER 74 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1tbc n SER 75 N -2.76 0.00 -0.03 -3.46 7.64 -1.26 -4.87 113.62 108.89 1tbc n SER 75 Ca -0.08 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.67 1tbc n SER 75 Cb 0.57 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.67 1tbc n SER 75 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1tbc h GLN 76 N 0.00 0.11 0.00 1.43 7.50 -1.84 0.45 115.11 122.76 1tbc h GLN 76 Ca 0.00 -0.07 0.00 0.00 0.50 0.00 0.00 58.65 59.08 1tbc h GLN 76 Cb 0.00 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.54 1tbc h GLN 76 CO 0.00 0.65 0.00 -0.35 -1.50 0.00 0.00 178.83 177.63 1tbc n PRO 77 N -4.71 0.08 -2.33 1.46 -0.04 -1.00 -3.62 135.00 124.83 1tbc n PRO 77 Ca -0.08 0.18 -0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1tbc n PRO 77 Cb 0.33 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.34 1tbc n PRO 77 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1tbc n ARG 78 N -1.43 1.11 0.00 0.54 1.85 -1.16 -4.82 116.66 112.74 1tbc n ARG 78 Ca 0.05 -2.45 0.00 0.00 -1.00 0.00 0.00 57.85 54.45 1tbc n ARG 78 Cb 0.18 -0.63 0.00 0.00 -1.05 0.00 0.00 32.46 30.97 1tbc n ARG 78 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1tbc n GLY 79 N -0.50 2.12 3.79 2.89 0.00 0.16 -4.83 105.19 108.82 1tbc n GLY 79 Ca -0.02 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1tbc n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tbc s ASP 80 N 1.71 6.72 -1.16 1.61 1.01 -1.22 -4.92 116.67 120.42 1tbc s ASP 80 Ca 0.00 1.95 -0.22 0.00 0.71 0.00 0.00 52.55 54.99 1tbc s ASP 80 Cb 0.00 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 1tbc s ASP 80 CO 0.00 -0.52 1.88 -2.16 0.21 0.00 0.00 175.17 174.58 1tbc s PRO 81 N -2.74 2.83 0.01 8.23 0.04 -1.26 -4.71 135.00 137.40 1tbc s PRO 81 Ca 0.60 -1.21 -0.06 0.00 0.04 0.00 0.00 61.00 60.36 1tbc s PRO 81 Cb -0.19 -5.28 -0.04 0.00 0.04 0.00 0.00 34.50 29.04 1tbc s PRO 81 CO 0.23 -3.52 0.90 1.79 0.04 0.00 0.00 177.00 176.45 1tbc h THR 82 N 6.22 0.00 0.00 1.26 1.35 -1.81 -3.50 112.91 116.44 1tbc h THR 82 Ca 0.24 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1tbc h THR 82 Cb 0.94 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 1tbc h THR 82 CO 1.27 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.15 1tbc n GLY 83 N -0.55 -1.20 1.11 5.82 0.00 -0.66 -4.60 105.19 105.12 1tbc n GLY 83 Ca -0.03 0.68 0.12 0.00 0.00 0.00 0.00 46.02 46.79 1tbc n GLY 83 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tbc n PRO 84 N 0.00 2.47 -0.14 1.61 -0.04 -1.26 -4.31 135.00 133.33 1tbc n PRO 84 Ca 0.00 -2.21 0.07 0.00 -0.04 0.00 0.00 63.50 61.32 1tbc n PRO 84 Cb 0.00 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.16 1tbc n PRO 84 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1tbc n LYS 85 N 1.46 1.73 0.00 0.54 5.02 -1.26 -5.09 118.16 120.56 1tbc n LYS 85 Ca 0.18 -1.12 0.14 0.00 -2.02 0.00 0.00 58.31 55.49 1tbc n LYS 85 Cb 0.61 -1.29 0.82 0.00 -0.02 0.00 0.00 35.03 35.15 1tbc n LYS 85 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27