#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 -5.32 0.00 1.45 2.03 -1.13 -4.97 116.55 108.60 1tbc n ASP 2 Ca 0.00 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.31 1tbc n ASP 2 Cb 0.00 -3.19 0.00 0.00 -0.72 0.00 0.00 41.12 37.21 1tbc n ASP 2 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1tbc n PRO 3 N -4.06 0.00 0.06 -0.67 -0.04 -1.26 -4.74 135.00 124.30 1tbc n PRO 3 Ca -0.10 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.24 1tbc n PRO 3 Cb 0.59 -0.05 -0.08 0.00 -0.04 0.00 0.00 33.50 33.92 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 0.93 0.00 0.52 2.07 -1.93 -3.47 116.25 114.37 1tbc h VAL 4 Ca 0.00 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1tbc h VAL 4 Cb 0.00 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1tbc h VAL 4 CO 0.00 0.23 0.00 0.47 0.02 0.00 0.00 177.57 178.29 1tbc n ASP 5 N -4.94 0.00 -2.32 0.57 8.00 -1.26 -5.13 116.55 111.47 1tbc n ASP 5 Ca -0.08 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.39 1tbc n ASP 5 Cb 0.27 0.25 0.01 0.00 -0.02 0.00 0.00 41.12 41.63 1tbc n ASP 5 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1tbc n PRO 6 N -1.89 0.62 -0.02 -0.24 -0.04 -1.26 -3.79 135.00 128.37 1tbc n PRO 6 Ca 0.00 -0.34 -0.13 0.00 -0.04 0.00 0.00 63.50 62.99 1tbc n PRO 6 Cb 0.00 -0.07 -0.10 0.00 -0.04 0.00 0.00 33.50 33.29 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 -0.05 -0.03 0.00 3.54 2.35 -1.57 -3.36 115.58 116.46 1tbc h ASN 7 Ca -0.04 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 55.07 1tbc h ASN 7 Cb 0.15 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1tbc h ASN 7 CO 0.04 0.65 -0.18 2.30 -1.65 0.00 0.00 177.43 178.59 1tbc n ILE 8 N -4.78 0.44 -3.54 2.81 -0.00 -1.26 -4.90 119.36 108.13 1tbc n ILE 8 Ca -0.09 -0.49 -0.21 0.00 -0.00 0.00 0.00 62.75 61.96 1tbc n ILE 8 Cb 0.33 0.55 0.02 0.00 -0.00 0.00 0.00 39.64 40.55 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 -0.29 -1.34 -0.93 6.28 1.02 -1.26 -4.87 120.64 119.24 1tbc n GLU 9 Ca 0.02 0.82 -0.20 0.00 -0.02 0.00 0.00 57.16 57.79 1tbc n GLU 9 Cb 0.56 -4.12 0.07 0.00 -0.02 0.00 0.00 31.44 27.93 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 -3.13 1.96 -1.89 3.49 -0.04 -1.26 -4.54 135.00 129.58 1tbc n PRO 10 Ca -0.13 -2.01 -0.36 0.00 -0.04 0.00 0.00 63.50 60.97 1tbc n PRO 10 Cb 0.59 -1.79 0.04 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.21 3.09 -3.12 0.54 7.02 -1.26 -4.75 117.44 118.76 1tbc n TRP 11 Ca 0.39 -2.60 -0.16 0.00 -1.02 0.00 0.00 57.50 54.11 1tbc n TRP 11 Cb 0.83 -1.01 -0.05 0.00 -2.42 0.00 0.00 31.31 28.66 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 -1.82 0.14 0.30 -0.99 2.20 -1.13 -4.48 114.94 109.16 1tbc s ASN 12 Ca 0.54 -2.36 0.10 0.00 -0.94 0.00 0.00 52.86 50.20 1tbc s ASN 12 Cb 0.45 0.66 -0.05 0.00 -2.00 0.00 0.00 41.25 40.31 1tbc s ASN 12 CO -0.26 -0.13 -0.02 -1.00 -2.94 0.00 0.00 177.10 172.75 1tbc s HIS 13 N 0.54 2.58 -0.70 1.54 3.76 -1.05 -4.98 115.29 116.98 1tbc s HIS 13 Ca 0.30 -0.31 0.26 0.00 -0.15 0.00 0.00 55.06 55.15 1tbc s HIS 13 Cb 0.00 -1.28 0.73 0.00 1.11 0.00 0.00 32.58 33.15 1tbc s HIS 13 CO -0.12 0.58 1.72 -1.00 -0.85 0.00 0.00 174.74 175.07 1tbc h PRO 14 N 1.91 0.00 -0.56 8.40 0.13 -1.92 -3.37 132.00 136.58 1tbc h PRO 14 Ca -0.43 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 1tbc h PRO 14 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1tbc h PRO 14 CO 0.62 0.00 -0.13 0.41 -0.23 0.00 0.00 178.00 178.67 1tbc n GLY 15 N 1.30 0.49 0.00 1.56 0.00 -1.26 -4.72 105.19 102.55 1tbc n GLY 15 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1tbc n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1tbc n SER 16 N 0.95 0.00 0.10 1.61 7.64 -1.26 -4.82 113.62 117.84 1tbc n SER 16 Ca -0.07 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.81 1tbc n SER 16 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1tbc n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tbc n GLN 17 N 0.00 0.00 0.11 1.43 6.02 -1.26 -3.09 117.38 120.59 1tbc n GLN 17 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.09 1tbc n GLN 17 Cb 0.35 -0.04 0.45 0.00 1.02 0.00 0.00 30.24 32.03 1tbc n GLN 17 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1tbc n PRO 18 N -3.22 0.15 -0.41 -1.09 -0.04 -1.26 -1.25 135.00 127.88 1tbc n PRO 18 Ca 0.00 0.43 0.02 0.00 -0.04 0.00 0.00 63.50 63.91 1tbc n PRO 18 Cb 0.00 -1.81 0.03 0.00 -0.04 0.00 0.00 33.50 31.69 1tbc n PRO 18 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1tbc n LYS 19 N -2.09 0.30 0.00 0.54 2.85 -1.26 -4.60 118.16 113.90 1tbc n LYS 19 Ca 0.02 -1.38 0.00 0.00 -1.05 0.00 0.00 58.31 55.90 1tbc n LYS 19 Cb 0.18 -0.73 0.00 0.00 -0.65 0.00 0.00 35.03 33.84 1tbc n LYS 19 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1tbc n THR 20 N -0.33 0.00 -0.90 0.58 -1.04 -1.13 -4.85 114.28 106.62 1tbc n THR 20 Ca 0.04 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.77 1tbc n THR 20 Cb 0.69 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.18 1tbc n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1tbc n ALA 21 N -1.46 5.06 -4.25 2.41 0.00 -0.38 -4.51 120.51 117.38 1tbc n ALA 21 Ca 0.00 -2.41 -0.37 0.00 0.00 0.00 0.00 53.44 50.66 1tbc n ALA 21 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 19.45 16.29 1tbc n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tbc n ASN 23 N -2.64 0.00 0.00 0.00 0.23 -1.26 -4.94 115.26 106.64 1tbc n ASN 23 Ca 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.12 1tbc n ASN 23 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 1tbc n ASN 23 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1tbc n ARG 24 N 0.00 0.00 -3.20 -3.83 1.74 -1.26 -4.88 116.66 105.23 1tbc n ARG 24 Ca 0.00 0.76 -0.15 0.00 -0.77 0.00 0.00 57.85 57.69 1tbc n ARG 24 Cb 0.00 -1.34 0.06 0.00 -1.02 0.00 0.00 32.46 30.16 1tbc n ARG 24 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1tbc n HIS 26 N -3.94 0.00 0.07 0.00 -0.00 -1.26 -4.94 115.22 105.15 1tbc n HIS 26 Ca -0.07 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.66 1tbc n HIS 26 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.56 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 0.24 0.17 -0.05 0.00 3.64 -1.95 -3.37 116.57 115.25 1tbc h LYS 28 Ca 0.00 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 1tbc h LYS 28 Cb 0.06 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1tbc h LYS 28 CO 0.00 0.96 -0.27 0.36 -2.27 0.00 0.00 179.45 178.23 1tbc n LYS 29 N -3.34 1.57 -0.88 1.90 0.00 -1.26 -4.63 118.16 111.51 1tbc n LYS 29 Ca -0.18 -3.03 -0.26 0.00 -0.00 0.00 0.00 58.31 54.83 1tbc n LYS 29 Cb 1.04 -1.61 -0.02 0.00 -0.00 0.00 0.00 35.03 34.44 1tbc n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1tbc n TYR 32 N -0.49 -1.43 -0.84 0.00 4.11 -1.26 -4.95 117.16 112.30 1tbc n TYR 32 Ca -0.03 -1.92 0.00 0.00 -0.00 0.00 0.00 57.90 55.95 1tbc n TYR 32 Cb 0.11 1.16 0.00 0.00 -0.00 0.00 0.00 39.34 40.61 1tbc n TYR 32 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 1tbc n HIS 33 N -1.05 0.00 -3.34 -3.48 8.25 -1.26 -3.93 115.22 110.41 1tbc n HIS 33 Ca -0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.25 1tbc n HIS 33 Cb 0.86 -1.35 0.00 0.00 1.12 0.00 0.00 29.99 30.62 1tbc n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tbc h GLN 35 N 0.45 0.29 -5.71 0.00 1.08 -1.79 -3.43 115.11 106.00 1tbc h GLN 35 Ca -0.27 -0.50 -0.22 0.00 -1.45 0.00 0.00 58.65 56.20 1tbc h GLN 35 Cb 1.17 0.19 0.08 0.00 -0.05 0.00 0.00 27.48 28.88 1tbc h GLN 35 CO 0.31 1.24 -0.59 0.28 -0.95 0.00 0.00 178.83 179.13 1tbc n VAL 36 N -3.73 -8.31 -2.78 -0.54 0.31 -1.26 -4.32 118.33 97.70 1tbc n VAL 36 Ca -0.27 -0.74 -0.03 0.00 -0.01 0.00 0.00 64.34 63.30 1tbc n VAL 36 Cb 0.99 -5.88 -0.02 0.00 -0.91 0.00 0.00 33.84 28.01 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 1.55 0.00 -0.04 0.00 -1.74 -1.26 -4.23 117.46 111.73 1tbc n PHE 38 Ca -0.20 0.00 0.03 0.00 -0.56 0.00 0.00 57.45 56.73 1tbc n PHE 38 Cb 0.36 0.00 0.39 0.00 1.52 0.00 0.00 39.48 41.75 1tbc n PHE 38 CO 0.00 0.00 0.00 -0.84 -0.56 0.00 0.00 176.76 175.36 1tbc h ILE 39 N 0.00 1.12 -4.46 1.97 3.07 -1.85 -2.20 117.51 115.17 1tbc h ILE 39 Ca 0.00 -0.23 -0.70 0.00 1.55 0.00 0.00 64.86 65.48 1tbc h ILE 39 Cb 0.00 0.44 -0.29 0.00 -0.27 0.00 0.00 36.82 36.70 1tbc h ILE 39 CO 0.00 0.12 -0.86 -0.89 -1.05 0.00 0.00 178.15 175.47 1tbc s THR 40 N -5.55 2.28 0.03 0.16 2.01 -1.26 -2.85 115.64 110.46 1tbc s THR 40 Ca -0.09 -1.02 0.33 0.00 0.31 0.00 0.00 61.69 61.22 1tbc s THR 40 Cb 0.17 -1.81 0.37 0.00 0.01 0.00 0.00 72.50 71.24 1tbc s THR 40 CO 0.74 0.58 1.96 0.07 -0.69 0.00 0.00 174.62 177.28 1tbc h LYS 41 N 5.49 0.00 0.00 4.92 2.10 -2.01 -2.91 116.57 124.15 1tbc h LYS 41 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1tbc h LYS 41 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1tbc h LYS 41 CO 0.48 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.34 1tbc n GLY 42 N -0.03 -0.45 2.83 0.07 0.00 -1.26 -4.82 105.19 101.53 1tbc n GLY 42 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1tbc n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tbc n LEU 43 N -1.28 -2.71 -2.01 0.99 4.77 -1.10 -2.66 117.00 112.99 1tbc n LEU 43 Ca 0.02 -0.30 -0.16 0.00 -0.03 0.00 0.00 56.01 55.54 1tbc n LEU 43 Cb 0.04 -2.27 -0.03 0.00 -2.33 0.00 0.00 43.42 38.83 1tbc n LEU 43 CO 0.04 0.33 -0.19 0.61 -1.33 0.00 0.00 177.39 176.86 1tbc n GLY 44 N -1.45 0.38 0.10 -0.72 0.00 -1.26 -4.51 105.19 97.73 1tbc n GLY 44 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 1tbc n GLY 44 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1tbc h ILE 45 N 0.00 1.07 0.00 -0.61 -0.00 -1.75 -3.44 117.51 112.77 1tbc h ILE 45 Ca -0.36 -0.76 -0.02 0.00 -0.00 0.00 0.00 64.86 63.72 1tbc h ILE 45 Cb 1.19 1.55 -0.02 0.00 -0.00 0.00 0.00 36.82 39.54 1tbc h ILE 45 CO 0.47 0.18 -0.04 -1.54 -0.00 0.00 0.00 178.15 177.22 1tbc n SER 46 N -4.99 -0.13 0.18 2.16 3.41 -1.26 -4.99 113.62 107.99 1tbc n SER 46 Ca -0.09 -0.30 0.07 0.00 -0.26 0.00 0.00 58.87 58.29 1tbc n SER 46 Cb 0.22 0.04 0.16 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.93 -3.47 116.97 118.90 1tbc h TYR 47 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.65 1tbc h TYR 47 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.28 1tbc h TYR 47 CO -0.04 0.30 0.00 0.41 -0.00 0.00 0.00 178.16 178.84 1tbc n GLY 48 N 0.97 0.54 3.76 0.10 0.00 -1.26 -5.12 105.19 104.18 1tbc n GLY 48 Ca 0.02 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 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 2.31 0.00 1.61 3.52 -1.26 -4.98 118.95 120.15 1tbc s ARG 49 Ca 0.00 1.26 0.03 0.00 -0.13 0.00 0.00 55.73 56.89 1tbc s ARG 49 Cb 0.00 -1.90 -0.00 0.00 -1.56 0.00 0.00 34.95 31.49 1tbc s ARG 49 CO 0.00 -1.61 0.33 0.36 -0.81 0.00 0.00 175.30 173.56 1tbc n LYS 50 N -3.28 3.03 0.00 5.12 0.00 -1.26 -5.01 118.16 116.76 1tbc n LYS 50 Ca 0.10 -0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.10 1tbc n LYS 50 Cb 0.53 -0.82 0.00 0.00 -0.00 0.00 0.00 35.03 34.74 1tbc n LYS 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1tbc n LYS 51 N -0.49 0.00 0.00 -1.58 3.00 -1.26 -4.48 118.16 113.35 1tbc n LYS 51 Ca 0.01 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.40 1tbc n LYS 51 Cb 0.05 -0.04 0.39 0.00 0.00 0.00 0.00 35.03 35.43 1tbc n LYS 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1tbc n ARG 52 N 0.00 0.17 0.33 1.64 5.12 -1.26 -3.04 116.66 119.62 1tbc n ARG 52 Ca 0.00 0.16 0.21 0.00 -1.93 0.00 0.00 57.85 56.28 1tbc n ARG 52 Cb 0.00 -1.50 1.10 0.00 -1.16 0.00 0.00 32.46 30.90 1tbc n ARG 52 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 1tbc h ARG 53 N 0.00 0.00 -0.40 5.56 -0.00 -2.00 -1.32 114.38 116.22 1tbc h ARG 53 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 59.98 59.85 1tbc h ARG 53 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.14 1tbc h ARG 53 CO 0.00 0.00 -0.27 1.96 -0.00 0.00 0.00 179.97 181.66 1tbc h GLN 54 N 0.00 0.86 -2.36 0.08 4.20 -1.94 -3.43 115.11 112.51 1tbc h GLN 54 Ca 0.00 -0.38 -0.37 0.00 0.06 0.00 0.00 58.65 57.96 1tbc h GLN 54 Cb 0.19 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.87 1tbc h GLN 54 CO -0.00 1.02 -0.42 0.54 -0.67 0.00 0.00 178.83 179.31 1tbc n ARG 55 N -4.09 -1.66 -2.39 1.46 1.74 -0.50 -4.75 116.66 106.47 1tbc n ARG 55 Ca -0.00 0.97 -0.02 0.00 -0.77 0.00 0.00 57.85 58.02 1tbc n ARG 55 Cb 0.47 -5.49 0.10 0.00 -1.02 0.00 0.00 32.46 26.52 1tbc n ARG 55 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1tbc n ARG 56 N -2.64 1.10 -0.24 5.56 1.85 -1.26 -5.00 116.66 116.03 1tbc n ARG 56 Ca -0.20 -1.05 0.02 0.00 -1.00 0.00 0.00 57.85 55.61 1tbc n ARG 56 Cb 0.64 0.39 0.14 0.00 -1.05 0.00 0.00 32.46 32.58 1tbc n ARG 56 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1tbc h ARG 57 N 0.80 0.53 0.00 2.89 9.65 -1.95 -0.44 114.38 125.86 1tbc h ARG 57 Ca -0.41 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1tbc h ARG 57 Cb 1.27 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1tbc h ARG 57 CO -0.18 0.35 0.00 -1.00 2.80 0.00 0.00 179.97 181.95 1tbc h PRO 58 N 0.55 0.00 -6.39 0.20 0.13 -2.01 -3.41 132.00 121.08 1tbc h PRO 58 Ca 0.35 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.92 1tbc h PRO 58 Cb 0.41 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.45 1tbc h PRO 58 CO -0.29 0.00 0.94 -1.12 -0.23 0.00 0.00 178.00 177.30 1tbc s SER 59 N -5.10 6.34 0.00 1.44 0.01 -0.18 -4.73 113.70 111.47 1tbc s SER 59 Ca 0.02 -0.16 0.11 0.00 1.31 0.00 0.00 55.95 57.23 1tbc s SER 59 Cb 0.09 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.97 1tbc s SER 59 CO 0.47 -1.56 1.01 0.00 0.41 0.00 0.00 173.24 173.57 1tbc n GLN 60 N 8.60 0.00 -2.31 12.44 6.02 -1.26 -4.83 117.38 136.03 1tbc n GLN 60 Ca 0.06 -1.31 -0.41 0.00 -0.01 0.00 0.00 57.00 55.32 1tbc n GLN 60 Cb 0.49 0.02 -0.01 0.00 1.02 0.00 0.00 30.24 31.76 1tbc n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1tbc n GLY 61 N 0.22 2.67 1.41 1.08 0.00 -1.26 -3.39 105.19 105.91 1tbc n GLY 61 Ca -0.04 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1tbc n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tbc n GLY 62 N 5.20 0.59 0.21 -0.02 0.00 -1.26 -4.95 105.19 104.97 1tbc n GLY 62 Ca 0.49 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -6.54 1.61 1.08 -1.83 -3.38 115.11 106.05 1tbc h GLN 63 Ca 0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 1tbc h GLN 63 Cb 0.06 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.42 1tbc h GLN 63 CO 0.00 0.16 -0.89 2.41 -0.95 0.00 0.00 178.83 179.56 1tbc n THR 64 N -3.19 -2.88 -1.36 -0.54 -1.04 -1.26 -2.54 114.28 101.47 1tbc n THR 64 Ca 0.02 -0.49 -0.29 0.00 -2.04 0.00 0.00 64.05 61.26 1tbc n THR 64 Cb 0.51 -2.52 0.16 0.00 -1.82 0.00 0.00 70.33 66.66 1tbc n THR 64 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1tbc s HIS 65 N -3.98 2.25 -0.06 -1.42 3.76 -1.26 -4.51 115.29 110.07 1tbc s HIS 65 Ca 0.02 0.88 -0.02 0.00 -0.15 0.00 0.00 55.06 55.80 1tbc s HIS 65 Cb -0.01 -3.35 -0.03 0.00 1.11 0.00 0.00 32.58 30.30 1tbc s HIS 65 CO 0.90 -2.67 -0.07 1.04 -0.85 0.00 0.00 174.74 173.09 1tbc n GLN 66 N -3.99 0.14 -0.00 1.40 3.00 -1.26 -4.35 117.38 112.32 1tbc n GLN 66 Ca 0.06 0.05 -0.17 0.00 -0.01 0.00 0.00 57.00 56.93 1tbc n GLN 66 Cb 0.58 -0.89 -0.13 0.00 0.00 0.00 0.00 30.24 29.80 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 -0.13 0.27 0.54 1.08 3.58 -1.83 -2.88 116.42 117.06 1tbc h ASP 67 Ca -0.15 -0.94 -0.24 0.00 0.42 0.00 0.00 57.03 56.12 1tbc h ASP 67 Cb 1.17 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1tbc h ASP 67 CO -0.06 1.19 -1.08 1.55 -2.88 0.00 0.00 179.24 177.96 1tbc h PRO 68 N -0.60 0.29 -1.23 0.28 0.13 -1.96 -3.37 132.00 125.54 1tbc h PRO 68 Ca -0.07 -0.40 -0.50 0.00 -0.87 0.00 0.00 66.00 64.15 1tbc h PRO 68 Cb 1.32 0.13 -0.41 0.00 0.13 0.00 0.00 31.00 32.17 1tbc h PRO 68 CO 0.08 1.13 -0.89 0.44 -0.23 0.00 0.00 178.00 178.54 1tbc n ILE 69 N -3.61 1.95 0.40 -3.56 -5.35 -1.26 -4.79 119.36 103.13 1tbc n ILE 69 Ca -0.07 -4.23 0.05 0.00 -0.27 0.00 0.00 62.75 58.23 1tbc n ILE 69 Cb 0.93 -0.58 0.23 0.00 -1.74 0.00 0.00 39.64 38.47 1tbc n ILE 69 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1tbc n PRO 70 N -0.40 0.07 -0.19 6.28 -0.04 -1.09 -2.77 135.00 136.86 1tbc n PRO 70 Ca 0.30 0.26 -0.02 0.00 -0.04 0.00 0.00 63.50 64.00 1tbc n PRO 70 Cb 0.75 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.79 1tbc n PRO 70 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1tbc h LYS 71 N 0.00 0.49 0.00 0.54 6.56 -1.87 -3.47 116.57 118.82 1tbc h LYS 71 Ca 0.00 -0.03 0.08 0.00 -1.06 0.00 0.00 60.65 59.64 1tbc h LYS 71 Cb 0.13 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 1tbc h LYS 71 CO 0.00 0.32 0.24 0.00 -2.06 0.00 0.00 179.45 177.95 1tbc n GLN 72 N -4.90 0.14 -0.04 3.15 -0.00 -1.11 -5.02 117.38 109.59 1tbc n GLN 72 Ca 0.07 -0.38 -0.11 0.00 -0.00 0.00 0.00 57.00 56.58 1tbc n GLN 72 Cb 0.20 0.55 -0.05 0.00 -0.00 0.00 0.00 30.24 30.94 1tbc n GLN 72 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1tbc h PRO 73 N 0.00 0.24 -4.03 2.61 0.13 -1.92 -3.47 132.00 125.56 1tbc h PRO 73 Ca -0.08 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1tbc h PRO 73 Cb 0.39 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1tbc h PRO 73 CO 0.11 0.30 -0.97 0.45 -0.23 0.00 0.00 178.00 177.66 1tbc n SER 74 N -4.88 -9.10 -2.59 1.44 2.88 -1.26 -4.40 113.62 95.71 1tbc n SER 74 Ca -0.04 1.33 -0.19 0.00 -1.33 0.00 0.00 58.87 58.64 1tbc n SER 74 Cb 0.11 -5.25 0.00 0.00 -0.75 0.00 0.00 64.21 58.32 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 -0.73 -5.33 0.14 -3.46 7.64 -1.26 -4.57 113.62 106.05 1tbc n SER 75 Ca 0.00 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1tbc n SER 75 Cb 0.00 -4.43 0.00 0.00 -1.01 0.00 0.00 64.21 58.77 1tbc n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tbc n GLN 76 N -3.20 0.00 0.25 1.43 6.02 -1.26 -2.76 117.38 117.85 1tbc n GLN 76 Ca -0.18 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 56.96 1tbc n GLN 76 Cb 0.65 -0.02 0.47 0.00 1.02 0.00 0.00 30.24 32.36 1tbc n GLN 76 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1tbc h PRO 77 N 0.00 0.00 0.00 -1.09 0.13 -1.80 -3.30 132.00 125.94 1tbc h PRO 77 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1tbc h PRO 77 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1tbc h PRO 77 CO 0.00 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.31 1tbc n ARG 78 N -3.05 0.47 0.00 0.86 1.74 -1.26 -4.72 116.66 110.70 1tbc n ARG 78 Ca 0.02 -0.58 0.00 0.00 -0.77 0.00 0.00 57.85 56.52 1tbc n ARG 78 Cb 0.40 -0.70 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 1tbc n ARG 78 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tbc n GLY 79 N -0.11 1.83 3.75 -0.13 0.00 -1.24 -4.91 105.19 104.38 1tbc n GLY 79 Ca 0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 1.00 7.38 -0.96 1.61 1.01 -1.11 -4.80 116.67 120.80 1tbc s ASP 80 Ca 0.00 2.14 -0.24 0.00 0.71 0.00 0.00 52.55 55.16 1tbc s ASP 80 Cb 0.00 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.30 1tbc s ASP 80 CO 0.00 -0.07 1.78 -2.16 0.21 0.00 0.00 175.17 174.93 1tbc s PRO 81 N -1.14 2.92 -0.04 8.23 0.04 -1.26 -4.28 135.00 139.46 1tbc s PRO 81 Ca 0.44 -0.62 -0.23 0.00 0.04 0.00 0.00 61.00 60.63 1tbc s PRO 81 Cb -0.30 -5.17 -0.18 0.00 0.04 0.00 0.00 34.50 28.89 1tbc s PRO 81 CO 0.37 -3.00 1.03 1.79 0.04 0.00 0.00 177.00 177.24 1tbc h THR 82 N 7.05 1.03 0.00 1.26 1.35 -1.85 -3.50 112.91 118.24 1tbc h THR 82 Ca 0.14 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1tbc h THR 82 Cb 1.00 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1tbc h THR 82 CO 1.29 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 177.41 1tbc n GLY 83 N 0.41 -2.03 1.35 5.82 0.00 -1.26 -4.95 105.19 104.53 1tbc n GLY 83 Ca -0.08 0.83 0.10 0.00 0.00 0.00 0.00 46.02 46.86 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 2.98 0.00 1.61 -0.04 -1.26 -4.20 135.00 134.09 1tbc n PRO 84 Ca 0.00 -2.50 0.14 0.00 -0.04 0.00 0.00 63.50 61.09 1tbc n PRO 84 Cb 0.00 -1.67 0.48 0.00 -0.04 0.00 0.00 33.50 32.27 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 1.27 0.89 0.00 0.54 4.76 -1.26 -5.08 118.16 119.28 1tbc n LYS 85 Ca 0.23 -0.46 0.12 0.00 -2.87 0.00 0.00 58.31 55.33 1tbc n LYS 85 Cb 0.68 -1.49 0.70 0.00 -1.84 0.00 0.00 35.03 33.09 1tbc n LYS 85 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42