#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 -5.28 0.00 1.45 2.03 -1.25 -4.97 116.55 108.53 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 -3.11 0.00 0.00 -0.72 0.00 0.00 41.12 37.29 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 -4.05 0.00 0.17 -0.67 -0.04 -1.26 -4.82 135.00 124.33 1tbc n PRO 3 Ca -0.11 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.27 1tbc n PRO 3 Cb 0.59 -0.01 -0.04 0.00 -0.04 0.00 0.00 33.50 34.00 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 0.03 0.00 0.52 2.07 -1.93 -3.47 116.25 113.47 1tbc h VAL 4 Ca 0.00 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1tbc h VAL 4 Cb 0.00 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1tbc h VAL 4 CO 0.00 0.01 0.00 0.47 0.02 0.00 0.00 177.57 178.07 1tbc n ASP 5 N -5.12 0.00 -2.46 0.57 8.00 -1.26 -5.02 116.55 111.26 1tbc n ASP 5 Ca -0.07 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.40 1tbc n ASP 5 Cb 0.21 0.14 0.02 0.00 -0.02 0.00 0.00 41.12 41.46 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 -2.09 0.61 -0.03 -0.24 -0.04 -1.26 -4.45 135.00 127.50 1tbc n PRO 6 Ca 0.00 -0.49 -0.14 0.00 -0.04 0.00 0.00 63.50 62.83 1tbc n PRO 6 Cb 0.00 -0.09 -0.11 0.00 -0.04 0.00 0.00 33.50 33.26 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 -0.07 0.07 0.00 3.54 2.35 -1.77 -3.35 115.58 116.35 1tbc h ASN 7 Ca -0.05 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 55.03 1tbc h ASN 7 Cb 0.21 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1tbc h ASN 7 CO 0.06 0.72 -0.09 2.30 -1.65 0.00 0.00 177.43 178.77 1tbc n ILE 8 N -4.71 0.35 -3.54 2.81 -0.00 -1.26 -4.87 119.36 108.13 1tbc n ILE 8 Ca -0.09 -0.38 -0.24 0.00 -0.00 0.00 0.00 62.75 62.05 1tbc n ILE 8 Cb 0.36 0.71 0.04 0.00 -0.00 0.00 0.00 39.64 40.75 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 -0.21 -1.40 -1.01 6.28 1.02 -1.26 -4.84 120.64 119.23 1tbc n GLU 9 Ca 0.01 0.70 -0.15 0.00 -0.02 0.00 0.00 57.16 57.71 1tbc n GLU 9 Cb 0.50 -4.39 -0.06 0.00 -0.02 0.00 0.00 31.44 27.46 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 -3.53 1.86 -0.77 3.49 -0.04 -1.26 -4.30 135.00 130.45 1tbc n PRO 10 Ca -0.10 -1.28 -0.02 0.00 -0.04 0.00 0.00 63.50 62.07 1tbc n PRO 10 Cb 0.59 -1.75 0.25 0.00 -0.04 0.00 0.00 33.50 32.55 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 1.39 1.55 -3.87 0.54 7.02 -1.26 -4.92 117.44 117.89 1tbc n TRP 11 Ca 0.33 -1.26 -0.35 0.00 -1.02 0.00 0.00 57.50 55.19 1tbc n TRP 11 Cb 0.66 -0.52 -0.14 0.00 -2.42 0.00 0.00 31.31 28.90 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 -1.84 4.52 -0.21 -0.99 2.20 -1.25 -2.80 114.94 114.57 1tbc s ASN 12 Ca 0.48 -0.38 0.02 0.00 -0.94 0.00 0.00 52.86 52.03 1tbc s ASN 12 Cb 0.40 -1.78 0.04 0.00 -2.00 0.00 0.00 41.25 37.90 1tbc s ASN 12 CO 0.07 -0.04 -0.16 -1.00 -2.94 0.00 0.00 177.10 173.03 1tbc s HIS 13 N 1.51 2.96 0.31 1.54 3.76 -1.06 -4.98 115.29 119.32 1tbc s HIS 13 Ca 0.06 -1.91 0.27 0.00 -0.15 0.00 0.00 55.06 53.33 1tbc s HIS 13 Cb -0.15 -1.92 1.29 0.00 1.11 0.00 0.00 32.58 32.92 1tbc s HIS 13 CO -0.02 -0.84 1.99 -1.00 -0.85 0.00 0.00 174.74 174.03 1tbc h PRO 14 N 7.88 0.00 0.00 8.40 0.13 -1.91 -3.45 132.00 143.05 1tbc h PRO 14 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1tbc h PRO 14 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1tbc h PRO 14 CO 0.57 0.15 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 1tbc n GLY 15 N -0.38 1.49 0.19 1.56 0.00 -1.26 -3.09 105.19 103.70 1tbc n GLY 15 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 2.43 0.02 1.61 7.64 -1.26 -4.35 113.62 119.71 1tbc n SER 16 Ca 0.00 -2.49 0.00 0.00 1.01 0.00 0.00 58.87 57.39 1tbc n SER 16 Cb 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 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 -0.72 0.00 0.17 1.43 6.02 -1.26 -3.10 117.38 119.92 1tbc n GLN 17 Ca 0.09 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.21 1tbc n GLN 17 Cb 0.48 0.00 0.60 0.00 1.02 0.00 0.00 30.24 32.34 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 -1.89 1.90 132.00 131.05 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 -0.52 1.63 -0.23 0.00 0.00 178.00 178.88 1tbc n LYS 19 N -2.37 3.62 0.00 0.86 4.76 -1.26 -4.16 118.16 119.61 1tbc n LYS 19 Ca 0.00 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1tbc n LYS 19 Cb 0.14 -0.97 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 1tbc n LYS 19 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1tbc n THR 20 N -1.27 0.00 -0.06 -0.18 5.66 -0.83 -4.81 114.28 112.79 1tbc n THR 20 Ca 0.02 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.08 1tbc n THR 20 Cb 0.15 -0.01 0.27 0.00 -1.55 0.00 0.00 70.33 69.19 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 -1.56 2.98 0.00 1.79 0.00 -0.21 -4.46 120.51 119.05 1tbc n ALA 21 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1tbc n ALA 21 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.00 -0.27 0.00 0.00 4.05 -1.22 -4.15 115.26 113.67 1tbc n ASN 23 Ca 0.00 -0.53 0.00 0.00 0.45 0.00 0.00 54.58 54.50 1tbc n ASN 23 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1tbc n ASN 23 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 177.26 172.10 1tbc n ARG 24 N -0.80 0.00 -2.76 1.20 1.85 -1.26 -5.03 116.66 109.86 1tbc n ARG 24 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.76 1tbc n ARG 24 Cb 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 31.45 1tbc n ARG 24 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1tbc n HIS 26 N -2.82 -2.64 0.31 0.00 -0.00 -1.26 -4.91 115.22 103.90 1tbc n HIS 26 Ca -0.08 0.44 0.12 0.00 -0.00 0.00 0.00 57.72 58.20 1tbc n HIS 26 Cb 0.56 1.37 0.55 0.00 -0.00 0.00 0.00 29.99 32.47 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 0.00 -0.00 0.00 1.79 -1.96 -3.36 116.57 113.04 1tbc h LYS 28 Ca 0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 1tbc h LYS 28 Cb 0.24 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 30.74 1tbc h LYS 28 CO 0.00 0.22 -0.35 0.36 -1.08 0.00 0.00 179.45 178.60 1tbc n LYS 29 N -3.44 0.13 0.04 3.15 0.00 -0.90 -4.66 118.16 112.49 1tbc n LYS 29 Ca -0.00 -1.12 -0.11 0.00 -0.00 0.00 0.00 58.31 57.08 1tbc n LYS 29 Cb 0.40 0.44 -0.06 0.00 -0.00 0.00 0.00 35.03 35.81 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 0.00 -1.05 -0.78 0.00 4.11 -1.26 -4.95 117.16 113.23 1tbc n TYR 32 Ca 0.00 -1.89 0.00 0.00 -0.00 0.00 0.00 57.90 56.01 1tbc n TYR 32 Cb 0.00 1.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.34 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 -1.18 0.00 -3.05 -3.48 8.25 -1.26 -4.07 115.22 110.43 1tbc n HIS 33 Ca -0.09 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.24 1tbc n HIS 33 Cb 0.85 -1.43 0.01 0.00 1.12 0.00 0.00 29.99 30.55 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 0.21 0.73 -3.23 0.00 1.13 -1.26 -5.04 117.38 109.92 1tbc n GLN 35 Ca 0.02 -0.01 -0.12 0.00 -1.94 0.00 0.00 57.00 54.95 1tbc n GLN 35 Cb 0.43 -1.51 0.05 0.00 0.11 0.00 0.00 30.24 29.31 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 -2.75 -9.23 -3.74 5.09 0.31 -1.26 -3.56 118.33 103.18 1tbc n VAL 36 Ca -0.33 -1.03 -0.34 0.00 -0.01 0.00 0.00 64.34 62.63 1tbc n VAL 36 Cb 1.15 -6.49 0.04 0.00 -0.91 0.00 0.00 33.84 27.63 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 -4.28 0.00 -0.31 0.00 -1.74 -1.23 -4.47 117.46 105.43 1tbc n PHE 38 Ca -0.10 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.75 1tbc n PHE 38 Cb 0.59 0.00 0.08 0.00 1.52 0.00 0.00 39.48 41.66 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 1.24 -3.02 1.97 3.07 -1.89 -3.18 117.51 115.71 1tbc h ILE 39 Ca 0.00 -0.59 -0.67 0.00 1.55 0.00 0.00 64.86 65.16 1tbc h ILE 39 Cb 0.00 0.09 -0.10 0.00 -0.27 0.00 0.00 36.82 36.54 1tbc h ILE 39 CO 0.00 0.27 -0.56 -0.89 -1.05 0.00 0.00 178.15 175.92 1tbc s THR 40 N -5.88 4.88 -0.82 0.16 2.01 -1.26 -3.78 115.64 110.94 1tbc s THR 40 Ca -0.13 -0.17 0.21 0.00 0.31 0.00 0.00 61.69 61.92 1tbc s THR 40 Cb 0.16 -3.15 0.20 0.00 0.01 0.00 0.00 72.50 69.72 1tbc s THR 40 CO 0.82 0.50 1.66 0.29 -0.69 0.00 0.00 174.62 177.19 1tbc n LYS 41 N 1.68 0.09 0.00 4.92 4.76 -1.26 -2.26 118.16 126.09 1tbc n LYS 41 Ca -0.17 0.25 0.10 0.00 -2.87 0.00 0.00 58.31 55.62 1tbc n LYS 41 Cb 0.54 -1.64 0.51 0.00 -1.84 0.00 0.00 35.03 32.60 1tbc n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1tbc n GLY 42 N 0.44 -1.01 3.06 0.72 0.00 -1.26 -4.88 105.19 102.27 1tbc n GLY 42 Ca 0.04 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.31 -3.04 -2.30 0.99 4.77 -0.96 -2.56 117.00 112.59 1tbc n LEU 43 Ca 0.09 -0.40 -0.18 0.00 -0.03 0.00 0.00 56.01 55.50 1tbc n LEU 43 Cb 0.18 -2.40 -0.02 0.00 -2.33 0.00 0.00 43.42 38.85 1tbc n LEU 43 CO 0.16 0.48 -0.22 0.61 -1.33 0.00 0.00 177.39 177.10 1tbc n GLY 44 N -1.63 -0.21 0.26 -0.72 0.00 -1.26 -4.43 105.19 97.20 1tbc n GLY 44 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.41 0.00 -0.61 -0.00 -1.72 -3.43 117.51 112.16 1tbc h ILE 45 Ca -0.42 -0.54 -0.03 0.00 -0.00 0.00 0.00 64.86 63.88 1tbc h ILE 45 Cb 1.29 0.60 -0.03 0.00 -0.00 0.00 0.00 36.82 38.68 1tbc h ILE 45 CO 0.51 0.07 -0.07 -0.24 -0.00 0.00 0.00 178.15 178.42 1tbc n SER 46 N -5.21 -0.24 0.03 2.16 2.88 -1.26 -4.98 113.62 107.00 1tbc n SER 46 Ca -0.10 -0.51 0.13 0.00 -1.33 0.00 0.00 58.87 57.06 1tbc n SER 46 Cb 0.29 0.07 0.53 0.00 -0.75 0.00 0.00 64.21 64.35 1tbc n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tbc n TYR 47 N 0.00 0.22 0.00 0.66 0.18 -1.26 -4.89 117.16 112.07 1tbc n TYR 47 Ca -0.07 0.07 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1tbc n TYR 47 Cb 0.35 -0.61 0.00 0.00 -0.38 0.00 0.00 39.34 38.70 1tbc n TYR 47 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1tbc n GLY 48 N 1.16 0.73 3.78 -7.48 0.00 -1.26 -5.11 105.19 97.02 1tbc n GLY 48 Ca 0.06 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 1tbc n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tbc s ARG 49 N -1.06 2.33 0.00 1.61 0.52 -1.26 -4.98 118.95 116.11 1tbc s ARG 49 Ca 0.00 1.00 0.00 0.00 -0.52 0.00 0.00 55.73 56.21 1tbc s ARG 49 Cb 0.00 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.55 1tbc s ARG 49 CO 0.00 -1.54 0.00 0.36 0.02 0.00 0.00 175.30 174.14 1tbc n LYS 50 N -3.43 2.77 -2.61 3.54 0.00 -1.26 -5.14 118.16 112.03 1tbc n LYS 50 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1tbc n LYS 50 Cb 0.54 -0.99 0.00 0.00 -0.00 0.00 0.00 35.03 34.58 1tbc n LYS 50 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1tbc n LYS 51 N -1.82 -0.86 -2.69 -1.58 2.85 -1.26 -5.04 118.16 107.76 1tbc n LYS 51 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 1tbc n LYS 51 Cb 0.34 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.69 1tbc n LYS 51 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1tbc s ARG 52 N -2.00 3.23 0.00 -1.58 3.00 -1.26 -4.83 118.95 115.52 1tbc s ARG 52 Ca 0.00 -0.66 0.07 0.00 0.00 0.00 0.00 55.73 55.14 1tbc s ARG 52 Cb 0.00 -4.38 0.33 0.00 0.00 0.00 0.00 34.95 30.90 1tbc s ARG 52 CO 0.00 -2.01 1.06 -2.13 0.00 0.00 0.00 175.30 172.22 1tbc n ARG 53 N 8.52 0.09 -0.16 3.54 0.00 -1.26 -2.29 116.66 125.10 1tbc n ARG 53 Ca 0.05 0.22 -0.11 0.00 -0.00 0.00 0.00 57.85 58.02 1tbc n ARG 53 Cb 0.48 -1.50 -0.00 0.00 0.00 0.00 0.00 32.46 31.44 1tbc n ARG 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1tbc h GLN 54 N 0.00 0.90 -3.28 -0.14 7.50 -1.88 -3.45 115.11 114.77 1tbc h GLN 54 Ca 0.00 -0.34 -0.39 0.00 0.50 0.00 0.00 58.65 58.42 1tbc h GLN 54 Cb 0.06 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 1tbc h GLN 54 CO 0.00 0.99 -0.51 0.54 -1.50 0.00 0.00 178.83 178.35 1tbc n ARG 55 N -4.24 -2.05 -1.83 1.46 1.74 -0.97 -4.78 116.66 105.99 1tbc n ARG 55 Ca 0.00 0.94 -0.03 0.00 -0.77 0.00 0.00 57.85 57.99 1tbc n ARG 55 Cb 0.38 -5.61 0.04 0.00 -1.02 0.00 0.00 32.46 26.26 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 -3.07 0.64 -0.26 5.56 1.85 -1.26 -4.99 116.66 115.12 1tbc n ARG 56 Ca -0.22 -0.81 -0.03 0.00 -1.00 0.00 0.00 57.85 55.79 1tbc n ARG 56 Cb 0.67 0.37 0.09 0.00 -1.05 0.00 0.00 32.46 32.54 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 0.47 0.87 0.00 2.89 9.65 -1.96 -1.60 114.38 124.70 1tbc h ARG 57 Ca -0.35 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 58.46 1tbc h ARG 57 Cb 1.19 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 29.57 1tbc h ARG 57 CO -0.16 0.57 -0.07 -1.00 2.80 0.00 0.00 179.97 182.11 1tbc h PRO 58 N 0.89 0.00 -6.06 0.20 0.13 -1.94 -3.32 132.00 121.90 1tbc h PRO 58 Ca 0.30 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.83 1tbc h PRO 58 Cb 0.03 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.11 1tbc h PRO 58 CO -0.12 0.07 -0.29 -1.12 -0.23 0.00 0.00 178.00 176.32 1tbc s SER 59 N -5.87 6.59 0.00 1.44 0.01 -0.60 -4.79 113.70 110.48 1tbc s SER 59 Ca 0.01 0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.98 1tbc s SER 59 Cb 0.09 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1tbc s SER 59 CO 0.57 0.18 0.00 0.00 0.41 0.00 0.00 173.24 174.40 1tbc n GLN 60 N 0.87 0.00 -1.25 12.44 0.00 -1.26 -4.93 117.38 123.24 1tbc n GLN 60 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.00 56.92 1tbc n GLN 60 Cb 0.52 -0.06 0.00 0.00 0.00 0.00 0.00 30.24 30.70 1tbc n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1tbc n GLY 61 N 0.01 0.59 2.63 2.61 0.00 -1.26 -3.63 105.19 106.15 1tbc n GLY 61 Ca 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.51 -0.50 0.07 -0.02 0.00 -1.26 -4.82 105.19 98.14 1tbc n GLY 62 Ca 0.00 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1tbc n GLY 62 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1tbc n GLN 63 N -3.24 0.59 -3.27 1.61 -0.06 -1.24 -4.69 117.38 107.09 1tbc n GLN 63 Ca -0.17 -0.15 -0.15 0.00 -2.00 0.00 0.00 57.00 54.53 1tbc n GLN 63 Cb 0.64 -1.50 0.08 0.00 -4.06 0.00 0.00 30.24 25.40 1tbc n GLN 63 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 1tbc n THR 64 N -1.07 -5.36 0.89 1.69 -1.04 -1.26 -2.57 114.28 105.56 1tbc n THR 64 Ca 0.14 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1tbc n THR 64 Cb 0.26 -4.73 0.00 0.00 -1.82 0.00 0.00 70.33 64.04 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 -3.78 0.00 0.00 -1.42 8.25 -1.12 -3.94 115.22 113.21 1tbc n HIS 65 Ca -0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 1tbc n HIS 65 Cb 0.65 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.71 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 -0.05 0.00 0.00 -0.41 3.00 -1.26 -4.06 117.38 114.60 1tbc n GLN 66 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 1tbc n GLN 66 Cb 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.25 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 0.00 0.57 0.53 1.08 1.82 -1.90 -2.79 116.42 115.72 1tbc h ASP 67 Ca 0.00 -0.74 -0.28 0.00 -0.39 0.00 0.00 57.03 55.62 1tbc h ASP 67 Cb 0.00 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 39.85 1tbc h ASP 67 CO 0.00 1.23 -1.26 1.55 -1.61 0.00 0.00 179.24 179.15 1tbc h PRO 68 N -0.04 0.34 -0.90 0.28 0.13 -1.71 -3.38 132.00 126.73 1tbc h PRO 68 Ca -0.07 -0.55 -0.49 0.00 -0.87 0.00 0.00 66.00 64.01 1tbc h PRO 68 Cb 1.31 0.20 -0.42 0.00 0.13 0.00 0.00 31.00 32.22 1tbc h PRO 68 CO 0.12 1.26 -0.88 0.44 -0.23 0.00 0.00 178.00 178.71 1tbc n ILE 69 N -3.59 2.17 0.38 -3.56 -0.00 -1.26 -4.80 119.36 108.71 1tbc n ILE 69 Ca -0.10 -4.09 0.09 0.00 -0.00 0.00 0.00 62.75 58.65 1tbc n ILE 69 Cb 1.02 -0.64 0.39 0.00 -0.00 0.00 0.00 39.64 40.41 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 -0.59 0.10 0.06 6.28 -0.04 -1.05 -2.53 135.00 137.22 1tbc n PRO 70 Ca 0.34 0.38 -0.17 0.00 -0.04 0.00 0.00 63.50 64.02 1tbc n PRO 70 Cb 0.86 -1.70 -0.14 0.00 -0.04 0.00 0.00 33.50 32.48 1tbc n PRO 70 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1tbc h LYS 71 N 0.00 0.24 -2.02 0.54 2.10 -1.87 -3.49 116.57 112.07 1tbc h LYS 71 Ca 0.00 -0.42 0.24 0.00 -2.00 0.00 0.00 60.65 58.47 1tbc h LYS 71 Cb 0.26 0.16 -0.09 0.00 -0.90 0.00 0.00 32.23 31.65 1tbc h LYS 71 CO 0.00 1.10 0.64 1.14 -2.00 0.00 0.00 179.45 180.33 1tbc s GLN 72 N -2.62 0.89 0.03 0.07 1.03 -1.05 -5.04 119.66 112.97 1tbc s GLN 72 Ca -0.09 -0.50 -0.22 0.00 0.04 0.00 0.00 55.36 54.59 1tbc s GLN 72 Cb 0.07 0.29 -0.15 0.00 0.03 0.00 0.00 33.01 33.25 1tbc s GLN 72 CO 0.85 -0.41 1.38 -1.00 -2.54 0.00 0.00 175.29 173.57 1tbc h PRO 73 N 2.00 0.25 -5.80 9.60 0.13 -1.96 -3.44 132.00 132.78 1tbc h PRO 73 Ca -0.27 -0.11 -0.44 0.00 -0.87 0.00 0.00 66.00 64.32 1tbc h PRO 73 Cb 1.22 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1tbc h PRO 73 CO 0.28 0.59 -0.68 0.45 -0.23 0.00 0.00 178.00 178.41 1tbc n SER 74 N -4.70 -4.89 0.00 1.44 2.88 -1.26 -4.38 113.62 102.71 1tbc n SER 74 Ca -0.06 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 1tbc n SER 74 Cb 0.28 -3.93 0.00 0.00 -0.75 0.00 0.00 64.21 59.81 1tbc n SER 74 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1tbc n SER 75 N -2.67 0.00 0.01 -3.46 2.88 -1.26 -4.77 113.62 104.35 1tbc n SER 75 Ca 0.01 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1tbc n SER 75 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 1tbc n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tbc n GLN 76 N 0.00 0.63 0.21 -1.46 3.00 -1.26 -0.46 117.38 118.04 1tbc n GLN 76 Ca 0.00 0.16 0.10 0.00 -0.01 0.00 0.00 57.00 57.25 1tbc n GLN 76 Cb 0.00 -1.75 0.31 0.00 0.00 0.00 0.00 30.24 28.80 1tbc n GLN 76 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1tbc h PRO 77 N 0.00 0.00 0.00 -1.09 0.13 -1.81 -3.32 132.00 125.91 1tbc h PRO 77 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1tbc h PRO 77 Cb 1.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.75 1tbc h PRO 77 CO 0.04 0.20 -0.76 2.89 -0.23 0.00 0.00 178.00 180.15 1tbc n ARG 78 N -3.23 2.05 0.00 0.86 1.85 -1.26 -4.67 116.66 112.26 1tbc n ARG 78 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 1tbc n ARG 78 Cb 0.51 -0.88 0.00 0.00 -1.05 0.00 0.00 32.46 31.05 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 2.59 0.80 3.63 2.89 0.00 0.39 -4.89 105.19 110.60 1tbc n GLY 79 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 6.75 -0.35 1.61 1.11 -0.98 -4.87 116.67 118.94 1tbc s ASP 80 Ca 0.00 1.15 -0.28 0.00 0.18 0.00 0.00 52.55 53.60 1tbc s ASP 80 Cb 0.00 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.43 1tbc s ASP 80 CO 0.00 -1.03 1.83 -2.16 1.18 0.00 0.00 175.17 174.99 1tbc s PRO 81 N 4.03 3.24 -0.14 8.23 0.04 -1.25 -4.24 135.00 144.91 1tbc s PRO 81 Ca 0.53 1.38 -0.22 0.00 0.04 0.00 0.00 61.00 62.74 1tbc s PRO 81 Cb -0.15 -4.23 -0.19 0.00 0.04 0.00 0.00 34.50 29.97 1tbc s PRO 81 CO 0.21 -1.97 0.49 1.15 0.04 0.00 0.00 177.00 176.93 1tbc h THR 82 N 6.84 1.24 0.00 1.26 2.02 -1.87 -3.50 112.91 118.91 1tbc h THR 82 Ca -0.33 -2.01 0.00 0.00 0.77 0.00 0.00 66.41 64.84 1tbc h THR 82 Cb 1.17 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 1tbc h THR 82 CO 1.05 0.42 0.00 0.61 0.37 0.00 0.00 175.52 177.97 1tbc n GLY 83 N 1.61 -0.04 1.05 2.16 0.00 -1.18 -4.93 105.19 103.86 1tbc n GLY 83 Ca -0.12 0.39 0.12 0.00 0.00 0.00 0.00 46.02 46.41 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 2.37 -0.05 1.61 -0.04 -1.25 -4.28 135.00 133.37 1tbc n PRO 84 Ca 0.00 -2.08 0.10 0.00 -0.04 0.00 0.00 63.50 61.48 1tbc n PRO 84 Cb 0.00 -1.49 0.45 0.00 -0.04 0.00 0.00 33.50 32.41 1tbc n PRO 84 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1tbc n LYS 85 N 1.29 1.44 0.00 0.54 2.85 -1.26 -5.09 118.16 117.92 1tbc n LYS 85 Ca 0.19 -0.66 0.09 0.00 -1.05 0.00 0.00 58.31 56.89 1tbc n LYS 85 Cb 0.56 -1.35 0.55 0.00 -0.65 0.00 0.00 35.03 34.14 1tbc n LYS 85 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74