#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 -7.47 0.00 1.96 2.03 -1.20 -5.02 116.55 106.86 1tbc n ASP 2 Ca 0.00 -0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1tbc n ASP 2 Cb 0.00 -4.83 0.00 0.00 -0.72 0.00 0.00 41.12 35.57 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 -1.40 0.00 0.10 -0.67 -0.04 -1.26 -4.78 135.00 126.95 1tbc n PRO 3 Ca -0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1tbc n PRO 3 Cb 0.52 -0.11 -0.07 0.00 -0.04 0.00 0.00 33.50 33.80 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 0.64 0.00 0.52 2.07 -1.95 -3.48 116.25 114.06 1tbc h VAL 4 Ca 0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1tbc h VAL 4 Cb 0.00 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1tbc h VAL 4 CO 0.00 0.16 0.00 0.47 0.02 0.00 0.00 177.57 178.22 1tbc n ASP 5 N -5.00 -1.89 -2.04 0.57 8.00 -1.26 -5.13 116.55 109.80 1tbc n ASP 5 Ca -0.08 0.44 -0.00 0.00 0.71 0.00 0.00 54.79 55.86 1tbc n ASP 5 Cb 0.25 1.99 0.00 0.00 -0.02 0.00 0.00 41.12 43.35 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 -2.88 0.80 -0.04 -0.24 -0.04 -1.26 -3.42 135.00 127.92 1tbc n PRO 6 Ca 0.00 -0.04 -0.12 0.00 -0.04 0.00 0.00 63.50 63.30 1tbc n PRO 6 Cb 0.00 -0.01 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 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 -0.02 0.00 3.54 2.35 -1.06 -3.37 115.58 117.01 1tbc h ASN 7 Ca -0.00 -0.73 0.00 0.00 -0.55 0.00 0.00 56.30 55.01 1tbc h ASN 7 Cb 0.02 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1tbc h ASN 7 CO 0.01 0.77 -0.19 2.30 -1.65 0.00 0.00 177.43 178.67 1tbc n ILE 8 N -4.71 0.41 -3.42 2.81 -0.00 -1.26 -4.91 119.36 108.27 1tbc n ILE 8 Ca -0.09 -0.46 -0.16 0.00 -0.00 0.00 0.00 62.75 62.04 1tbc n ILE 8 Cb 0.37 0.56 0.02 0.00 -0.00 0.00 0.00 39.64 40.59 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 -0.28 -1.45 -0.97 6.28 1.02 -1.26 -4.86 120.64 119.12 1tbc n GLU 9 Ca 0.02 0.97 -0.19 0.00 -0.02 0.00 0.00 57.16 57.94 1tbc n GLU 9 Cb 0.57 -4.55 0.03 0.00 -0.02 0.00 0.00 31.44 27.48 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 -2.81 1.92 -1.91 3.49 -0.04 -1.26 -4.55 135.00 129.83 1tbc n PRO 10 Ca -0.10 -1.76 -0.35 0.00 -0.04 0.00 0.00 63.50 61.25 1tbc n PRO 10 Cb 0.58 -1.71 0.04 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.28 3.11 -3.22 0.54 7.02 -1.26 -4.77 117.44 119.14 1tbc n TRP 11 Ca 0.34 -2.63 -0.18 0.00 -1.02 0.00 0.00 57.50 54.01 1tbc n TRP 11 Cb 0.58 -0.95 -0.06 0.00 -2.42 0.00 0.00 31.31 28.46 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 -1.97 0.58 -0.05 -0.99 2.20 -1.18 -4.44 114.94 109.09 1tbc s ASN 12 Ca 0.54 -2.23 -0.04 0.00 -0.94 0.00 0.00 52.86 50.18 1tbc s ASN 12 Cb 0.44 0.51 -0.04 0.00 -2.00 0.00 0.00 41.25 40.16 1tbc s ASN 12 CO -0.24 -0.17 0.17 -1.00 -2.94 0.00 0.00 177.10 172.92 1tbc s HIS 13 N 0.72 3.57 -0.59 1.54 3.76 -1.08 -4.97 115.29 118.24 1tbc s HIS 13 Ca 0.27 0.42 0.21 0.00 -0.15 0.00 0.00 55.06 55.81 1tbc s HIS 13 Cb -0.04 -1.87 0.89 0.00 1.11 0.00 0.00 32.58 32.67 1tbc s HIS 13 CO -0.10 0.68 1.64 -0.35 -0.85 0.00 0.00 174.74 175.76 1tbc n PRO 14 N 1.31 0.14 -1.17 8.40 -0.04 -1.26 -4.40 135.00 137.98 1tbc n PRO 14 Ca -0.14 0.40 -0.06 0.00 -0.04 0.00 0.00 63.50 63.66 1tbc n PRO 14 Cb 0.53 -1.79 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 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 -0.10 0.81 0.00 0.55 0.00 -1.26 -2.06 105.19 103.13 1tbc n GLY 15 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.29 0.00 0.09 1.61 7.64 -1.26 -4.20 113.62 117.79 1tbc n SER 16 Ca -0.06 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.82 1tbc n SER 16 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.23 1.43 6.02 -1.26 -3.28 117.38 120.53 1tbc n GLN 17 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.08 1tbc n GLN 17 Cb 0.33 -0.03 0.57 0.00 1.02 0.00 0.00 30.24 32.12 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 -1.94 -1.30 132.00 127.80 1tbc h PRO 18 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1tbc h PRO 18 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 1tbc h PRO 18 CO 0.00 0.21 -0.58 0.36 -0.23 0.00 0.00 178.00 177.76 1tbc n LYS 19 N -3.71 0.84 0.00 0.86 2.85 -1.26 -4.68 118.16 113.06 1tbc n LYS 19 Ca -0.01 -2.47 0.00 0.00 -1.05 0.00 0.00 58.31 54.77 1tbc n LYS 19 Cb 0.32 -0.95 0.00 0.00 -0.65 0.00 0.00 35.03 33.75 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 -0.53 0.00 -0.88 0.58 -1.04 -1.18 -4.81 114.28 106.43 1tbc n THR 20 Ca 0.12 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.78 1tbc n THR 20 Cb 0.82 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.28 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 -0.54 3.11 -1.32 2.41 0.00 -0.50 -4.23 120.51 119.44 1tbc n ALA 21 Ca 0.00 -2.67 -0.13 0.00 0.00 0.00 0.00 53.44 50.64 1tbc n ALA 21 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 19.45 15.98 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 -0.73 0.00 0.01 0.00 2.04 -1.26 -5.07 115.26 110.25 1tbc n ASN 23 Ca -0.13 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.01 1tbc n ASN 23 Cb 0.51 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.76 1tbc n ASN 23 CO 0.00 0.00 0.00 -2.11 -0.44 0.00 0.00 177.26 174.71 1tbc n ARG 24 N 0.00 0.00 -1.29 -3.83 1.85 -1.26 -4.94 116.66 107.18 1tbc n ARG 24 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1tbc n ARG 24 Cb 0.00 -0.36 0.00 0.00 -1.05 0.00 0.00 32.46 31.05 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 -2.66 -2.96 0.21 0.00 -0.00 -1.26 -4.89 115.22 103.66 1tbc n HIS 26 Ca 0.00 0.44 0.18 0.00 -0.00 0.00 0.00 57.72 58.34 1tbc n HIS 26 Cb 0.31 1.43 0.84 0.00 -0.00 0.00 0.00 29.99 32.57 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 0.35 0.00 0.00 3.64 -1.96 -3.33 116.57 115.28 1tbc h LYS 28 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1tbc h LYS 28 Cb 0.59 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1tbc h LYS 28 CO -0.00 0.23 -0.05 0.36 -2.27 0.00 0.00 179.45 177.72 1tbc n LYS 29 N -4.49 0.00 -3.06 1.90 0.00 -0.25 -5.08 118.16 107.18 1tbc n LYS 29 Ca 0.18 -0.11 -0.43 0.00 -0.00 0.00 0.00 58.31 57.95 1tbc n LYS 29 Cb 0.70 -0.06 -0.06 0.00 -0.00 0.00 0.00 35.03 35.60 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 2.99 -1.11 0.00 4.02 -1.26 -4.86 117.16 116.93 1tbc n TYR 32 Ca 0.00 -2.55 -0.04 0.00 -0.01 0.00 0.00 57.90 55.30 1tbc n TYR 32 Cb 0.00 -0.29 -0.02 0.00 -0.02 0.00 0.00 39.34 39.01 1tbc n TYR 32 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1tbc n HIS 33 N -0.64 0.00 -2.71 -0.72 8.25 -1.26 -4.40 115.22 113.74 1tbc n HIS 33 Ca 0.43 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.85 1tbc n HIS 33 Cb 0.85 -1.44 -0.04 0.00 1.12 0.00 0.00 29.99 30.48 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 1.81 0.47 -3.78 0.00 1.13 -1.26 -5.03 117.38 110.72 1tbc n GLN 35 Ca -0.32 -0.99 -0.30 0.00 -1.94 0.00 0.00 57.00 53.45 1tbc n GLN 35 Cb 0.50 -1.07 0.02 0.00 0.11 0.00 0.00 30.24 29.79 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 0.10 -4.40 -3.91 5.09 0.31 -1.26 -2.66 118.33 111.60 1tbc n VAL 36 Ca 0.03 -0.40 -0.35 0.00 -0.01 0.00 0.00 64.34 63.60 1tbc n VAL 36 Cb 0.15 -3.46 0.01 0.00 -0.91 0.00 0.00 33.84 29.63 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 -3.80 0.00 0.00 0.00 -1.74 -1.09 -2.46 117.46 108.38 1tbc n PHE 38 Ca -0.21 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.68 1tbc n PHE 38 Cb 0.63 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.63 1tbc n PHE 38 CO 0.00 0.00 0.00 -0.89 -0.56 0.00 0.00 176.76 175.31 1tbc n ILE 39 N 0.00 0.00 -3.12 1.97 2.08 -1.22 -1.96 119.36 117.11 1tbc n ILE 39 Ca 0.00 1.50 -0.24 0.00 0.56 0.00 0.00 62.75 64.56 1tbc n ILE 39 Cb 0.00 -2.36 -0.00 0.00 -0.75 0.00 0.00 39.64 36.52 1tbc n ILE 39 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1tbc s THR 40 N -2.98 4.82 0.15 1.39 -1.32 -1.26 -3.24 115.64 113.19 1tbc s THR 40 Ca 0.00 -0.31 0.16 0.00 -1.21 0.00 0.00 61.69 60.32 1tbc s THR 40 Cb 0.00 -3.78 0.07 0.00 -1.51 0.00 0.00 72.50 67.28 1tbc s THR 40 CO 0.00 -0.58 1.65 0.07 -2.21 0.00 0.00 174.62 173.55 1tbc h LYS 41 N 0.55 0.00 0.00 7.08 2.10 -1.98 -2.94 116.57 121.37 1tbc h LYS 41 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1tbc h LYS 41 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1tbc h LYS 41 CO 0.61 0.48 0.00 0.41 -2.00 0.00 0.00 179.45 178.94 1tbc n GLY 42 N 0.42 -1.13 2.92 0.07 0.00 -1.26 -4.90 105.19 101.32 1tbc n GLY 42 Ca -0.00 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.88 -3.91 -0.42 0.99 4.77 -1.11 -3.37 117.00 112.08 1tbc n LEU 43 Ca 0.03 -0.51 -0.04 0.00 -0.03 0.00 0.00 56.01 55.45 1tbc n LEU 43 Cb 0.19 -2.61 -0.01 0.00 -2.33 0.00 0.00 43.42 38.67 1tbc n LEU 43 CO 0.16 0.25 -0.05 0.61 -1.33 0.00 0.00 177.39 177.04 1tbc n GLY 44 N -1.14 0.42 0.36 -0.72 0.00 -1.26 -4.45 105.19 98.40 1tbc n GLY 44 Ca -0.19 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 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 0.33 0.00 -0.61 -0.00 -1.81 -3.44 117.51 111.98 1tbc h ILE 45 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.75 1tbc h ILE 45 Cb 0.73 0.33 -0.01 0.00 -0.00 0.00 0.00 36.82 37.86 1tbc h ILE 45 CO 0.12 0.00 -0.02 -1.54 -0.00 0.00 0.00 178.15 176.71 1tbc n SER 46 N -5.46 -0.07 0.01 2.16 3.41 -1.26 -4.97 113.62 107.44 1tbc n SER 46 Ca -0.12 -0.46 0.13 0.00 -0.26 0.00 0.00 58.87 58.17 1tbc n SER 46 Cb 0.36 0.02 0.52 0.00 -0.26 0.00 0.00 64.21 64.84 1tbc n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tbc n TYR 47 N 0.00 0.12 0.00 7.33 4.11 -1.26 -4.90 117.16 122.56 1tbc n TYR 47 Ca -0.02 0.04 0.00 0.00 -0.00 0.00 0.00 57.90 57.92 1tbc n TYR 47 Cb 0.24 -0.51 0.00 0.00 -0.00 0.00 0.00 39.34 39.07 1tbc n TYR 47 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1tbc n GLY 48 N 1.47 0.69 3.84 -7.48 0.00 -1.26 -5.11 105.19 97.34 1tbc n GLY 48 Ca 0.06 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 1tbc n GLY 48 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1tbc s ARG 49 N -1.18 2.83 -0.01 1.61 1.70 -1.26 -5.00 118.95 117.65 1tbc s ARG 49 Ca 0.00 0.74 0.01 0.00 -0.47 0.00 0.00 55.73 56.00 1tbc s ARG 49 Cb 0.00 -2.00 0.01 0.00 -0.57 0.00 0.00 34.95 32.40 1tbc s ARG 49 CO 0.00 -1.12 0.90 0.36 -1.08 0.00 0.00 175.30 174.36 1tbc n LYS 50 N -3.11 0.09 -3.42 3.89 0.00 -1.26 -5.01 118.16 109.35 1tbc n LYS 50 Ca 0.07 -0.97 -0.17 0.00 -0.00 0.00 0.00 58.31 57.24 1tbc n LYS 50 Cb 0.55 -0.55 0.09 0.00 -0.00 0.00 0.00 35.03 35.12 1tbc n LYS 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1tbc n LYS 51 N -0.07 -6.62 -1.08 -1.58 5.02 -1.26 -1.83 118.16 110.74 1tbc n LYS 51 Ca 0.01 0.84 -0.01 0.00 -2.02 0.00 0.00 58.31 57.12 1tbc n LYS 51 Cb 0.65 -5.83 -0.01 0.00 -0.02 0.00 0.00 35.03 29.82 1tbc n LYS 51 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1tbc n ARG 52 N -4.14 -1.08 -3.35 1.97 0.00 -1.26 -1.83 116.66 106.98 1tbc n ARG 52 Ca -0.27 0.08 -0.22 0.00 -0.00 0.00 0.00 57.85 57.45 1tbc n ARG 52 Cb 0.66 -4.12 -0.04 0.00 -0.00 0.00 0.00 32.46 28.96 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 -1.13 -1.58 -3.91 2.89 0.63 -0.76 -0.07 116.66 112.74 1tbc n ARG 53 Ca -0.01 0.07 -0.40 0.00 -0.92 0.00 0.00 57.85 56.58 1tbc n ARG 53 Cb 0.06 -4.02 0.03 0.00 0.45 0.00 0.00 32.46 28.98 1tbc n ARG 53 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1tbc n GLN 54 N -3.00 -0.66 0.00 -0.14 1.13 -0.76 -4.79 117.38 109.16 1tbc n GLN 54 Ca 0.06 0.24 0.03 0.00 -1.94 0.00 0.00 57.00 55.40 1tbc n GLN 54 Cb 0.41 -3.20 0.16 0.00 0.11 0.00 0.00 30.24 27.72 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 -4.67 0.06 -2.02 -1.09 5.12 0.91 -2.44 116.66 112.52 1tbc n ARG 55 Ca -0.10 0.28 -0.00 0.00 -1.93 0.00 0.00 57.85 56.09 1tbc n ARG 55 Cb 0.57 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 30.43 1tbc n ARG 55 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 1tbc n ARG 56 N -1.36 1.25 -0.24 5.56 0.00 -1.26 -4.90 116.66 115.70 1tbc n ARG 56 Ca 0.03 -2.98 -0.05 0.00 -0.00 0.00 0.00 57.85 54.85 1tbc n ARG 56 Cb 0.06 -1.06 0.06 0.00 -0.00 0.00 0.00 32.46 31.52 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 1.79 0.89 0.00 2.89 9.65 -1.84 -2.25 114.38 125.52 1tbc h ARG 57 Ca -0.11 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 1tbc h ARG 57 Cb 1.51 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 1tbc h ARG 57 CO 0.19 0.59 0.00 -1.00 2.80 0.00 0.00 179.97 182.55 1tbc h PRO 58 N 0.92 0.00 -5.46 0.20 0.13 -1.90 -3.42 132.00 122.46 1tbc h PRO 58 Ca 0.25 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.76 1tbc h PRO 58 Cb -0.09 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 30.91 1tbc h PRO 58 CO -0.06 0.00 0.12 -1.12 -0.23 0.00 0.00 178.00 176.71 1tbc s SER 59 N -5.05 6.45 0.00 1.44 0.01 -0.85 -4.84 113.70 110.86 1tbc s SER 59 Ca 0.05 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1tbc s SER 59 Cb 0.09 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 64.00 1tbc s SER 59 CO 0.51 -0.52 0.76 0.00 0.41 0.00 0.00 173.24 174.41 1tbc n GLN 60 N 5.92 0.00 -2.19 12.44 6.02 -1.26 -4.87 117.38 133.44 1tbc n GLN 60 Ca -0.02 -0.54 -0.31 0.00 -0.01 0.00 0.00 57.00 56.13 1tbc n GLN 60 Cb 0.49 -0.27 -0.04 0.00 1.02 0.00 0.00 30.24 31.43 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 -0.53 0.48 -1.45 1.08 0.00 -1.26 -3.22 107.32 102.41 1tbc s GLY 61 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.97 1tbc s GLY 61 CO 0.00 3.27 0.00 0.61 0.00 0.00 0.00 173.10 176.98 1tbc n GLY 62 N 6.81 -0.14 0.19 0.20 0.00 -1.26 -4.83 105.19 106.15 1tbc n GLY 62 Ca 0.39 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 -6.65 1.61 1.08 -1.84 -3.41 115.11 105.91 1tbc h GLN 63 Ca -0.39 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.28 1tbc h GLN 63 Cb 1.27 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.61 1tbc h GLN 63 CO 0.47 0.32 -0.91 2.41 -0.95 0.00 0.00 178.83 180.16 1tbc n THR 64 N -3.28 -2.59 -0.94 -0.54 -1.04 -1.26 -2.64 114.28 101.99 1tbc n THR 64 Ca 0.01 -0.51 -0.21 0.00 -2.04 0.00 0.00 64.05 61.31 1tbc n THR 64 Cb 0.57 -2.26 0.17 0.00 -1.82 0.00 0.00 70.33 67.00 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 -4.45 -3.65 0.05 -1.42 8.25 -1.26 -4.29 115.22 108.45 1tbc n HIS 65 Ca -0.31 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.45 1tbc n HIS 65 Cb 0.69 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 31.02 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 -3.74 0.00 0.12 -0.41 3.00 -1.26 -4.72 117.38 110.37 1tbc n GLN 66 Ca 0.11 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.86 1tbc n GLN 66 Cb 0.41 -0.30 -0.16 0.00 0.00 0.00 0.00 30.24 30.19 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 0.76 -0.04 1.08 3.58 -1.96 -2.95 116.42 116.89 1tbc h ASP 67 Ca 0.00 -0.93 -0.21 0.00 0.42 0.00 0.00 57.03 56.31 1tbc h ASP 67 Cb 0.26 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.07 1tbc h ASP 67 CO 0.00 1.66 -0.77 1.55 -2.88 0.00 0.00 179.24 178.80 1tbc h PRO 68 N 0.04 0.70 -1.01 0.28 0.13 -1.98 -3.37 132.00 126.78 1tbc h PRO 68 Ca -0.24 -0.57 -0.48 0.00 -0.87 0.00 0.00 66.00 63.84 1tbc h PRO 68 Cb 2.06 0.12 -0.42 0.00 0.13 0.00 0.00 31.00 32.90 1tbc h PRO 68 CO 0.25 1.18 -0.91 0.44 -0.23 0.00 0.00 178.00 178.73 1tbc n ILE 69 N -3.91 1.99 0.33 -3.56 -0.00 -1.26 -4.82 119.36 108.14 1tbc n ILE 69 Ca -0.07 -4.05 0.06 0.00 -0.00 0.00 0.00 62.75 58.70 1tbc n ILE 69 Cb 0.74 -0.46 0.29 0.00 -0.00 0.00 0.00 39.64 40.21 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 -0.50 0.05 0.04 6.28 -0.04 -1.12 -2.61 135.00 137.11 1tbc n PRO 70 Ca 0.30 0.37 -0.15 0.00 -0.04 0.00 0.00 63.50 63.99 1tbc n PRO 70 Cb 0.81 -1.60 -0.05 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.56 -2.94 0.54 2.10 -1.88 -3.48 116.57 111.47 1tbc h LYS 71 Ca 0.00 -0.53 0.07 0.00 -2.00 0.00 0.00 60.65 58.19 1tbc h LYS 71 Cb 0.19 0.13 -0.06 0.00 -0.90 0.00 0.00 32.23 31.59 1tbc h LYS 71 CO 0.00 1.16 0.25 1.14 -2.00 0.00 0.00 179.45 180.00 1tbc s GLN 72 N -3.47 1.69 0.05 0.07 1.03 -1.07 -5.05 119.66 112.91 1tbc s GLN 72 Ca -0.08 -0.92 -0.25 0.00 0.04 0.00 0.00 55.36 54.16 1tbc s GLN 72 Cb 0.09 0.59 -0.17 0.00 0.03 0.00 0.00 33.01 33.55 1tbc s GLN 72 CO 0.88 -0.77 1.52 -1.00 -2.54 0.00 0.00 175.29 173.38 1tbc h PRO 73 N 2.00 -0.16 -4.26 9.60 0.13 -1.93 -3.46 132.00 133.92 1tbc h PRO 73 Ca -0.21 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1tbc h PRO 73 Cb 1.25 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1tbc h PRO 73 CO 0.24 0.05 -0.89 -1.13 -0.23 0.00 0.00 178.00 176.04 1tbc n SER 74 N -5.08 -8.67 0.00 1.44 3.41 -1.26 -4.38 113.62 99.09 1tbc n SER 74 Ca -0.08 1.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.98 1tbc n SER 74 Cb 0.16 -4.81 0.00 0.00 -0.26 0.00 0.00 64.21 59.29 1tbc n SER 74 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1tbc n SER 75 N 1.73 0.00 0.01 4.04 2.88 -1.26 -4.44 113.62 116.58 1tbc n SER 75 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 1tbc n SER 75 Cb 0.00 -0.09 -0.14 0.00 -0.75 0.00 0.00 64.21 63.23 1tbc n SER 75 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1tbc h GLN 76 N 0.84 0.21 0.00 -1.46 7.50 -1.76 0.35 115.11 120.79 1tbc h GLN 76 Ca 0.00 -0.37 0.00 0.00 0.50 0.00 0.00 58.65 58.78 1tbc h GLN 76 Cb 0.00 0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.67 1tbc h GLN 76 CO 0.00 1.18 0.00 -1.00 -1.50 0.00 0.00 178.83 177.51 1tbc h PRO 77 N -0.50 0.00 -0.25 1.46 0.13 -1.69 -3.34 132.00 127.80 1tbc h PRO 77 Ca -0.17 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.75 1tbc h PRO 77 Cb 1.54 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.32 1tbc h PRO 77 CO 0.08 0.00 -0.93 2.89 -0.23 0.00 0.00 178.00 179.81 1tbc n ARG 78 N -2.55 1.21 0.00 0.86 1.85 -1.25 -4.79 116.66 111.99 1tbc n ARG 78 Ca 0.03 -2.71 0.00 0.00 -1.00 0.00 0.00 57.85 54.18 1tbc n ARG 78 Cb 0.36 -0.84 0.00 0.00 -1.05 0.00 0.00 32.46 30.93 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 -0.47 0.21 3.67 2.89 0.00 0.23 -4.84 105.19 106.88 1tbc n GLY 79 Ca 0.01 0.44 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 1tbc n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tbc s ASP 80 N 2.00 7.06 -1.08 1.61 2.15 0.98 -4.93 116.67 124.47 1tbc s ASP 80 Ca 0.00 1.64 -0.23 0.00 0.43 0.00 0.00 52.55 54.40 1tbc s ASP 80 Cb 0.00 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 40.04 1tbc s ASP 80 CO 0.00 -0.63 1.85 -2.16 -0.17 0.00 0.00 175.17 174.06 1tbc s PRO 81 N 2.76 2.84 -0.00 4.34 0.04 -1.26 -4.34 135.00 139.38 1tbc s PRO 81 Ca 0.52 -0.95 -0.24 0.00 0.04 0.00 0.00 61.00 60.38 1tbc s PRO 81 Cb -0.21 -5.23 -0.13 0.00 0.04 0.00 0.00 34.50 28.97 1tbc s PRO 81 CO 0.16 -3.33 1.00 1.79 0.04 0.00 0.00 177.00 176.66 1tbc h THR 82 N 6.57 0.08 0.00 1.26 1.35 -1.80 -3.49 112.91 116.88 1tbc h THR 82 Ca 0.20 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1tbc h THR 82 Cb 0.96 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1tbc h THR 82 CO 1.27 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 177.17 1tbc n GLY 83 N -0.34 -1.38 1.29 5.82 0.00 -0.87 -4.64 105.19 105.06 1tbc n GLY 83 Ca -0.10 0.67 0.12 0.00 0.00 0.00 0.00 46.02 46.71 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 2.64 -0.16 1.61 -0.04 -1.26 -4.31 135.00 133.48 1tbc n PRO 84 Ca 0.00 -2.53 0.07 0.00 -0.04 0.00 0.00 63.50 61.00 1tbc n PRO 84 Cb 0.00 -1.55 0.20 0.00 -0.04 0.00 0.00 33.50 32.11 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 1.60 1.80 0.00 0.54 4.76 -1.26 -5.09 118.16 120.51 1tbc n LYS 85 Ca 0.23 -1.24 0.13 0.00 -2.87 0.00 0.00 58.31 54.56 1tbc n LYS 85 Cb 0.61 -1.30 0.77 0.00 -1.84 0.00 0.00 35.03 33.28 1tbc n LYS 85 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42