#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cyo n LYS 2 N 0.00 2.74 -1.86 1.43 5.02 -1.26 -5.04 118.16 119.19 1cyo n LYS 2 Ca 0.00 -0.03 -0.39 0.00 -2.02 0.00 0.00 58.31 55.87 1cyo n LYS 2 Cb 0.00 -1.01 0.02 0.00 -0.02 0.00 0.00 35.03 34.02 1cyo n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1cyo s ALA 3 N -2.10 3.09 0.48 7.82 0.00 -1.26 -4.96 121.76 124.83 1cyo s ALA 3 Ca 0.01 1.35 -0.23 0.00 0.00 0.00 0.00 51.96 53.09 1cyo s ALA 3 Cb 0.06 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 1cyo s ALA 3 CO 0.35 -1.17 1.30 0.08 0.00 0.00 0.00 175.76 176.33 1cyo s VAL 4 N -1.27 2.48 -0.19 0.00 1.01 -1.26 -5.03 120.40 116.15 1cyo s VAL 4 Ca 0.64 0.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 1cyo s VAL 4 Cb -0.41 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1cyo s VAL 4 CO 0.51 0.02 -0.13 -0.54 0.00 0.00 0.00 175.10 174.96 1cyo s LYS 5 N -2.63 3.19 -0.12 2.72 1.02 -1.26 -5.06 119.74 117.60 1cyo s LYS 5 Ca 0.65 -0.74 -0.05 0.00 0.02 0.00 0.00 55.97 55.85 1cyo s LYS 5 Cb -0.37 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 1cyo s LYS 5 CO 0.45 -0.14 0.06 0.71 -0.92 0.00 0.00 175.35 175.52 1cyo s TYR 6 N 1.21 3.33 -0.00 3.18 2.02 -1.26 -0.50 117.35 125.32 1cyo s TYR 6 Ca 0.02 0.27 0.08 0.00 -0.37 0.00 0.00 57.07 57.07 1cyo s TYR 6 Cb -0.14 -1.91 -0.02 0.00 -0.40 0.00 0.00 41.96 39.49 1cyo s TYR 6 CO -0.06 0.48 -0.24 0.71 -1.57 0.00 0.00 175.55 174.87 1cyo s TYR 7 N -0.64 2.38 0.47 2.71 1.51 -0.42 -4.87 117.35 118.49 1cyo s TYR 7 Ca 0.11 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.66 1cyo s TYR 7 Cb -0.12 -1.48 -0.07 0.00 -0.11 0.00 0.00 41.96 40.19 1cyo s TYR 7 CO 0.02 0.05 0.88 0.95 -1.11 0.00 0.00 175.55 176.35 1cyo s THR 8 N -0.70 4.68 0.32 -0.71 -4.23 -1.26 -0.59 115.64 113.16 1cyo s THR 8 Ca 0.11 0.86 0.02 0.00 -1.18 0.00 0.00 61.69 61.50 1cyo s THR 8 Cb -0.10 -3.75 0.28 0.00 1.34 0.00 0.00 72.50 70.27 1cyo s THR 8 CO 0.00 -0.67 1.93 0.25 -0.54 0.00 0.00 174.62 175.60 1cyo h LEU 9 N 0.91 0.83 -0.73 4.79 5.85 -1.95 -0.99 115.31 124.03 1cyo h LEU 9 Ca -0.47 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.35 1cyo h LEU 9 Cb 1.19 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.97 1cyo h LEU 9 CO 0.63 0.54 0.36 -0.08 -0.34 0.00 0.00 178.44 179.55 1cyo h GLU 10 N 0.95 0.59 -0.15 1.25 4.81 -1.98 -0.58 114.58 119.47 1cyo h GLU 10 Ca 0.36 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.42 1cyo h GLU 10 Cb 0.18 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1cyo h GLU 10 CO -0.12 0.39 -0.43 1.49 -0.73 0.00 0.00 179.01 179.61 1cyo h GLU 11 N 0.60 0.56 -0.69 1.92 4.57 -1.73 -3.26 114.58 116.56 1cyo h GLU 11 Ca 0.36 -0.40 0.07 0.00 -1.18 0.00 0.00 59.36 58.21 1cyo h GLU 11 Cb 0.40 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.01 1cyo h GLU 11 CO -0.28 1.02 0.45 0.82 -1.18 0.00 0.00 179.01 179.84 1cyo h ILE 12 N 0.20 1.01 0.00 2.32 2.04 -0.40 -2.02 117.51 120.66 1cyo h ILE 12 Ca -0.01 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1cyo h ILE 12 Cb 1.04 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1cyo h ILE 12 CO 0.09 0.13 0.00 1.56 0.00 0.00 0.00 178.15 179.93 1cyo h GLN 13 N 0.69 0.00 0.00 2.37 4.20 -1.18 -1.82 115.11 119.37 1cyo h GLN 13 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1cyo h GLN 13 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1cyo h GLN 13 CO -0.10 0.00 -0.12 1.63 -0.67 0.00 0.00 178.83 179.57 1cyo n LYS 14 N -2.93 0.22 -3.35 1.46 5.02 -0.76 -4.47 118.16 113.36 1cyo n LYS 14 Ca -0.02 0.16 -0.45 0.00 -2.02 0.00 0.00 58.31 55.98 1cyo n LYS 14 Cb 0.14 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 33.41 1cyo n LYS 14 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1cyo s HIS 15 N -3.09 4.17 -0.00 2.13 3.76 -0.68 -4.78 115.29 116.79 1cyo s HIS 15 Ca 0.10 -2.57 0.00 0.00 -0.15 0.00 0.00 55.06 52.44 1cyo s HIS 15 Cb 0.14 -3.82 0.00 0.00 1.11 0.00 0.00 32.58 30.01 1cyo s HIS 15 CO 0.61 -0.95 0.85 0.27 -0.85 0.00 0.00 174.74 174.67 1cyo n ASN 16 N 2.93 1.40 -3.65 1.40 2.04 -1.03 -2.25 115.26 116.10 1cyo n ASN 16 Ca 0.22 -1.71 -0.15 0.00 -0.44 0.00 0.00 54.58 52.50 1cyo n ASN 16 Cb 0.41 -0.01 -0.07 0.00 -2.53 0.00 0.00 39.78 37.58 1cyo n ASN 16 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1cyo s ASN 17 N -0.72 0.80 0.42 0.53 2.20 -1.17 -4.92 114.94 112.08 1cyo s ASN 17 Ca 0.00 -1.47 0.29 0.00 -0.94 0.00 0.00 52.86 50.74 1cyo s ASN 17 Cb 0.00 0.54 1.49 0.00 -2.00 0.00 0.00 41.25 41.28 1cyo s ASN 17 CO 0.00 -1.07 1.87 0.77 -2.94 0.00 0.00 177.10 175.73 1cyo h SER 18 N 2.29 0.00 1.18 3.54 4.64 -1.98 0.38 113.55 123.59 1cyo h SER 18 Ca -0.29 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.91 1cyo h SER 18 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 1cyo h SER 18 CO 0.42 0.00 -0.58 0.11 -0.87 0.00 0.00 176.83 175.91 1cyo h LYS 19 N 0.00 0.00 -0.92 4.77 1.57 -1.96 -3.43 116.57 116.59 1cyo h LYS 19 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1cyo h LYS 19 Cb 0.08 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.21 1cyo h LYS 19 CO 0.00 0.58 -0.42 0.45 -0.57 0.00 0.00 179.45 179.49 1cyo s SER 20 N -6.53 -1.41 -0.40 0.86 0.15 0.13 -4.99 113.70 101.51 1cyo s SER 20 Ca 0.02 -0.86 -0.09 0.00 0.70 0.00 0.00 55.95 55.72 1cyo s SER 20 Cb 0.09 1.81 0.06 0.00 -1.71 0.00 0.00 66.02 66.27 1cyo s SER 20 CO 0.75 -0.14 0.23 -0.89 1.20 0.00 0.00 173.24 174.38 1cyo s THR 21 N 1.71 4.26 0.11 6.45 2.01 -0.96 -2.46 115.64 126.77 1cyo s THR 21 Ca 0.18 -1.23 0.04 0.00 0.31 0.00 0.00 61.69 60.99 1cyo s THR 21 Cb -0.03 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1cyo s THR 21 CO -0.07 -0.40 0.05 0.26 -0.69 0.00 0.00 174.62 173.77 1cyo s TRP 22 N 1.46 3.08 0.23 4.92 0.52 -0.95 -0.44 118.94 127.75 1cyo s TRP 22 Ca 0.02 0.01 -0.11 0.00 0.02 0.00 0.00 56.10 56.04 1cyo s TRP 22 Cb -0.22 -1.55 -0.01 0.00 -1.15 0.00 0.00 33.47 30.54 1cyo s TRP 22 CO 0.03 0.51 0.40 -0.48 0.02 0.00 0.00 176.95 177.43 1cyo s LEU 23 N -2.53 0.53 -0.13 2.99 0.05 -0.72 -0.31 118.68 118.56 1cyo s LEU 23 Ca 0.28 -0.97 -0.03 0.00 0.05 0.00 0.00 54.13 53.46 1cyo s LEU 23 Cb -0.11 1.48 -0.03 0.00 -2.05 0.00 0.00 46.19 45.48 1cyo s LEU 23 CO 0.21 -1.05 -0.03 -0.63 -0.55 0.00 0.00 176.35 174.30 1cyo s ILE 24 N -4.03 4.04 -0.10 1.48 1.01 -0.41 -1.05 121.20 122.14 1cyo s ILE 24 Ca 0.24 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 1cyo s ILE 24 Cb 0.01 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.77 1cyo s ILE 24 CO 0.08 0.53 -0.07 -0.76 0.00 0.00 0.00 174.94 174.72 1cyo s LEU 25 N -0.12 1.17 -1.45 2.97 1.43 0.19 -1.19 118.68 121.68 1cyo s LEU 25 Ca 0.03 -0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1cyo s LEU 25 Cb -0.13 -0.75 0.04 0.00 0.03 0.00 0.00 46.19 45.38 1cyo s LEU 25 CO 0.02 -0.10 0.62 1.41 0.23 0.00 0.00 176.35 178.52 1cyo n HIS 26 N 4.75 -1.81 -0.86 0.29 8.25 -1.26 -0.94 115.22 123.64 1cyo n HIS 26 Ca -0.14 0.80 0.00 0.00 -0.26 0.00 0.00 57.72 58.12 1cyo n HIS 26 Cb 0.50 -3.78 0.00 0.00 1.12 0.00 0.00 29.99 27.83 1cyo n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1cyo n TYR 27 N -4.42 0.00 -4.05 4.41 4.01 -1.26 -4.99 117.16 110.86 1cyo n TYR 27 Ca -0.20 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.20 1cyo n TYR 27 Cb 0.63 -0.62 -0.07 0.00 -0.31 0.00 0.00 39.34 38.98 1cyo n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1cyo s LYS 28 N -0.48 3.21 -0.18 -0.72 1.02 -0.11 -0.52 119.74 121.96 1cyo s LYS 28 Ca 0.00 -0.35 -0.08 0.00 0.02 0.00 0.00 55.97 55.56 1cyo s LYS 28 Cb 0.00 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 1cyo s LYS 28 CO 0.00 0.69 0.07 0.08 -0.92 0.00 0.00 175.35 175.27 1cyo s VAL 29 N -1.13 4.87 -0.04 3.17 1.01 -0.25 -0.64 120.40 127.39 1cyo s VAL 29 Ca 0.20 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.23 1cyo s VAL 29 Cb -0.12 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 1cyo s VAL 29 CO 0.10 0.47 -0.22 -0.31 0.00 0.00 0.00 175.10 175.15 1cyo s TYR 30 N 0.28 2.09 -0.51 5.22 1.51 -0.22 -0.79 117.35 124.92 1cyo s TYR 30 Ca 0.04 -0.56 -0.15 0.00 -1.01 0.00 0.00 57.07 55.39 1cyo s TYR 30 Cb -0.12 -1.38 0.11 0.00 -0.11 0.00 0.00 41.96 40.46 1cyo s TYR 30 CO 0.00 -0.16 0.46 0.34 -1.11 0.00 0.00 175.55 175.08 1cyo s ASP 31 N -0.18 6.14 -0.11 2.29 -1.08 -0.13 -1.75 116.67 121.84 1cyo s ASP 31 Ca -0.01 -1.65 0.15 0.00 -0.52 0.00 0.00 52.55 50.51 1cyo s ASP 31 Cb -0.12 -2.19 0.63 0.00 -1.46 0.00 0.00 42.92 39.78 1cyo s ASP 31 CO 0.02 -0.78 1.50 0.18 0.52 0.00 0.00 175.17 176.61 1cyo n LEU 32 N 5.21 4.25 -0.30 -1.34 4.77 0.42 -4.57 117.00 125.45 1cyo n LEU 32 Ca -0.13 -2.15 0.06 0.00 -0.03 0.00 0.00 56.01 53.76 1cyo n LEU 32 Cb 0.41 -0.55 0.22 0.00 -2.33 0.00 0.00 43.42 41.16 1cyo n LEU 32 CO 0.51 0.67 1.12 0.74 -1.33 0.00 0.00 177.39 179.11 1cyo h THR 33 N 3.44 0.78 -0.05 -5.08 2.02 -1.91 0.52 112.91 112.64 1cyo h THR 33 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1cyo h THR 33 Cb 1.35 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1cyo h THR 33 CO 0.24 0.13 0.00 0.29 0.37 0.00 0.00 175.52 176.54 1cyo n LYS 34 N -4.82 1.70 -0.01 6.66 5.02 -1.26 -3.62 118.16 121.83 1cyo n LYS 34 Ca 0.17 -1.03 0.10 0.00 -2.02 0.00 0.00 58.31 55.52 1cyo n LYS 34 Cb 0.40 -1.46 -0.15 0.00 -0.02 0.00 0.00 35.03 33.79 1cyo n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1cyo n PHE 35 N 0.25 0.00 -0.19 2.13 7.35 0.11 -4.65 117.46 122.46 1cyo n PHE 35 Ca 0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 1cyo n PHE 35 Cb 0.36 -0.42 0.10 0.00 0.35 0.00 0.00 39.48 39.87 1cyo n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1cyo h LEU 36 N 0.00 -0.12 -0.01 -2.13 3.38 -1.43 0.10 115.31 115.10 1cyo h LEU 36 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1cyo h LEU 36 Cb 0.88 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1cyo h LEU 36 CO 0.00 -0.04 0.00 -0.62 0.09 0.00 0.00 178.44 177.87 1cyo n GLU 37 N -5.19 0.03 0.00 1.13 1.02 -1.26 -3.42 120.64 112.95 1cyo n GLU 37 Ca 0.08 0.05 0.11 0.00 -0.02 0.00 0.00 57.16 57.38 1cyo n GLU 37 Cb 0.32 -1.54 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 1cyo n GLU 37 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1cyo n GLU 38 N -1.60 0.54 -1.84 3.49 -0.58 0.26 -5.00 120.64 115.92 1cyo n GLU 38 Ca 0.07 -0.14 -0.42 0.00 -0.42 0.00 0.00 57.16 56.25 1cyo n GLU 38 Cb 0.34 -1.54 -0.03 0.00 -0.57 0.00 0.00 31.44 29.64 1cyo n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1cyo s HIS 39 N -3.42 2.39 0.53 -0.32 2.46 -0.61 -4.88 115.29 111.44 1cyo s HIS 39 Ca -0.05 0.22 0.28 0.00 0.47 0.00 0.00 55.06 55.97 1cyo s HIS 39 Cb 0.14 -4.05 1.65 0.00 -0.13 0.00 0.00 32.58 30.18 1cyo s HIS 39 CO 0.89 -4.23 2.18 -1.35 -2.47 0.00 0.00 174.74 169.76 1cyo h PRO 40 N 8.23 0.00 -0.18 2.88 0.11 -1.93 -0.64 132.00 140.46 1cyo h PRO 40 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1cyo h PRO 40 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1cyo h PRO 40 CO 0.94 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 179.18 1cyo n GLY 41 N -1.13 0.12 0.00 -0.55 0.00 -1.26 -5.03 105.19 97.34 1cyo n GLY 41 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1cyo n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cyo n GLY 42 N 1.03 0.28 0.13 -0.02 0.00 -0.25 -4.64 105.19 101.72 1cyo n GLY 42 Ca 0.14 -1.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.12 1cyo n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1cyo h GLU 43 N 0.00 0.39 -0.44 1.61 4.81 -1.83 -3.39 114.58 115.73 1cyo h GLU 43 Ca 0.00 -0.66 -0.02 0.00 -0.13 0.00 0.00 59.36 58.55 1cyo h GLU 43 Cb 0.00 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1cyo h GLU 43 CO 0.00 1.31 0.19 0.93 -0.73 0.00 0.00 179.01 180.71 1cyo h GLU 44 N 0.11 0.66 -0.02 1.92 3.07 -1.92 -0.54 114.58 117.86 1cyo h GLU 44 Ca -0.21 -0.11 0.01 0.00 -0.50 0.00 0.00 59.36 58.55 1cyo h GLU 44 Cb 2.07 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 29.87 1cyo h GLU 44 CO 0.23 0.59 0.02 -0.39 -1.40 0.00 0.00 179.01 178.06 1cyo h VAL 45 N 0.57 0.92 0.06 3.13 -1.51 -1.82 -0.55 116.25 117.05 1cyo h VAL 45 Ca 0.15 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.51 1cyo h VAL 45 Cb 0.17 0.99 0.01 0.00 -2.13 0.00 0.00 31.29 30.33 1cyo h VAL 45 CO -0.01 0.00 -0.45 -0.07 -1.23 0.00 0.00 177.57 175.81 1cyo h LEU 46 N 0.00 0.30 -1.31 4.19 3.38 -1.42 -3.28 115.31 117.17 1cyo h LEU 46 Ca 0.01 -0.90 0.08 0.00 0.09 0.00 0.00 57.88 57.16 1cyo h LEU 46 Cb 0.04 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1cyo h LEU 46 CO -0.00 1.17 0.52 0.03 0.09 0.00 0.00 178.44 180.26 1cyo h ARG 47 N -0.54 0.78 0.00 1.13 2.47 -0.74 -1.43 114.38 116.06 1cyo h ARG 47 Ca -0.07 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.57 1cyo h ARG 47 Cb 1.29 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1cyo h ARG 47 CO 0.09 0.52 -0.13 1.49 0.56 0.00 0.00 179.97 182.49 1cyo h GLU 48 N 0.81 0.00 -0.02 0.04 4.57 -1.18 -2.80 114.58 116.00 1cyo h GLU 48 Ca 0.36 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1cyo h GLU 48 Cb 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1cyo h GLU 48 CO -0.13 0.13 -0.25 1.04 -1.18 0.00 0.00 179.01 178.62 1cyo n GLN 49 N -3.93 1.71 -1.82 1.92 1.13 -0.57 -5.00 117.38 110.82 1cyo n GLN 49 Ca -0.02 -1.40 -0.41 0.00 -1.94 0.00 0.00 57.00 53.23 1cyo n GLN 49 Cb 0.23 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.12 1cyo n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cyo s ALA 50 N -2.21 3.51 0.00 -1.58 0.00 -1.02 -2.30 121.76 118.16 1cyo s ALA 50 Ca 0.22 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.72 1cyo s ALA 50 Cb 0.18 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1cyo s ALA 50 CO 0.44 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.55 1cyo n GLY 51 N 0.50 0.66 1.00 0.00 0.00 0.58 -4.84 105.19 103.08 1cyo n GLY 51 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.00 1cyo n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cyo n GLY 52 N -2.66 2.22 3.71 -0.02 0.00 -0.97 -3.72 105.19 103.75 1cyo n GLY 52 Ca 0.00 -1.24 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 1cyo n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cyo s ASP 53 N -1.59 7.29 -0.11 1.61 2.15 -1.26 -1.29 116.67 123.47 1cyo s ASP 53 Ca 0.06 1.74 0.14 0.00 0.43 0.00 0.00 52.55 54.93 1cyo s ASP 53 Cb -0.01 -2.57 0.28 0.00 -0.30 0.00 0.00 42.92 40.32 1cyo s ASP 53 CO 0.04 -0.32 1.14 0.00 -0.17 0.00 0.00 175.17 175.87 1cyo n ALA 54 N 3.94 2.55 -0.01 3.66 0.00 -0.33 -4.88 120.51 125.44 1cyo n ALA 54 Ca 0.07 -2.47 -0.10 0.00 0.00 0.00 0.00 53.44 50.94 1cyo n ALA 54 Cb 0.50 -0.42 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 1cyo n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1cyo h THR 55 N 2.07 0.92 -0.50 0.00 2.02 -1.93 -0.74 112.91 114.76 1cyo h THR 55 Ca -0.02 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 1cyo h THR 55 Cb 1.15 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 1cyo h THR 55 CO 0.01 0.01 -0.01 -0.33 0.37 0.00 0.00 175.52 175.57 1cyo h GLU 56 N 0.06 0.83 -0.73 6.66 5.08 -1.95 -1.22 114.58 123.32 1cyo h GLU 56 Ca 0.06 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1cyo h GLU 56 Cb 0.06 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1cyo h GLU 56 CO -0.09 0.84 0.36 -0.91 -1.00 0.00 0.00 179.01 178.21 1cyo h ASN 57 N 0.77 0.94 -0.04 1.42 4.21 -1.85 0.14 115.58 121.18 1cyo h ASN 57 Ca 0.15 -0.13 -0.00 0.00 1.21 0.00 0.00 56.30 57.53 1cyo h ASN 57 Cb 0.48 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.44 1cyo h ASN 57 CO 0.02 0.80 0.01 0.15 -1.29 0.00 0.00 177.43 177.13 1cyo h PHE 58 N 1.02 0.06 -0.01 1.19 3.57 -0.76 -3.23 116.94 118.78 1cyo h PHE 58 Ca 0.25 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.62 1cyo h PHE 58 Cb 0.10 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1cyo h PHE 58 CO 0.01 0.22 -0.59 0.93 -2.23 0.00 0.00 178.31 176.64 1cyo h GLU 59 N -0.12 0.03 0.00 1.11 4.39 -0.94 -3.25 114.58 115.80 1cyo h GLU 59 Ca 0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1cyo h GLU 59 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1cyo h GLU 59 CO -0.00 0.62 0.00 -0.44 -1.16 0.00 0.00 179.01 178.03 1cyo h ASP 60 N 0.02 0.00 -0.36 1.42 3.32 -0.74 -3.02 116.42 117.07 1cyo h ASP 60 Ca -0.01 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.86 1cyo h ASP 60 Cb 1.06 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.50 1cyo h ASP 60 CO 0.08 0.00 -0.08 1.33 -1.72 0.00 0.00 179.24 178.85 1cyo n VAL 61 N -2.63 2.56 -3.74 -1.35 0.24 -1.23 -5.00 118.33 107.19 1cyo n VAL 61 Ca 0.02 -2.76 -0.23 0.00 -2.04 0.00 0.00 64.34 59.33 1cyo n VAL 61 Cb 0.31 -0.32 0.03 0.00 -1.47 0.00 0.00 33.84 32.40 1cyo n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1cyo n GLY 62 N -1.12 -0.34 3.75 7.63 0.00 -1.14 -4.90 105.19 109.06 1cyo n GLY 62 Ca 0.33 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 46.08 1cyo n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1cyo s HIS 63 N -3.58 2.77 0.94 1.61 3.76 -1.25 -4.97 115.29 114.56 1cyo s HIS 63 Ca 0.16 0.77 -0.13 0.00 -0.15 0.00 0.00 55.06 55.72 1cyo s HIS 63 Cb -0.08 -4.06 0.15 0.00 1.11 0.00 0.00 32.58 29.70 1cyo s HIS 63 CO 0.81 -3.58 1.14 -1.54 -0.85 0.00 0.00 174.74 170.71 1cyo s SER 64 N 0.51 3.26 0.31 1.40 1.04 -1.26 -4.87 113.70 114.09 1cyo s SER 64 Ca 0.63 0.95 0.02 0.00 0.48 0.00 0.00 55.95 58.04 1cyo s SER 64 Cb -0.48 -1.50 0.59 0.00 0.10 0.00 0.00 66.02 64.74 1cyo s SER 64 CO 0.47 -2.71 1.91 0.74 0.98 0.00 0.00 173.24 174.63 1cyo h THR 65 N -1.60 1.02 -0.72 2.02 2.02 -1.99 -1.67 112.91 111.99 1cyo h THR 65 Ca -0.51 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.35 1cyo h THR 65 Cb 1.33 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 1cyo h THR 65 CO 0.59 0.17 0.46 0.44 0.37 0.00 0.00 175.52 177.56 1cyo h ASP 66 N 0.95 0.83 -0.64 4.18 3.32 -1.99 -0.42 116.42 122.66 1cyo h ASP 66 Ca 0.39 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.43 1cyo h ASP 66 Cb 0.28 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1cyo h ASP 66 CO -0.16 0.62 0.41 0.00 -1.72 0.00 0.00 179.24 178.39 1cyo h ALA 67 N 1.25 0.82 -0.61 3.45 0.00 -1.76 -1.35 119.26 121.06 1cyo h ALA 67 Ca 0.26 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1cyo h ALA 67 Cb -0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1cyo h ALA 67 CO -0.05 0.18 0.23 0.00 0.00 0.00 0.00 179.25 179.61 1cyo h ARG 68 N 0.81 0.93 -0.45 0.00 3.08 -0.65 -1.83 114.38 116.27 1cyo h ARG 68 Ca 0.25 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1cyo h ARG 68 Cb -0.03 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1cyo h ARG 68 CO -0.08 0.79 0.06 0.93 -1.07 0.00 0.00 179.97 180.61 1cyo h GLU 69 N 0.86 0.75 -0.31 0.04 4.39 -0.92 -2.92 114.58 116.47 1cyo h GLU 69 Ca 0.20 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1cyo h GLU 69 Cb 0.22 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 1cyo h GLU 69 CO -0.01 0.78 0.07 1.25 -1.16 0.00 0.00 179.01 179.93 1cyo h LEU 70 N 0.61 0.40 -2.43 1.33 5.85 -1.07 -2.70 115.31 117.30 1cyo h LEU 70 Ca 0.13 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1cyo h LEU 70 Cb 0.40 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1cyo h LEU 70 CO 0.01 0.42 0.05 0.77 -0.34 0.00 0.00 178.44 179.35 1cyo h SER 71 N 0.44 0.00 0.10 1.25 4.64 -1.13 -2.06 113.55 116.79 1cyo h SER 71 Ca 0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1cyo h SER 71 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1cyo h SER 71 CO -0.00 0.00 -0.03 0.11 -0.87 0.00 0.00 176.83 176.03 1cyo h LYS 72 N 0.00 0.00 -0.02 4.77 1.57 -1.57 -1.19 116.57 120.13 1cyo h LYS 72 Ca 0.02 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1cyo h LYS 72 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1cyo h LYS 72 CO -0.00 0.03 0.02 1.15 -0.57 0.00 0.00 179.45 180.08 1cyo h THR 73 N 0.00 0.64 -0.01 -0.16 2.02 -1.56 -3.22 112.91 110.61 1cyo h THR 73 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1cyo h THR 73 Cb 0.09 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1cyo h THR 73 CO 0.00 0.00 -0.06 0.49 0.37 0.00 0.00 175.52 176.32 1cyo n PHE 74 N -4.01 0.00 -1.99 3.16 3.72 -0.46 -4.99 117.46 112.88 1cyo n PHE 74 Ca -0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 1cyo n PHE 74 Cb 0.11 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 1cyo n PHE 74 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1cyo s ILE 75 N -0.97 2.75 -0.08 4.37 -4.36 -1.17 -0.96 121.20 120.78 1cyo s ILE 75 Ca 0.10 0.56 0.02 0.00 -0.26 0.00 0.00 60.65 61.07 1cyo s ILE 75 Cb 0.08 -3.36 -0.02 0.00 1.25 0.00 0.00 42.46 40.41 1cyo s ILE 75 CO 0.16 0.06 0.08 2.30 0.24 0.00 0.00 174.94 177.78 1cyo n ILE 76 N 3.54 0.00 -2.16 8.37 -5.35 0.03 -4.88 119.36 118.91 1cyo n ILE 76 Ca 0.12 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1cyo n ILE 76 Cb 0.40 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.21 1cyo n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1cyo n GLY 77 N 1.25 -0.53 3.31 3.28 0.00 -1.20 -4.74 105.19 106.56 1cyo n GLY 77 Ca 0.00 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 1cyo n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cyo s GLU 78 N -1.55 1.21 0.19 1.61 2.02 0.34 -1.09 118.70 121.43 1cyo s GLU 78 Ca 0.00 -1.38 -0.31 0.00 0.02 0.00 0.00 54.97 53.30 1cyo s GLU 78 Cb 0.00 -1.18 -0.09 0.00 0.10 0.00 0.00 34.13 32.96 1cyo s GLU 78 CO 0.00 0.23 1.45 -1.17 0.02 0.00 0.00 175.26 175.79 1cyo s LEU 79 N -2.69 4.38 0.15 1.80 2.96 0.32 -1.31 118.68 124.29 1cyo s LEU 79 Ca 0.15 2.55 -0.34 0.00 -0.22 0.00 0.00 54.13 56.27 1cyo s LEU 79 Cb -0.05 -3.61 -0.15 0.00 0.50 0.00 0.00 46.19 42.88 1cyo s LEU 79 CO 0.06 -0.71 1.35 1.57 -1.32 0.00 0.00 176.35 177.29 1cyo n HIS 80 N 3.18 1.71 -0.21 5.38 -0.00 0.24 -4.79 115.22 120.73 1cyo n HIS 80 Ca 0.10 0.54 0.22 0.00 -0.00 0.00 0.00 57.72 58.58 1cyo n HIS 80 Cb 0.40 -2.38 0.60 0.00 -0.00 0.00 0.00 29.99 28.61 1cyo n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1cyo h PRO 81 N 4.44 0.23 0.00 1.57 0.13 -1.92 0.02 132.00 136.47 1cyo h PRO 81 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1cyo h PRO 81 Cb 1.31 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1cyo h PRO 81 CO 0.77 0.15 0.00 -0.25 -0.23 0.00 0.00 178.00 178.45 1cyo n ASP 82 N -4.42 0.65 -0.23 1.44 8.00 -1.26 -2.38 116.55 118.35 1cyo n ASP 82 Ca 0.19 0.64 0.10 0.00 0.71 0.00 0.00 54.79 56.43 1cyo n ASP 82 Cb 0.79 -0.79 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1cyo n ASP 82 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1cyo n ASP 83 N -2.20 1.43 0.20 -2.24 8.00 -0.01 -4.52 116.55 117.20 1cyo n ASP 83 Ca 0.03 -1.21 0.04 0.00 0.71 0.00 0.00 54.79 54.36 1cyo n ASP 83 Cb 0.26 0.74 0.42 0.00 -0.02 0.00 0.00 41.12 42.51 1cyo n ASP 83 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1cyo h ARG 84 N 1.14 0.00 0.00 -1.24 3.08 -1.43 -1.63 114.38 114.31 1cyo h ARG 84 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1cyo h ARG 84 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1cyo h ARG 84 CO 0.00 0.32 0.00 0.66 -1.07 0.00 0.00 179.97 179.88 1cyo h SER 85 N 0.00 0.00 1.09 7.04 4.64 -1.79 -2.31 113.55 122.22 1cyo h SER 85 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1cyo h SER 85 Cb 0.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1cyo h SER 85 CO 0.04 0.00 -0.08 0.11 -0.87 0.00 0.00 176.83 176.03 1cyo h LYS 86 N 0.00 0.00 -5.46 4.77 1.57 -1.59 -3.42 116.57 112.44 1cyo h LYS 86 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 1cyo h LYS 86 Cb 0.48 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.65 1cyo h LYS 86 CO 0.00 0.08 0.30 0.42 -0.57 0.00 0.00 179.45 179.68 1cyo s ILE 87 N -3.61 4.64 -0.50 1.86 -1.09 -0.87 -5.16 121.20 116.47 1cyo s ILE 87 Ca 0.02 -0.02 0.04 0.00 -2.23 0.00 0.00 60.65 58.46 1cyo s ILE 87 Cb 0.09 -4.39 0.03 0.00 -1.58 0.00 0.00 42.46 36.61 1cyo s ILE 87 CO 0.59 -0.91 0.63 0.35 -1.23 0.00 0.00 174.94 174.37