#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xcq n LYS 18 N 0.00 0.00 0.00 -0.52 5.02 -1.26 -5.15 118.16 116.25 1xcq n LYS 18 Ca 0.00 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 1xcq n LYS 18 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1xcq n LYS 18 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1xcq n GLU 19 N 0.60 0.00 0.00 1.97 4.71 -1.26 -5.08 120.64 121.58 1xcq n GLU 19 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1xcq n GLU 19 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1xcq n GLU 19 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1xcq n GLU 20 N 0.00 0.00 -2.28 3.49 1.02 -1.26 -4.95 120.64 116.66 1xcq n GLU 20 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1xcq n GLU 20 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.46 1xcq n GLU 20 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xcq s VAL 21 N 0.00 3.56 0.46 2.62 1.01 -1.23 -4.27 120.40 122.55 1xcq s VAL 21 Ca 0.00 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1xcq s VAL 21 Cb 0.00 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.97 1xcq s VAL 21 CO 0.00 -0.48 0.61 -0.89 0.00 0.00 0.00 175.10 174.34 1xcq s THR 22 N -3.08 2.76 -0.22 3.92 2.01 -1.26 -2.43 115.64 117.34 1xcq s THR 22 Ca 0.55 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1xcq s THR 22 Cb -0.11 -2.78 0.05 0.00 0.01 0.00 0.00 72.50 69.68 1xcq s THR 22 CO 0.47 0.00 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.69 1xcq s ILE 23 N -2.44 1.60 0.06 1.82 -1.09 0.56 -4.94 121.20 116.78 1xcq s ILE 23 Ca 0.56 -1.12 -0.30 0.00 -2.23 0.00 0.00 60.65 57.56 1xcq s ILE 23 Cb -0.09 -1.77 -0.05 0.00 -1.58 0.00 0.00 42.46 38.98 1xcq s ILE 23 CO 0.34 0.04 1.13 -0.54 -1.23 0.00 0.00 174.94 174.69 1xcq s LYS 24 N 1.39 4.48 0.06 2.79 1.02 0.87 -2.95 119.74 127.40 1xcq s LYS 24 Ca -0.04 1.68 -0.11 0.00 0.02 0.00 0.00 55.97 57.52 1xcq s LYS 24 Cb -0.18 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 33.78 1xcq s LYS 24 CO -0.07 -0.16 0.25 0.54 -0.92 0.00 0.00 175.35 174.98 1xcq s VAL 25 N 0.88 0.11 -0.03 3.17 0.11 -1.17 -1.86 120.40 121.61 1xcq s VAL 25 Ca 0.56 -0.88 0.07 0.00 -2.93 0.00 0.00 61.98 58.80 1xcq s VAL 25 Cb -0.27 -1.06 -0.01 0.00 -1.53 0.00 0.00 36.38 33.50 1xcq s VAL 25 CO 0.30 -0.48 -0.23 0.20 -3.33 0.00 0.00 175.10 171.55 1xcq s ASN 26 N -2.35 2.74 -0.60 3.54 -0.87 -0.06 -3.50 114.94 113.85 1xcq s ASN 26 Ca -0.02 -0.43 0.04 0.00 -1.57 0.00 0.00 52.86 50.88 1xcq s ASN 26 Cb 0.01 -0.45 0.15 0.00 -0.02 0.00 0.00 41.25 40.94 1xcq s ASN 26 CO -0.06 0.26 0.38 -0.76 -2.57 0.00 0.00 177.10 174.35 1xcq s LEU 27 N -0.40 4.20 0.28 0.60 1.43 -0.86 -1.07 118.68 122.86 1xcq s LEU 27 Ca 0.05 -3.40 -0.29 0.00 -1.03 0.00 0.00 54.13 49.45 1xcq s LEU 27 Cb -0.10 -1.49 -0.10 0.00 0.03 0.00 0.00 46.19 44.53 1xcq s LEU 27 CO 0.00 -0.16 1.24 -0.63 0.23 0.00 0.00 176.35 177.04 1xcq s ILE 28 N -0.79 3.09 0.43 -0.59 1.01 -1.18 -3.13 121.20 120.03 1xcq s ILE 28 Ca 0.22 1.03 0.07 0.00 0.00 0.00 0.00 60.65 61.97 1xcq s ILE 28 Cb -0.13 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 1xcq s ILE 28 CO -0.10 0.22 0.10 -0.36 0.00 0.00 0.00 174.94 174.80 1xcq s PHE 29 N -0.79 2.47 0.16 3.97 0.40 -0.30 -2.85 117.98 121.04 1xcq s PHE 29 Ca 0.50 -0.67 -0.16 0.00 -0.60 0.00 0.00 56.93 56.00 1xcq s PHE 29 Cb -0.36 -1.85 0.08 0.00 0.51 0.00 0.00 43.02 41.40 1xcq s PHE 29 CO 0.45 0.28 1.71 0.00 0.70 0.00 0.00 175.22 178.37 1xcq h ALA 30 N 1.54 0.35 0.00 5.36 0.00 -0.91 -2.07 119.26 123.54 1xcq h ALA 30 Ca -0.43 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1xcq h ALA 30 Cb 1.25 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1xcq h ALA 30 CO 0.75 -0.37 0.00 -0.40 0.00 0.00 0.00 179.25 179.23 1xcq n ASP 31 N -5.15 0.20 0.00 0.00 5.68 -1.26 -4.82 116.55 111.20 1xcq n ASP 31 Ca 0.02 0.57 0.00 0.00 -0.50 0.00 0.00 54.79 54.88 1xcq n ASP 31 Cb 0.18 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.55 1xcq n ASP 31 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xcq n GLY 32 N -0.78 0.79 3.79 6.12 0.00 -0.78 -5.10 105.19 109.23 1xcq n GLY 32 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1xcq n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xcq s LYS 33 N -0.54 3.46 -0.08 1.61 -2.85 -1.26 -4.86 119.74 115.23 1xcq s LYS 33 Ca 0.00 1.46 -0.03 0.00 -1.00 0.00 0.00 55.97 56.40 1xcq s LYS 33 Cb 0.00 -2.04 0.04 0.00 -2.06 0.00 0.00 37.83 33.78 1xcq s LYS 33 CO 0.00 -0.73 0.16 0.42 0.10 0.00 0.00 175.35 175.29 1xcq s ILE 34 N -1.97 -0.20 0.32 3.79 1.01 -1.26 -1.15 121.20 121.73 1xcq s ILE 34 Ca 0.69 0.31 0.09 0.00 0.00 0.00 0.00 60.65 61.74 1xcq s ILE 34 Cb -0.20 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 1xcq s ILE 34 CO 0.27 0.13 0.07 -1.10 0.00 0.00 0.00 174.94 174.31 1xcq s GLN 35 N 1.98 2.29 -0.04 2.79 -0.21 -1.19 -5.01 119.66 120.29 1xcq s GLN 35 Ca -0.00 -1.55 -0.00 0.00 0.02 0.00 0.00 55.36 53.82 1xcq s GLN 35 Cb -0.12 -2.12 0.03 0.00 1.00 0.00 0.00 33.01 31.80 1xcq s GLN 35 CO -0.06 0.19 0.01 0.99 -2.12 0.00 0.00 175.29 174.30 1xcq s THR 36 N -2.41 0.15 0.09 -0.19 2.01 -1.26 -2.02 115.64 112.01 1xcq s THR 36 Ca 0.35 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.51 1xcq s THR 36 Cb -0.03 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.16 1xcq s THR 36 CO 0.21 0.16 -0.07 0.00 -0.69 0.00 0.00 174.62 174.23 1xcq s ALA 37 N 1.27 0.92 0.02 7.40 0.00 -1.23 -5.04 121.76 125.10 1xcq s ALA 37 Ca -0.06 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 50.76 1xcq s ALA 37 Cb -0.13 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1xcq s ALA 37 CO -0.02 -0.16 -0.22 -1.21 0.00 0.00 0.00 175.76 174.15 1xcq s GLU 38 N -3.24 1.57 -0.11 0.00 2.02 -1.26 -3.05 118.70 114.63 1xcq s GLU 38 Ca 0.07 -0.90 -0.01 0.00 0.02 0.00 0.00 54.97 54.15 1xcq s GLU 38 Cb 0.01 -1.63 0.03 0.00 0.10 0.00 0.00 34.13 32.64 1xcq s GLU 38 CO -0.03 0.43 -0.06 -0.06 0.02 0.00 0.00 175.26 175.56 1xcq s PHE 39 N -0.69 1.36 0.07 1.61 0.40 -1.15 -4.94 117.98 114.63 1xcq s PHE 39 Ca 0.08 -0.69 0.05 0.00 -0.60 0.00 0.00 56.93 55.78 1xcq s PHE 39 Cb -0.09 -1.17 -0.04 0.00 0.51 0.00 0.00 43.02 42.24 1xcq s PHE 39 CO 0.01 -0.50 -0.06 0.21 0.70 0.00 0.00 175.22 175.58 1xcq s LYS 40 N 1.75 2.36 0.00 0.44 2.20 -1.26 0.21 119.74 125.44 1xcq s LYS 40 Ca 0.04 -0.89 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 1xcq s LYS 40 Cb -0.13 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 1xcq s LYS 40 CO -0.08 0.54 0.00 0.41 -0.36 0.00 0.00 175.35 175.87 1xcq n GLY 41 N 0.88 0.41 3.65 5.54 0.00 -1.02 -4.71 105.19 109.94 1xcq n GLY 41 Ca -0.13 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1xcq n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xcq s THR 42 N -2.28 3.35 0.22 2.61 -4.23 -1.26 -3.56 115.64 110.49 1xcq s THR 42 Ca 0.00 0.42 0.04 0.00 -1.18 0.00 0.00 61.69 60.96 1xcq s THR 42 Cb 0.00 -3.29 0.28 0.00 1.34 0.00 0.00 72.50 70.83 1xcq s THR 42 CO 0.00 -0.06 1.08 0.33 -0.54 0.00 0.00 174.62 175.43 1xcq n PHE 43 N 7.72 0.50 0.00 3.99 -0.00 -1.26 0.21 117.46 128.62 1xcq n PHE 43 Ca 0.19 0.83 0.00 0.00 -0.00 0.00 0.00 57.45 58.47 1xcq n PHE 43 Cb 0.43 -1.06 0.00 0.00 -0.00 0.00 0.00 39.48 38.85 1xcq n PHE 43 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1xcq n GLU 44 N -4.86 0.00 0.31 -4.13 -0.58 -1.26 0.68 120.64 110.80 1xcq n GLU 44 Ca 0.18 0.53 0.19 0.00 -0.42 0.00 0.00 57.16 57.64 1xcq n GLU 44 Cb 0.59 -1.11 0.99 0.00 -0.57 0.00 0.00 31.44 31.34 1xcq n GLU 44 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1xcq h GLU 45 N 0.00 0.00 -0.04 3.49 4.57 0.09 4.88 114.58 127.57 1xcq h GLU 45 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1xcq h GLU 45 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1xcq h GLU 45 CO 0.00 0.02 -0.12 0.00 -1.18 0.00 0.00 179.01 177.73 1xcq h ALA 46 N 1.98 0.07 0.33 2.92 0.00 0.28 -1.39 119.26 123.45 1xcq h ALA 46 Ca -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1xcq h ALA 46 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1xcq h ALA 46 CO 0.00 -0.03 -0.16 1.15 0.00 0.00 0.00 179.25 180.21 1xcq h THR 47 N -0.40 0.46 -0.99 0.00 2.02 0.40 -2.93 112.91 111.46 1xcq h THR 47 Ca -0.00 -0.76 0.30 0.00 0.77 0.00 0.00 66.41 66.73 1xcq h THR 47 Cb 0.74 0.73 -0.18 0.00 -1.74 0.00 0.00 68.15 67.70 1xcq h THR 47 CO 0.03 0.10 0.14 0.00 0.37 0.00 0.00 175.52 176.16 1xcq h ALA 48 N -0.64 1.40 -0.87 6.16 0.00 0.94 0.77 119.26 127.01 1xcq h ALA 48 Ca -0.04 0.33 0.10 0.00 0.00 0.00 0.00 54.91 55.29 1xcq h ALA 48 Cb 0.51 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1xcq h ALA 48 CO 0.07 -0.66 0.56 1.49 0.00 0.00 0.00 179.25 180.72 1xcq h GLU 49 N 0.01 0.80 0.24 0.00 4.81 -1.15 0.21 114.58 119.50 1xcq h GLU 49 Ca 0.66 -0.05 -0.34 0.00 -0.13 0.00 0.00 59.36 59.50 1xcq h GLU 49 Cb 1.46 -0.18 0.03 0.00 0.63 0.00 0.00 28.75 30.69 1xcq h GLU 49 CO -0.89 0.53 -1.54 0.00 -0.73 0.00 0.00 179.01 176.39 1xcq h ALA 50 N 1.57 -0.10 0.12 2.92 0.00 0.73 -3.22 119.26 121.28 1xcq h ALA 50 Ca 0.41 -0.92 -0.27 0.00 0.00 0.00 0.00 54.91 54.13 1xcq h ALA 50 Cb 0.46 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xcq h ALA 50 CO -0.17 0.76 -1.26 1.88 0.00 0.00 0.00 179.25 180.46 1xcq h TYR 51 N 0.14 0.47 0.00 0.00 0.05 -1.16 -0.14 116.97 116.32 1xcq h TYR 51 Ca -0.27 -0.34 0.00 0.00 0.05 0.00 0.00 58.73 58.17 1xcq h TYR 51 Cb 2.16 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.88 1xcq h TYR 51 CO 0.12 1.28 0.00 -2.13 -1.05 0.00 0.00 178.16 176.38 1xcq n ARG 52 N -3.52 0.39 0.00 4.88 0.63 0.72 -0.51 116.66 119.26 1xcq n ARG 52 Ca -0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.84 1xcq n ARG 52 Cb 1.02 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 32.74 1xcq n ARG 52 CO 0.00 0.00 0.00 0.98 -2.51 0.00 0.00 177.63 176.10 1xcq n TYR 53 N -0.69 0.00 0.03 -0.14 9.36 -1.02 -4.58 117.16 120.12 1xcq n TYR 53 Ca 0.04 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.06 1xcq n TYR 53 Cb 0.02 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.62 1xcq n TYR 53 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1xcq h ALA 54 N 0.00 0.11 0.00 2.98 0.00 -0.06 -1.84 119.26 120.45 1xcq h ALA 54 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1xcq h ALA 54 Cb 0.32 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1xcq h ALA 54 CO 0.00 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1xcq n ALA 55 N -2.63 1.60 -2.70 0.00 0.00 0.33 -4.39 120.51 112.73 1xcq n ALA 55 Ca -0.11 -0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.01 1xcq n ALA 55 Cb 0.81 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.17 1xcq n ALA 55 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xcq s LEU 56 N -1.35 2.47 0.00 0.00 2.96 -0.69 -4.54 118.68 117.53 1xcq s LEU 56 Ca 0.02 -1.55 0.00 0.00 -0.22 0.00 0.00 54.13 52.38 1xcq s LEU 56 Cb 0.01 -0.82 0.00 0.00 0.50 0.00 0.00 46.19 45.88 1xcq s LEU 56 CO 0.01 -0.78 0.00 1.41 -1.32 0.00 0.00 176.35 175.68 1xcq n HIS 57 N -1.24 0.00 -0.32 5.38 8.25 -1.26 -4.73 115.22 121.30 1xcq n HIS 57 Ca -0.15 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.51 1xcq n HIS 57 Cb 0.67 0.00 0.40 0.00 1.12 0.00 0.00 29.99 32.17 1xcq n HIS 57 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xcq h ALA 58 N 0.00 1.63 0.00 -1.41 0.00 -1.76 0.26 119.26 117.98 1xcq h ALA 58 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1xcq h ALA 58 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xcq h ALA 58 CO 0.00 -0.57 0.00 1.63 0.00 0.00 0.00 179.25 180.31 1xcq n LYS 59 N -5.18 0.24 0.00 0.00 5.02 -1.26 -2.71 118.16 114.27 1xcq n LYS 59 Ca 0.27 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1xcq n LYS 59 Cb 0.88 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.81 1xcq n LYS 59 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1xcq n VAL 60 N 0.05 0.00 -2.16 -0.18 3.14 -0.94 -5.05 118.33 113.18 1xcq n VAL 60 Ca 0.00 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.10 1xcq n VAL 60 Cb 0.04 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 32.84 1xcq n VAL 60 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1xcq n ASN 61 N -0.53 5.32 0.00 6.55 6.94 0.88 -4.95 115.26 129.47 1xcq n ASN 61 Ca 0.00 -3.75 0.00 0.00 -0.02 0.00 0.00 54.58 50.81 1xcq n ASN 61 Cb 0.00 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 36.90 1xcq n ASN 61 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xcq n GLY 62 N -0.60 -0.77 3.59 4.83 0.00 -1.22 -2.40 105.19 108.61 1xcq n GLY 62 Ca 0.44 -1.69 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 1xcq n GLY 62 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xcq n GLU 63 N -0.86 0.67 -3.85 1.61 4.07 -1.26 -3.65 120.64 117.37 1xcq n GLU 63 Ca 0.00 -3.01 -0.12 0.00 -0.06 0.00 0.00 57.16 53.98 1xcq n GLU 63 Cb 0.00 -0.01 -0.11 0.00 -0.06 0.00 0.00 31.44 31.26 1xcq n GLU 63 CO 0.00 0.00 0.00 1.67 -0.06 0.00 0.00 177.13 178.74 1xcq s TRP 64 N -2.41 -0.03 -0.38 4.31 1.48 -1.26 -0.23 118.94 120.42 1xcq s TRP 64 Ca 0.46 0.07 0.11 0.00 -1.06 0.00 0.00 56.10 55.68 1xcq s TRP 64 Cb -0.04 -0.01 0.35 0.00 -1.16 0.00 0.00 33.47 32.61 1xcq s TRP 64 CO 0.29 -0.20 0.77 0.25 -4.06 0.00 0.00 176.95 174.00 1xcq n THR 65 N 2.09 -0.15 -0.24 0.66 -2.24 -1.23 -5.00 114.28 108.17 1xcq n THR 65 Ca -0.19 -4.25 -0.06 0.00 -2.27 0.00 0.00 64.05 57.28 1xcq n THR 65 Cb 0.57 -0.08 0.06 0.00 -2.10 0.00 0.00 70.33 68.78 1xcq n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xcq n ALA 66 N 0.29 -1.00 0.00 6.98 0.00 -1.26 -4.00 120.51 121.52 1xcq n ALA 66 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1xcq n ALA 66 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1xcq n ALA 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xcq n ASP 67 N -1.00 0.00 -4.71 0.00 5.68 -1.26 -4.84 116.55 110.42 1xcq n ASP 67 Ca 0.03 0.00 -0.32 0.00 -0.50 0.00 0.00 54.79 53.99 1xcq n ASP 67 Cb 0.11 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.22 1xcq n ASP 67 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1xcq s LEU 68 N 0.00 3.08 0.17 -2.12 1.02 -1.26 -3.51 118.68 116.06 1xcq s LEU 68 Ca 0.00 2.21 -0.23 0.00 0.02 0.00 0.00 54.13 56.13 1xcq s LEU 68 Cb 0.00 -4.57 0.06 0.00 0.02 0.00 0.00 46.19 41.70 1xcq s LEU 68 CO 0.00 -2.58 0.61 -0.70 0.02 0.00 0.00 176.35 173.70 1xcq s GLU 69 N -4.37 1.34 -0.44 1.70 2.12 0.17 -4.91 118.70 114.31 1xcq s GLU 69 Ca 0.69 -0.54 -0.22 0.00 0.36 0.00 0.00 54.97 55.26 1xcq s GLU 69 Cb -0.25 0.59 0.03 0.00 0.26 0.00 0.00 34.13 34.76 1xcq s GLU 69 CO 0.52 -0.59 0.62 -0.25 -0.54 0.00 0.00 175.26 175.02 1xcq n ASP 70 N -0.39 -7.27 -0.91 -1.70 8.00 -1.26 -0.68 116.55 112.33 1xcq n ASP 70 Ca -0.15 0.33 -0.09 0.00 0.71 0.00 0.00 54.79 55.58 1xcq n ASP 70 Cb 0.64 -4.36 -0.04 0.00 -0.02 0.00 0.00 41.12 37.34 1xcq n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xcq n GLY 71 N -0.31 0.89 2.59 0.44 0.00 -1.26 -0.32 105.19 107.22 1xcq n GLY 71 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1xcq n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xcq n GLY 72 N 0.07 3.15 0.01 -0.02 0.00 0.14 -4.92 105.19 103.63 1xcq n GLY 72 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1xcq n GLY 72 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xcq n ASN 73 N 0.00 0.02 -3.95 1.61 5.03 0.56 -4.19 115.26 114.34 1xcq n ASN 73 Ca 0.00 0.30 -0.18 0.00 0.87 0.00 0.00 54.58 55.58 1xcq n ASN 73 Cb 0.00 -0.30 -0.15 0.00 -1.02 0.00 0.00 39.78 38.31 1xcq n ASN 73 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1xcq s HIS 74 N -2.62 0.62 0.01 3.10 2.46 -0.72 -0.09 115.29 118.04 1xcq s HIS 74 Ca -0.00 -0.13 -0.04 0.00 0.47 0.00 0.00 55.06 55.36 1xcq s HIS 74 Cb 0.00 -0.46 -0.01 0.00 -0.13 0.00 0.00 32.58 31.99 1xcq s HIS 74 CO 0.01 -0.07 0.06 1.41 -2.47 0.00 0.00 174.74 173.68 1xcq s MET 75 N 0.20 0.39 -0.29 2.88 1.75 -0.77 0.44 119.30 123.89 1xcq s MET 75 Ca -0.02 -0.47 0.08 0.00 -1.25 0.00 0.00 55.69 54.03 1xcq s MET 75 Cb -0.06 0.15 0.46 0.00 2.84 0.00 0.00 34.83 38.22 1xcq s MET 75 CO -0.00 -0.08 1.33 0.09 -0.65 0.00 0.00 175.02 175.70 1xcq n ASN 76 N 1.60 3.55 -3.04 1.11 3.02 -1.23 -0.88 115.26 119.39 1xcq n ASN 76 Ca -0.23 -3.81 -0.25 0.00 -0.03 0.00 0.00 54.58 50.26 1xcq n ASN 76 Cb 0.55 -0.52 -0.11 0.00 -0.61 0.00 0.00 39.78 39.09 1xcq n ASN 76 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1xcq n ILE 77 N -0.95 0.00 -1.44 2.41 -0.00 -0.23 -4.50 119.36 114.64 1xcq n ILE 77 Ca 0.35 -0.08 -0.30 0.00 -0.00 0.00 0.00 62.75 62.73 1xcq n ILE 77 Cb 0.88 -0.26 0.11 0.00 -0.00 0.00 0.00 39.64 40.37 1xcq n ILE 77 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 1xcq s LYS 78 N 5.77 1.78 -0.20 0.38 1.02 -1.26 -3.10 119.74 124.14 1xcq s LYS 78 Ca 0.91 0.68 -0.04 0.00 0.02 0.00 0.00 55.97 57.54 1xcq s LYS 78 Cb -0.79 -1.88 0.10 0.00 -0.52 0.00 0.00 37.83 34.75 1xcq s LYS 78 CO 0.34 -1.84 0.35 -0.06 -0.92 0.00 0.00 175.35 173.22 1xcq s PHE 79 N -3.09 -0.68 -0.75 3.18 0.40 -1.13 -3.57 117.98 112.34 1xcq s PHE 79 Ca 0.62 0.99 0.25 0.00 -0.60 0.00 0.00 56.93 58.19 1xcq s PHE 79 Cb -0.15 0.05 0.92 0.00 0.51 0.00 0.00 43.02 44.34 1xcq s PHE 79 CO 0.55 -0.57 1.77 0.00 0.70 0.00 0.00 175.22 177.67 1xcq n ALA 80 N 5.36 2.11 -1.32 5.36 0.00 0.69 -0.25 120.51 132.47 1xcq n ALA 80 Ca -0.06 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 1xcq n ALA 80 Cb 0.50 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.46 1xcq n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xcq n GLY 81 N 0.97 1.20 0.00 0.00 0.00 -1.01 -4.74 105.19 101.61 1xcq n GLY 81 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1xcq n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60