#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xcq s VAL 21 N 0.00 0.00 -0.30 6.31 1.01 -1.18 -4.89 120.40 121.36 1xcq s VAL 21 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1xcq s VAL 21 Cb 0.00 -2.23 0.19 0.00 0.00 0.00 0.00 36.38 34.34 1xcq s VAL 21 CO 0.00 0.00 0.66 -0.89 0.00 0.00 0.00 175.10 174.87 1xcq s THR 22 N -2.48 -0.92 -0.92 3.92 2.01 -1.26 -3.56 115.64 112.43 1xcq s THR 22 Ca 0.17 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.98 1xcq s THR 22 Cb 0.02 -0.99 0.12 0.00 0.01 0.00 0.00 72.50 71.66 1xcq s THR 22 CO -0.02 0.00 1.14 -0.63 -0.69 0.00 0.00 174.62 174.42 1xcq s ILE 23 N 2.87 4.65 -0.27 1.82 1.01 -0.44 -4.93 121.20 125.89 1xcq s ILE 23 Ca 0.18 -1.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.09 1xcq s ILE 23 Cb -0.14 -4.79 0.00 0.00 0.01 0.00 0.00 42.46 37.54 1xcq s ILE 23 CO -0.20 -1.54 1.20 -0.54 0.00 0.00 0.00 174.94 173.86 1xcq s LYS 24 N 2.93 4.06 -0.18 2.79 1.02 -1.10 -3.66 119.74 125.61 1xcq s LYS 24 Ca 0.33 1.28 -0.00 0.00 0.02 0.00 0.00 55.97 57.60 1xcq s LYS 24 Cb -0.05 -3.79 0.01 0.00 -0.52 0.00 0.00 37.83 33.48 1xcq s LYS 24 CO -0.08 -0.92 -0.15 0.54 -0.92 0.00 0.00 175.35 173.81 1xcq s VAL 25 N 3.86 2.52 0.51 3.17 0.11 -1.07 -2.68 120.40 126.82 1xcq s VAL 25 Ca 0.51 -0.80 -0.14 0.00 -2.93 0.00 0.00 61.98 58.63 1xcq s VAL 25 Cb -0.16 -2.08 -0.07 0.00 -1.53 0.00 0.00 36.38 32.54 1xcq s VAL 25 CO 0.17 0.51 0.94 0.20 -3.33 0.00 0.00 175.10 173.59 1xcq s ASN 26 N 1.15 6.52 -0.14 3.54 0.01 -1.26 -2.78 114.94 121.98 1xcq s ASN 26 Ca 0.01 1.42 -0.02 0.00 -0.71 0.00 0.00 52.86 53.56 1xcq s ASN 26 Cb -0.14 -2.45 0.04 0.00 0.41 0.00 0.00 41.25 39.11 1xcq s ASN 26 CO -0.06 -0.59 0.02 -0.76 -1.51 0.00 0.00 177.10 174.20 1xcq s LEU 27 N -4.23 0.85 -0.13 0.60 1.43 -1.24 -1.90 118.68 114.06 1xcq s LEU 27 Ca 0.56 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 53.14 1xcq s LEU 27 Cb -0.10 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.58 1xcq s LEU 27 CO 0.36 -0.26 0.07 -0.63 0.23 0.00 0.00 176.35 176.12 1xcq s ILE 28 N 1.93 4.91 0.54 -0.59 1.09 -0.83 0.69 121.20 128.95 1xcq s ILE 28 Ca 0.02 -0.01 0.03 0.00 -1.10 0.00 0.00 60.65 59.59 1xcq s ILE 28 Cb -0.15 -3.14 0.02 0.00 -1.06 0.00 0.00 42.46 38.14 1xcq s ILE 28 CO -0.07 0.57 0.20 -0.36 -0.10 0.00 0.00 174.94 175.18 1xcq s PHE 29 N -0.60 1.62 0.32 3.97 0.40 0.35 -3.24 117.98 120.80 1xcq s PHE 29 Ca 0.11 -0.95 0.00 0.00 -0.60 0.00 0.00 56.93 55.50 1xcq s PHE 29 Cb -0.12 -1.73 0.54 0.00 0.51 0.00 0.00 43.02 42.22 1xcq s PHE 29 CO 0.02 -0.16 1.98 0.00 0.70 0.00 0.00 175.22 177.76 1xcq h ALA 30 N 0.99 1.46 -0.10 5.36 0.00 -1.82 -0.52 119.26 124.63 1xcq h ALA 30 Ca -0.40 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xcq h ALA 30 Cb 1.32 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1xcq h ALA 30 CO 0.65 0.48 0.00 -0.40 0.00 0.00 0.00 179.25 179.98 1xcq n ASP 31 N -4.41 1.82 0.00 0.00 3.85 -1.26 -4.99 116.55 111.56 1xcq n ASP 31 Ca 0.07 -2.16 0.00 0.00 -0.71 0.00 0.00 54.79 51.99 1xcq n ASP 31 Cb 0.05 -0.52 0.00 0.00 -1.35 0.00 0.00 41.12 39.30 1xcq n ASP 31 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xcq n GLY 32 N 0.13 0.65 1.69 6.12 0.00 -0.20 -5.06 105.19 108.51 1xcq n GLY 32 Ca 0.05 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1xcq n GLY 32 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xcq n LYS 33 N 7.07 -2.12 -0.29 1.61 2.85 -1.26 0.13 118.16 126.15 1xcq n LYS 33 Ca 0.00 1.52 0.00 0.00 -1.05 0.00 0.00 58.31 58.78 1xcq n LYS 33 Cb 0.00 -1.97 0.00 0.00 -0.65 0.00 0.00 35.03 32.41 1xcq n LYS 33 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1xcq n ILE 34 N 0.84 0.00 -2.96 0.58 -5.35 -1.20 -2.41 119.36 108.85 1xcq n ILE 34 Ca 0.00 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.41 1xcq n ILE 34 Cb 0.00 -1.25 -0.01 0.00 -1.74 0.00 0.00 39.64 36.64 1xcq n ILE 34 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1xcq s GLN 35 N 0.52 0.98 -0.19 6.28 -1.52 0.22 -4.76 119.66 121.20 1xcq s GLN 35 Ca 0.00 -1.07 -0.29 0.00 -1.95 0.00 0.00 55.36 52.05 1xcq s GLN 35 Cb 0.00 -0.26 -0.06 0.00 -0.22 0.00 0.00 33.01 32.47 1xcq s GLN 35 CO 0.00 -1.31 2.19 2.41 -0.25 0.00 0.00 175.29 178.34 1xcq n THR 36 N 3.25 0.39 -4.68 -0.19 -1.04 -1.26 -3.61 114.28 107.15 1xcq n THR 36 Ca 0.18 -0.42 -0.30 0.00 -2.04 0.00 0.00 64.05 61.47 1xcq n THR 36 Cb 0.54 -2.51 -0.09 0.00 -1.82 0.00 0.00 70.33 66.46 1xcq n THR 36 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xcq s ALA 37 N 7.81 3.62 0.06 2.41 0.00 -1.12 -5.04 121.76 129.50 1xcq s ALA 37 Ca 1.00 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.84 1xcq s ALA 37 Cb -0.36 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1xcq s ALA 37 CO 0.37 -0.10 0.07 -1.21 0.00 0.00 0.00 175.76 174.89 1xcq s GLU 38 N -3.82 0.67 -0.05 0.00 2.02 -1.26 -2.59 118.70 113.67 1xcq s GLU 38 Ca 0.17 -0.99 -0.02 0.00 0.02 0.00 0.00 54.97 54.15 1xcq s GLU 38 Cb 0.04 0.25 0.03 0.00 0.10 0.00 0.00 34.13 34.56 1xcq s GLU 38 CO 0.09 -0.17 0.11 -0.06 0.02 0.00 0.00 175.26 175.25 1xcq s PHE 39 N -3.46 -0.11 -0.05 1.61 0.40 -1.24 -4.96 117.98 110.17 1xcq s PHE 39 Ca 0.02 0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.73 1xcq s PHE 39 Cb 0.04 -0.10 0.01 0.00 0.51 0.00 0.00 43.02 43.48 1xcq s PHE 39 CO -0.09 -0.13 -0.09 0.15 0.70 0.00 0.00 175.22 175.77 1xcq s LYS 40 N 0.95 1.29 0.00 0.44 1.02 -1.26 -1.33 119.74 120.85 1xcq s LYS 40 Ca -0.08 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.63 1xcq s LYS 40 Cb -0.10 -1.13 0.00 0.00 -0.52 0.00 0.00 37.83 36.08 1xcq s LYS 40 CO -0.04 0.00 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 1xcq n GLY 41 N 3.82 -0.50 3.39 -3.33 0.00 -1.23 -4.95 105.19 102.38 1xcq n GLY 41 Ca -0.23 0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 1xcq n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xcq s THR 42 N 0.00 2.41 0.49 2.61 2.01 -1.26 -3.08 115.64 118.82 1xcq s THR 42 Ca 0.00 -1.32 0.25 0.00 0.31 0.00 0.00 61.69 60.92 1xcq s THR 42 Cb 0.00 -1.98 0.42 0.00 0.01 0.00 0.00 72.50 70.95 1xcq s THR 42 CO 0.00 0.34 1.90 0.15 -0.69 0.00 0.00 174.62 176.32 1xcq h PHE 43 N 4.64 0.21 0.00 4.92 3.57 -1.97 1.62 116.94 129.94 1xcq h PHE 43 Ca -0.47 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1xcq h PHE 43 Cb 1.15 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1xcq h PHE 43 CO 0.51 0.06 0.00 -1.91 -2.23 0.00 0.00 178.31 174.74 1xcq n GLU 44 N -4.39 0.00 0.00 1.11 2.13 -1.26 -3.14 120.64 115.10 1xcq n GLU 44 Ca 0.17 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1xcq n GLU 44 Cb 0.77 -1.00 0.02 0.00 0.27 0.00 0.00 31.44 31.50 1xcq n GLU 44 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1xcq n GLU 45 N -1.79 0.04 -0.05 5.31 1.02 -0.19 -2.31 120.64 122.66 1xcq n GLU 45 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1xcq n GLU 45 Cb 0.00 -1.23 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 1xcq n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xcq n ALA 46 N -0.73 1.76 0.08 0.62 0.00 0.54 -3.79 120.51 118.99 1xcq n ALA 46 Ca 0.00 -0.53 0.11 0.00 0.00 0.00 0.00 53.44 53.03 1xcq n ALA 46 Cb 0.00 0.18 0.59 0.00 0.00 0.00 0.00 19.45 20.22 1xcq n ALA 46 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xcq h THR 47 N 0.00 0.93 0.02 0.00 1.35 -1.40 0.43 112.91 114.24 1xcq h THR 47 Ca -0.26 -0.06 -0.06 0.00 -0.55 0.00 0.00 66.41 65.48 1xcq h THR 47 Cb 1.45 0.74 0.01 0.00 -1.73 0.00 0.00 68.15 68.62 1xcq h THR 47 CO -0.02 0.03 -0.26 0.00 -0.25 0.00 0.00 175.52 175.02 1xcq h ALA 48 N 1.83 -0.00 -0.33 6.62 0.00 -1.78 -2.07 119.26 123.54 1xcq h ALA 48 Ca 0.14 -0.51 0.10 0.00 0.00 0.00 0.00 54.91 54.64 1xcq h ALA 48 Cb 0.35 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1xcq h ALA 48 CO -0.02 0.10 0.24 1.49 0.00 0.00 0.00 179.25 181.06 1xcq h GLU 49 N -0.64 0.00 0.32 0.00 4.81 -1.52 0.28 114.58 117.83 1xcq h GLU 49 Ca -0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1xcq h GLU 49 Cb 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1xcq h GLU 49 CO 0.05 0.00 -0.15 0.00 -0.73 0.00 0.00 179.01 178.17 1xcq h ALA 50 N 1.83 -0.51 -0.76 2.92 0.00 -0.97 -2.48 119.26 119.30 1xcq h ALA 50 Ca 0.16 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.15 1xcq h ALA 50 Cb 0.64 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 18.47 1xcq h ALA 50 CO -0.00 -0.48 0.07 1.88 0.00 0.00 0.00 179.25 180.72 1xcq h TYR 51 N -0.92 0.06 -0.36 0.00 0.99 -0.46 0.57 116.97 116.84 1xcq h TYR 51 Ca -0.04 0.05 0.04 0.00 2.00 0.00 0.00 58.73 60.78 1xcq h TYR 51 Cb 0.33 0.09 -0.08 0.00 1.00 0.00 0.00 36.73 38.08 1xcq h TYR 51 CO 0.02 -0.20 -0.52 0.00 -0.00 0.00 0.00 178.16 177.45 1xcq h ARG 52 N 0.15 -0.37 -1.07 4.88 -0.00 -0.61 -1.11 114.38 116.25 1xcq h ARG 52 Ca 0.42 0.03 0.29 0.00 -0.50 0.00 0.00 59.98 60.21 1xcq h ARG 52 Cb 0.75 0.08 -0.10 0.00 0.00 0.00 0.00 29.97 30.71 1xcq h ARG 52 CO -0.62 -0.25 0.68 -0.92 0.00 0.00 0.00 179.97 178.86 1xcq h TYR 53 N -0.39 0.68 0.00 3.04 3.20 0.57 -2.20 116.97 121.88 1xcq h TYR 53 Ca 0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1xcq h TYR 53 Cb 0.56 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1xcq h TYR 53 CO -0.71 0.02 0.00 0.00 -1.64 0.00 0.00 178.16 175.83 1xcq n ALA 54 N -2.46 0.00 -0.24 1.82 0.00 -0.43 -2.01 120.51 117.18 1xcq n ALA 54 Ca 0.27 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.83 1xcq n ALA 54 Cb 0.93 0.05 0.24 0.00 0.00 0.00 0.00 19.45 20.67 1xcq n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xcq n ALA 55 N -1.64 0.42 0.13 0.00 0.00 -1.16 0.28 120.51 118.54 1xcq n ALA 55 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1xcq n ALA 55 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1xcq n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xcq n LEU 56 N -4.92 0.00 0.00 0.00 7.94 -0.83 -3.10 117.00 116.10 1xcq n LEU 56 Ca 0.18 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.28 1xcq n LEU 56 Cb 0.61 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.56 1xcq n LEU 56 CO -0.04 -0.20 0.00 1.41 -1.11 0.00 0.00 177.39 177.45 1xcq n HIS 57 N -1.35 0.00 0.00 1.96 -0.00 0.80 -4.97 115.22 111.66 1xcq n HIS 57 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1xcq n HIS 57 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 1xcq n HIS 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xcq n ALA 58 N -3.00 0.00 -1.57 -1.41 0.00 -1.06 -3.27 120.51 110.19 1xcq n ALA 58 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1xcq n ALA 58 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1xcq n ALA 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xcq n LYS 59 N 0.00 0.12 0.00 0.00 5.02 -1.26 0.43 118.16 122.48 1xcq n LYS 59 Ca 0.00 -1.62 0.00 0.00 -2.02 0.00 0.00 58.31 54.67 1xcq n LYS 59 Cb 0.00 -3.90 0.00 0.00 -0.02 0.00 0.00 35.03 31.11 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 9.06 0.00 -1.39 -0.18 3.14 -1.20 -4.95 118.33 122.81 1xcq n VAL 60 Ca 0.41 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.79 1xcq n VAL 60 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 1xcq n VAL 60 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1xcq n ASN 61 N 0.00 0.00 0.00 6.55 5.15 1.48 -5.13 115.26 123.31 1xcq n ASN 61 Ca 0.00 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 52.98 1xcq n ASN 61 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1xcq n ASN 61 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xcq n GLY 62 N 0.00 2.56 3.85 8.20 0.00 0.10 -3.67 105.19 116.23 1xcq n GLY 62 Ca 0.00 -2.08 -0.32 0.00 0.00 0.00 0.00 46.02 43.63 1xcq n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xcq s GLU 63 N -2.30 3.95 0.48 1.61 2.02 -1.26 -4.16 118.70 119.04 1xcq s GLU 63 Ca 0.00 0.85 -0.06 0.00 0.02 0.00 0.00 54.97 55.78 1xcq s GLU 63 Cb 0.00 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 1xcq s GLU 63 CO 0.00 -0.15 0.79 1.67 0.02 0.00 0.00 175.26 177.59 1xcq s TRP 64 N -2.45 3.56 -0.57 1.61 1.48 -1.26 -2.15 118.94 119.15 1xcq s TRP 64 Ca 0.57 0.84 0.06 0.00 -1.06 0.00 0.00 56.10 56.52 1xcq s TRP 64 Cb -0.10 -2.32 0.25 0.00 -1.16 0.00 0.00 33.47 30.13 1xcq s TRP 64 CO 0.28 -0.28 0.68 2.41 -4.06 0.00 0.00 176.95 175.97 1xcq n THR 65 N -2.22 1.51 -1.96 0.66 -1.04 0.96 -4.93 114.28 107.26 1xcq n THR 65 Ca 0.01 -4.88 -0.37 0.00 -2.04 0.00 0.00 64.05 56.77 1xcq n THR 65 Cb 0.55 -2.06 0.03 0.00 -1.82 0.00 0.00 70.33 67.03 1xcq n THR 65 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xcq s ALA 66 N -2.09 2.77 -0.26 2.41 0.00 -1.26 -3.54 121.76 119.79 1xcq s ALA 66 Ca 0.38 1.15 -0.03 0.00 0.00 0.00 0.00 51.96 53.46 1xcq s ALA 66 Cb 0.15 -3.49 0.15 0.00 0.00 0.00 0.00 23.12 19.92 1xcq s ALA 66 CO -0.04 -1.15 0.45 0.16 0.00 0.00 0.00 175.76 175.17 1xcq s ASP 67 N -1.24 -0.27 -0.00 0.00 -4.77 -0.80 -4.97 116.67 104.62 1xcq s ASP 67 Ca 0.72 0.49 0.04 0.00 -3.30 0.00 0.00 52.55 50.50 1xcq s ASP 67 Cb -0.35 1.44 -0.03 0.00 -1.09 0.00 0.00 42.92 42.89 1xcq s ASP 67 CO 0.40 -0.28 -0.11 -1.48 0.70 0.00 0.00 175.17 174.40 1xcq s LEU 68 N 2.64 2.94 0.00 2.11 2.34 -1.26 -2.44 118.68 125.02 1xcq s LEU 68 Ca 0.13 -0.22 0.00 0.00 0.06 0.00 0.00 54.13 54.11 1xcq s LEU 68 Cb -0.15 -1.68 0.00 0.00 -0.56 0.00 0.00 46.19 43.80 1xcq s LEU 68 CO -0.17 0.29 0.00 -1.84 -1.06 0.00 0.00 176.35 173.57 1xcq n GLU 69 N 1.74 3.97 -3.07 1.48 0.28 0.42 -4.75 120.64 120.72 1xcq n GLU 69 Ca -0.16 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.63 1xcq n GLU 69 Cb 0.52 0.00 0.01 0.00 1.43 0.00 0.00 31.44 33.40 1xcq n GLU 69 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1xcq n ASP 70 N 0.00 -4.76 -0.13 -1.84 9.92 -1.26 0.08 116.55 118.56 1xcq n ASP 70 Ca 0.00 -0.26 -0.02 0.00 -0.53 0.00 0.00 54.79 53.99 1xcq n ASP 70 Cb 0.00 -3.91 -0.01 0.00 -0.64 0.00 0.00 41.12 36.57 1xcq n ASP 70 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xcq n GLY 71 N -1.25 0.34 0.64 0.44 0.00 -1.26 0.31 105.19 104.41 1xcq n GLY 71 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.62 1.21 0.12 -0.02 0.00 0.11 -5.07 105.19 100.91 1xcq n GLY 72 Ca -0.02 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 1xcq n GLY 72 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1xcq h ASN 73 N 0.00 0.15 -3.09 1.61 -0.73 0.19 -3.48 115.58 110.23 1xcq h ASN 73 Ca 0.00 -0.66 -0.65 0.00 1.87 0.00 0.00 56.30 56.86 1xcq h ASN 73 Cb 0.19 -0.05 -0.09 0.00 0.27 0.00 0.00 38.32 38.64 1xcq h ASN 73 CO 0.00 1.62 -0.57 -2.28 -0.37 0.00 0.00 177.43 175.82 1xcq s HIS 74 N -2.43 3.30 -0.45 0.67 2.46 -1.24 -2.69 115.29 114.90 1xcq s HIS 74 Ca -0.26 0.21 0.06 0.00 0.47 0.00 0.00 55.06 55.53 1xcq s HIS 74 Cb 0.06 -1.74 0.20 0.00 -0.13 0.00 0.00 32.58 30.97 1xcq s HIS 74 CO 0.65 0.55 0.57 -0.12 -2.47 0.00 0.00 174.74 173.93 1xcq n MET 75 N 1.13 0.46 -1.63 2.88 0.00 -1.09 -0.43 117.12 118.43 1xcq n MET 75 Ca -0.13 -2.61 -0.47 0.00 0.00 0.00 0.00 57.70 54.50 1xcq n MET 75 Cb 0.53 -1.51 -0.05 0.00 0.00 0.00 0.00 33.22 32.19 1xcq n MET 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1xcq n ASN 76 N 2.50 3.30 -4.26 6.12 5.03 -1.02 -4.25 115.26 122.67 1xcq n ASN 76 Ca 0.22 0.77 -0.40 0.00 0.87 0.00 0.00 54.58 56.04 1xcq n ASN 76 Cb 0.53 -1.40 -0.10 0.00 -1.02 0.00 0.00 39.78 37.80 1xcq n ASN 76 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xcq s ILE 77 N 5.25 4.18 0.38 2.41 1.01 -0.80 -1.91 121.20 131.72 1xcq s ILE 77 Ca 0.96 -1.42 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1xcq s ILE 77 Cb -0.64 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 1xcq s ILE 77 CO 0.48 -0.51 0.17 -1.59 0.00 0.00 0.00 174.94 173.49 1xcq s LYS 78 N 1.41 2.27 0.47 2.79 -2.85 -1.23 -1.95 119.74 120.64 1xcq s LYS 78 Ca 0.03 -1.73 0.01 0.00 -1.00 0.00 0.00 55.97 53.28 1xcq s LYS 78 Cb -0.23 -2.06 0.01 0.00 -2.06 0.00 0.00 37.83 33.49 1xcq s LYS 78 CO 0.02 -0.03 0.05 1.19 0.10 0.00 0.00 175.35 176.68 1xcq n PHE 79 N -1.20 0.81 0.04 1.78 3.72 -1.20 0.32 117.46 121.73 1xcq n PHE 79 Ca -0.02 -2.24 -0.00 0.00 -0.05 0.00 0.00 57.45 55.14 1xcq n PHE 79 Cb 0.63 -0.32 -0.00 0.00 -0.94 0.00 0.00 39.48 38.85 1xcq n PHE 79 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xcq n ALA 80 N -1.60 2.90 0.00 4.37 0.00 -0.92 -4.76 120.51 120.50 1xcq n ALA 80 Ca -0.19 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1xcq n ALA 80 Cb 0.58 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.22 1xcq n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91