#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hcq s ARG 5 N 0.00 3.35 -0.05 -2.82 1.81 -1.26 -5.06 118.95 114.92 1hcq s ARG 5 Ca 0.00 -0.34 0.06 0.00 -1.72 0.00 0.00 55.73 53.72 1hcq s ARG 5 Cb 0.00 -3.05 -0.01 0.00 -0.45 0.00 0.00 34.95 31.44 1hcq s ARG 5 CO 0.00 0.68 -0.22 0.71 -0.68 0.00 0.00 175.30 175.79 1hcq s TYR 6 N -1.27 2.15 -0.04 -0.53 2.02 -1.26 -0.58 117.35 117.84 1hcq s TYR 6 Ca 0.25 -0.60 -0.39 0.00 -0.37 0.00 0.00 57.07 55.96 1hcq s TYR 6 Cb -0.12 -1.41 -0.18 0.00 -0.40 0.00 0.00 41.96 39.84 1hcq s TYR 6 CO 0.16 -0.17 1.29 0.00 -1.57 0.00 0.00 175.55 175.26 1hcq h ALA 8 N 4.19 1.05 0.00 0.00 0.00 -1.55 -0.35 119.26 122.60 1hcq h ALA 8 Ca -0.49 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1hcq h ALA 8 Cb 1.38 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1hcq h ALA 8 CO 0.76 0.29 -0.48 0.28 0.00 0.00 0.00 179.25 180.10 1hcq h VAL 9 N 0.00 0.35 -0.00 0.00 2.07 -1.87 -3.44 116.25 113.36 1hcq h VAL 9 Ca -0.00 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.16 1hcq h VAL 9 Cb 0.72 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1hcq h VAL 9 CO 0.03 0.12 -0.30 0.00 0.02 0.00 0.00 177.57 177.44 1hcq n ASN 11 N -1.00 -3.51 -3.17 0.00 4.13 -0.14 -3.70 115.26 107.86 1hcq n ASN 11 Ca 0.02 0.03 -0.19 0.00 1.68 0.00 0.00 54.58 56.12 1hcq n ASN 11 Cb 0.12 -1.14 0.15 0.00 -1.54 0.00 0.00 39.78 37.37 1hcq n ASN 11 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1hcq n ASP 12 N 0.40 -1.17 -4.73 6.41 2.03 -1.26 -4.50 116.55 113.73 1hcq n ASP 12 Ca -0.01 -1.03 -0.42 0.00 0.52 0.00 0.00 54.79 53.85 1hcq n ASP 12 Cb 0.10 -0.63 -0.03 0.00 -0.72 0.00 0.00 41.12 39.84 1hcq n ASP 12 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1hcq s TYR 13 N -2.42 3.26 0.77 -0.67 2.02 -1.26 0.43 117.35 119.48 1hcq s TYR 13 Ca 0.46 1.15 -0.11 0.00 -0.37 0.00 0.00 57.07 58.19 1hcq s TYR 13 Cb -0.03 -3.62 0.05 0.00 -0.40 0.00 0.00 41.96 37.96 1hcq s TYR 13 CO 0.34 -1.99 1.08 0.00 -1.57 0.00 0.00 175.55 173.41 1hcq s ALA 14 N 0.45 2.30 -0.06 3.71 0.00 0.26 -4.29 121.76 124.13 1hcq s ALA 14 Ca 0.59 0.04 0.09 0.00 0.00 0.00 0.00 51.96 52.68 1hcq s ALA 14 Cb -0.36 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 19.44 1hcq s ALA 14 CO 0.35 -1.65 0.11 -1.13 0.00 0.00 0.00 175.76 173.44 1hcq n SER 15 N -3.42 2.75 -0.70 0.00 3.41 -0.38 -4.86 113.62 110.41 1hcq n SER 15 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1hcq n SER 15 Cb 0.54 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.53 1hcq n SER 15 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1hcq n GLY 16 N 2.22 0.62 3.34 5.00 0.00 -1.20 -5.04 105.19 110.14 1hcq n GLY 16 Ca -0.09 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 1hcq n GLY 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1hcq s TYR 17 N -2.41 3.25 -0.04 1.61 5.04 -1.26 -1.91 117.35 121.64 1hcq s TYR 17 Ca 0.00 -1.12 0.06 0.00 -2.44 0.00 0.00 57.07 53.57 1hcq s TYR 17 Cb 0.00 -2.43 -0.02 0.00 0.35 0.00 0.00 41.96 39.87 1hcq s TYR 17 CO 0.00 -0.68 -0.24 -1.01 -1.34 0.00 0.00 175.55 172.28 1hcq s HIS 18 N 1.51 2.43 -0.81 4.97 3.76 0.98 -4.63 115.29 123.49 1hcq s HIS 18 Ca 0.01 -0.54 0.00 0.00 -0.15 0.00 0.00 55.06 54.38 1hcq s HIS 18 Cb -0.19 -1.57 0.00 0.00 1.11 0.00 0.00 32.58 31.93 1hcq s HIS 18 CO 0.05 -0.10 0.00 0.66 -0.85 0.00 0.00 174.74 174.51 1hcq n TYR 19 N 2.67 -0.52 0.00 1.40 4.01 -1.26 -2.17 117.16 121.29 1hcq n TYR 19 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1hcq n TYR 19 Cb 0.52 -1.93 0.00 0.00 -0.31 0.00 0.00 39.34 37.62 1hcq n TYR 19 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1hcq n GLY 20 N -0.09 0.93 3.47 2.72 0.00 -1.26 -0.70 105.19 110.25 1hcq n GLY 20 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1hcq n GLY 20 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hcq s VAL 21 N -2.00 0.00 0.04 1.61 -7.23 -0.92 -4.84 120.40 107.06 1hcq s VAL 21 Ca 0.00 -1.62 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 1hcq s VAL 21 Cb 0.00 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1hcq s VAL 21 CO 0.00 0.00 1.02 0.26 -0.31 0.00 0.00 175.10 176.07 1hcq s TRP 22 N -3.41 3.64 -0.01 2.82 0.52 -1.26 -0.02 118.94 121.22 1hcq s TRP 22 Ca 0.30 1.64 -0.26 0.00 0.02 0.00 0.00 56.10 57.80 1hcq s TRP 22 Cb 0.01 -3.17 0.06 0.00 -1.15 0.00 0.00 33.47 29.21 1hcq s TRP 22 CO 0.17 -0.23 0.58 -1.54 0.02 0.00 0.00 176.95 175.96 1hcq s SER 23 N 0.78 -0.53 0.94 2.95 1.04 -0.80 -1.37 113.70 116.70 1hcq s SER 23 Ca 0.52 0.45 -0.12 0.00 0.48 0.00 0.00 55.95 57.29 1hcq s SER 23 Cb -0.23 0.50 0.15 0.00 0.10 0.00 0.00 66.02 66.54 1hcq s SER 23 CO 0.29 -0.64 1.09 0.00 0.98 0.00 0.00 173.24 174.96 1hcq h GLU 25 N -1.70 0.00 0.17 0.00 4.39 -1.94 -1.51 114.58 113.99 1hcq h GLU 25 Ca -0.51 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 1hcq h GLU 25 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1hcq h GLU 25 CO 0.55 0.28 -0.08 0.78 -1.16 0.00 0.00 179.01 179.38 1hcq h GLY 26 N 0.97 -0.24 2.00 -3.84 0.00 -1.97 -0.85 103.07 99.14 1hcq h GLY 26 Ca -0.00 0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 1hcq h GLY 26 CO 0.04 -0.09 -0.30 0.00 0.00 0.00 0.00 176.54 176.19 1hcq h LYS 28 N 0.00 -0.15 -0.36 0.00 3.64 -1.00 0.16 116.57 118.86 1hcq h LYS 28 Ca -0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1hcq h LYS 28 Cb 0.72 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 1hcq h LYS 28 CO 0.04 0.13 -0.11 0.00 -2.27 0.00 0.00 179.45 177.24 1hcq h ALA 29 N 0.42 1.12 -0.26 5.00 0.00 -0.92 0.96 119.26 125.58 1hcq h ALA 29 Ca -0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1hcq h ALA 29 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1hcq h ALA 29 CO 0.03 0.55 0.16 0.35 0.00 0.00 0.00 179.25 180.33 1hcq h PHE 30 N 0.58 0.35 -0.74 0.00 3.57 -1.02 0.57 116.94 120.24 1hcq h PHE 30 Ca 0.10 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1hcq h PHE 30 Cb 0.54 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1hcq h PHE 30 CO 0.02 0.27 0.33 0.35 -2.23 0.00 0.00 178.31 177.05 1hcq h PHE 31 N 0.33 1.08 0.14 0.41 3.57 -0.63 0.97 116.94 122.81 1hcq h PHE 31 Ca 0.09 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1hcq h PHE 31 Cb 0.02 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 1hcq h PHE 31 CO -0.04 0.80 -0.17 -0.22 -2.23 0.00 0.00 178.31 176.44 1hcq h LYS 32 N 1.06 -0.34 -0.88 1.11 3.64 0.67 -1.65 116.57 120.19 1hcq h LYS 32 Ca 0.25 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.71 1hcq h LYS 32 Cb 0.14 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 1hcq h LYS 32 CO -0.03 -0.23 0.56 0.00 -2.27 0.00 0.00 179.45 177.48 1hcq h ARG 33 N -0.35 1.01 -0.48 1.90 3.08 0.60 -2.65 114.38 117.49 1hcq h ARG 33 Ca 0.01 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.06 1hcq h ARG 33 Cb 0.35 -0.23 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 1hcq h ARG 33 CO -0.07 0.67 0.19 0.77 -1.07 0.00 0.00 179.97 180.47 1hcq h SER 34 N 1.04 0.23 0.41 7.04 0.02 0.07 0.52 113.55 122.88 1hcq h SER 34 Ca 0.37 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1hcq h SER 34 Cb 0.10 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1hcq h SER 34 CO -0.15 0.16 0.00 2.30 -1.14 0.00 0.00 176.83 178.01 1hcq n ILE 35 N -4.97 1.02 1.52 3.27 -0.00 -0.77 -2.18 119.36 117.26 1hcq n ILE 35 Ca 0.04 0.26 0.08 0.00 -0.00 0.00 0.00 62.75 63.13 1hcq n ILE 35 Cb 0.17 -1.03 0.35 0.00 -0.00 0.00 0.00 39.64 39.13 1hcq n ILE 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1hcq n GLN 36 N -1.46 1.42 0.00 6.28 6.02 0.17 -4.97 117.38 124.84 1hcq n GLN 36 Ca 0.04 -0.63 0.00 0.00 -0.01 0.00 0.00 57.00 56.39 1hcq n GLN 36 Cb 0.14 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.11 1hcq n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1hcq n GLY 37 N 0.93 3.42 3.59 1.08 0.00 -0.92 -5.14 105.19 108.16 1hcq n GLY 37 Ca 0.13 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 1hcq n GLY 37 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1hcq s HIS 38 N 0.00 -0.32 0.47 1.61 -3.43 -1.26 -4.86 115.29 107.50 1hcq s HIS 38 Ca 0.00 0.57 -0.21 0.00 -0.80 0.00 0.00 55.06 54.62 1hcq s HIS 38 Cb 0.00 0.45 -0.08 0.00 -1.43 0.00 0.00 32.58 31.52 1hcq s HIS 38 CO 0.00 -0.29 1.05 -0.80 -2.00 0.00 0.00 174.74 172.70 1hcq s ASN 39 N -1.00 6.38 0.35 7.38 0.01 -1.26 -4.94 114.94 121.85 1hcq s ASN 39 Ca 0.00 1.97 -0.25 0.00 -0.71 0.00 0.00 52.86 53.87 1hcq s ASN 39 Cb -0.01 -2.57 -0.13 0.00 0.41 0.00 0.00 41.25 38.95 1hcq s ASN 39 CO -0.00 -0.76 0.75 0.47 -1.51 0.00 0.00 177.10 176.05 1hcq n ASP 40 N -0.82 0.06 -4.95 -1.22 9.92 -1.26 -4.95 116.55 113.33 1hcq n ASP 40 Ca 0.09 1.05 -0.23 0.00 -0.53 0.00 0.00 54.79 55.16 1hcq n ASP 40 Cb 0.52 -1.18 0.03 0.00 -0.64 0.00 0.00 41.12 39.85 1hcq n ASP 40 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1hcq s TYR 41 N -1.24 3.04 -0.07 1.24 2.02 -1.26 -5.08 117.35 115.99 1hcq s TYR 41 Ca 0.62 0.22 0.01 0.00 -0.37 0.00 0.00 57.07 57.54 1hcq s TYR 41 Cb -0.68 -2.67 0.02 0.00 -0.40 0.00 0.00 41.96 38.23 1hcq s TYR 41 CO 0.58 -0.78 -0.06 -1.64 -1.57 0.00 0.00 175.55 172.08 1hcq s MET 42 N -4.79 1.15 -0.00 -0.62 -1.94 -1.26 -4.85 119.30 106.99 1hcq s MET 42 Ca 0.54 -0.17 -0.26 0.00 -1.71 0.00 0.00 55.69 54.09 1hcq s MET 42 Cb -0.10 -1.16 -0.04 0.00 2.01 0.00 0.00 34.83 35.54 1hcq s MET 42 CO 0.40 -0.13 0.81 0.00 -0.01 0.00 0.00 175.02 176.09 1hcq h PRO 44 N 6.34 0.00 0.00 0.00 0.13 -1.99 -3.45 132.00 133.03 1hcq h PRO 44 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1hcq h PRO 44 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1hcq h PRO 44 CO 0.74 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 1hcq n ALA 45 N -1.89 0.00 -1.36 -0.56 0.00 -1.26 -5.05 120.51 110.39 1hcq n ALA 45 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 1hcq n ALA 45 Cb 0.27 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.93 1hcq n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1hcq n THR 46 N 0.00 2.45 -2.76 0.00 -2.24 -1.26 -4.94 114.28 105.53 1hcq n THR 46 Ca 0.00 -2.59 -0.14 0.00 -2.27 0.00 0.00 64.05 59.05 1hcq n THR 46 Cb 0.00 -0.30 0.02 0.00 -2.10 0.00 0.00 70.33 67.96 1hcq n THR 46 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1hcq n ASN 47 N -1.03 -4.42 -2.71 3.42 3.02 -1.26 -4.89 115.26 107.38 1hcq n ASN 47 Ca 0.29 -0.19 -0.06 0.00 -0.03 0.00 0.00 54.58 54.60 1hcq n ASN 47 Cb 0.97 -3.28 0.07 0.00 -0.61 0.00 0.00 39.78 36.93 1hcq n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hcq n GLN 48 N -2.82 1.31 -1.27 3.52 6.02 -1.26 -5.05 117.38 117.83 1hcq n GLN 48 Ca -0.07 -2.78 -0.29 0.00 -0.01 0.00 0.00 57.00 53.86 1hcq n GLN 48 Cb 0.57 -0.88 0.15 0.00 1.02 0.00 0.00 30.24 31.10 1hcq n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1hcq s THR 50 N -3.02 4.65 -0.30 0.00 2.01 -1.26 -5.02 115.64 112.71 1hcq s THR 50 Ca 0.64 -0.13 -0.20 0.00 0.31 0.00 0.00 61.69 62.32 1hcq s THR 50 Cb -0.17 -4.41 -0.01 0.00 0.01 0.00 0.00 72.50 67.92 1hcq s THR 50 CO 0.56 -0.94 0.61 -0.63 -0.69 0.00 0.00 174.62 173.53 1hcq s ILE 51 N 3.24 4.96 0.09 1.82 -1.09 -1.26 -4.57 121.20 124.39 1hcq s ILE 51 Ca 0.22 0.84 0.02 0.00 -2.23 0.00 0.00 60.65 59.49 1hcq s ILE 51 Cb -0.16 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.74 1hcq s ILE 51 CO 0.15 -0.11 0.08 -0.90 -1.23 0.00 0.00 174.94 172.93 1hcq n ASP 52 N 5.82 -0.21 -0.20 3.58 5.68 -1.26 -4.61 116.55 125.36 1hcq n ASP 52 Ca -0.02 -1.56 0.08 0.00 -0.50 0.00 0.00 54.79 52.80 1hcq n ASP 52 Cb 0.49 0.46 0.37 0.00 -1.14 0.00 0.00 41.12 41.30 1hcq n ASP 52 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1hcq h LYS 53 N 0.00 0.69 0.00 0.11 3.64 -1.93 -0.59 116.57 118.49 1hcq h LYS 53 Ca -0.06 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.20 1hcq h LYS 53 Cb 0.31 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1hcq h LYS 53 CO 0.09 0.46 -0.93 0.09 -2.27 0.00 0.00 179.45 176.88 1hcq n ASN 54 N -4.49 1.86 0.06 4.20 3.02 -1.26 -4.36 115.26 114.29 1hcq n ASN 54 Ca 0.12 0.50 0.04 0.00 -0.03 0.00 0.00 54.58 55.21 1hcq n ASN 54 Cb 0.30 -0.85 0.19 0.00 -0.61 0.00 0.00 39.78 38.81 1hcq n ASN 54 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1hcq n ARG 55 N -4.52 0.05 0.24 3.52 1.74 -1.23 -2.51 116.66 113.96 1hcq n ARG 55 Ca -0.17 0.50 0.09 0.00 -0.77 0.00 0.00 57.85 57.50 1hcq n ARG 55 Cb 0.45 -1.74 0.61 0.00 -1.02 0.00 0.00 32.46 30.76 1hcq n ARG 55 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1hcq h ARG 56 N 0.00 0.00 0.00 5.56 0.11 -1.30 -2.74 114.38 116.02 1hcq h ARG 56 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1hcq h ARG 56 Cb 0.18 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 1hcq h ARG 56 CO 0.00 0.17 -0.19 0.87 0.10 0.00 0.00 179.97 180.92 1hcq h LYS 57 N 0.00 0.00 0.36 0.08 1.57 -1.77 -3.36 116.57 113.45 1hcq h LYS 57 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1hcq h LYS 57 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1hcq h LYS 57 CO 0.02 0.19 -0.17 0.77 -0.57 0.00 0.00 179.45 179.69 1hcq h SER 58 N 0.00 -0.41 -3.52 0.86 0.02 -1.72 -3.41 113.55 105.37 1hcq h SER 58 Ca -0.00 0.01 -0.76 0.00 -0.84 0.00 0.00 61.79 60.20 1hcq h SER 58 Cb 0.71 0.11 -0.27 0.00 0.14 0.00 0.00 62.40 63.09 1hcq h SER 58 CO 0.03 -0.05 -0.15 0.00 -1.14 0.00 0.00 176.83 175.52 1hcq h GLN 60 N 8.19 0.17 -0.61 0.00 4.20 -1.81 -1.95 115.11 123.30 1hcq h GLN 60 Ca -0.10 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.44 1hcq h GLN 60 Cb 1.06 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 1hcq h GLN 60 CO 0.86 0.55 0.01 0.00 -0.67 0.00 0.00 178.83 179.59 1hcq h ALA 61 N 1.44 0.82 -0.19 3.87 0.00 -1.89 -1.43 119.26 121.88 1hcq h ALA 61 Ca 0.01 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1hcq h ALA 61 Cb 0.78 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1hcq h ALA 61 CO 0.06 0.65 -0.59 0.00 0.00 0.00 0.00 179.25 179.37 1hcq h ARG 63 N 0.46 -0.25 -0.63 0.00 2.43 -1.12 0.62 114.38 115.90 1hcq h ARG 63 Ca 0.00 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1hcq h ARG 63 Cb 1.15 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 1hcq h ARG 63 CO 0.11 -0.17 0.21 1.25 -1.51 0.00 0.00 179.97 179.86 1hcq h LEU 64 N -0.26 0.88 -0.51 3.80 5.85 -1.26 0.24 115.31 124.04 1hcq h LEU 64 Ca 0.09 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1hcq h LEU 64 Cb 0.39 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1hcq h LEU 64 CO -0.25 0.82 0.23 -0.09 -0.34 0.00 0.00 178.44 178.81 1hcq h ARG 65 N 0.92 0.75 0.00 1.25 2.43 -1.16 0.06 114.38 118.64 1hcq h ARG 65 Ca 0.21 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1hcq h ARG 65 Cb 0.25 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1hcq h ARG 65 CO -0.01 0.64 -0.30 -0.22 -1.51 0.00 0.00 179.97 178.57 1hcq h LYS 66 N 0.69 0.00 -0.14 0.20 3.64 -0.26 0.94 116.57 121.64 1hcq h LYS 66 Ca 0.17 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1hcq h LYS 66 Cb 0.15 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1hcq h LYS 66 CO -0.02 0.30 0.00 0.00 -2.27 0.00 0.00 179.45 177.46 1hcq h TYR 68 N 0.05 0.67 -0.88 0.00 0.05 -0.69 -2.87 116.97 113.30 1hcq h TYR 68 Ca 0.06 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.61 1hcq h TYR 68 Cb 0.07 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 37.65 1hcq h TYR 68 CO -0.14 0.96 0.56 0.93 -1.05 0.00 0.00 178.16 179.42 1hcq h GLU 69 N 0.41 1.18 -0.00 4.88 5.08 -0.30 -0.74 114.58 125.08 1hcq h GLU 69 Ca 0.01 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1hcq h GLU 69 Cb 1.09 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1hcq h GLU 69 CO 0.10 0.80 -0.00 1.33 -1.00 0.00 0.00 179.01 180.24 1hcq n VAL 70 N -4.44 0.00 0.00 3.13 0.24 -0.84 -4.94 118.33 111.48 1hcq n VAL 70 Ca 0.09 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1hcq n VAL 70 Cb 0.03 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.91 1hcq n VAL 70 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1hcq n GLY 71 N 1.05 2.43 1.98 7.63 0.00 -0.29 -4.91 105.19 113.08 1hcq n GLY 71 Ca 0.22 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1hcq n GLY 71 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1hcq n MET 72 N 0.00 0.00 -3.64 1.61 2.81 -1.09 -4.92 117.12 111.89 1hcq n MET 72 Ca 0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.77 1hcq n MET 72 Cb 0.00 -0.71 -0.05 0.00 -0.71 0.00 0.00 33.22 31.75 1hcq n MET 72 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1hcq s MET 73 N -0.31 1.00 0.00 0.03 1.00 0.12 -4.68 119.30 116.47 1hcq s MET 73 Ca 0.44 -0.54 0.18 0.00 0.00 0.00 0.00 55.69 55.77 1hcq s MET 73 Cb -0.62 0.44 1.05 0.00 0.00 0.00 0.00 34.83 35.70 1hcq s MET 73 CO 0.32 -0.37 1.45 1.63 0.00 0.00 0.00 175.02 178.06