#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hcq s LYS 2 N 0.00 4.34 -0.06 0.03 -0.14 -1.26 -4.93 119.74 117.72 1hcq s LYS 2 Ca 0.00 1.79 -0.01 0.00 -1.36 0.00 0.00 55.97 56.39 1hcq s LYS 2 Cb 0.00 -3.53 -0.26 0.00 -1.68 0.00 0.00 37.83 32.36 1hcq s LYS 2 CO 0.00 -0.46 0.60 0.93 -0.76 0.00 0.00 175.35 175.66 1hcq h GLU 3 N 7.48 0.19 -4.21 1.68 5.08 -2.10 -3.48 114.58 119.23 1hcq h GLU 3 Ca -0.36 -0.33 -0.12 0.00 -1.00 0.00 0.00 59.36 57.54 1hcq h GLU 3 Cb 1.17 0.12 -0.15 0.00 0.50 0.00 0.00 28.75 30.39 1hcq h GLU 3 CO 0.88 0.99 -0.67 0.99 -1.00 0.00 0.00 179.01 180.20 1hcq s THR 4 N -2.59 0.21 -0.01 1.13 2.01 -1.26 -5.16 115.64 109.98 1hcq s THR 4 Ca -0.13 -1.74 0.01 0.00 0.31 0.00 0.00 61.69 60.13 1hcq s THR 4 Cb 0.07 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.09 1hcq s THR 4 CO 0.81 -0.96 0.03 -0.13 -0.69 0.00 0.00 174.62 173.68 1hcq s ARG 5 N -3.80 2.90 0.09 4.92 1.81 -1.26 -5.06 118.95 118.56 1hcq s ARG 5 Ca 0.06 -0.55 0.07 0.00 -1.72 0.00 0.00 55.73 53.58 1hcq s ARG 5 Cb 0.07 -2.75 -0.03 0.00 -0.45 0.00 0.00 34.95 31.79 1hcq s ARG 5 CO -0.10 0.64 -0.18 0.71 -0.68 0.00 0.00 175.30 175.69 1hcq s TYR 6 N -1.12 1.55 0.00 -0.53 2.02 -1.26 -0.27 117.35 117.74 1hcq s TYR 6 Ca 0.21 -0.44 -0.30 0.00 -0.37 0.00 0.00 57.07 56.17 1hcq s TYR 6 Cb -0.12 -0.85 -0.07 0.00 -0.40 0.00 0.00 41.96 40.52 1hcq s TYR 6 CO 0.11 0.15 1.74 0.00 -1.57 0.00 0.00 175.55 175.98 1hcq h ALA 8 N 9.56 1.33 0.00 0.00 0.00 -1.70 -0.99 119.26 127.46 1hcq h ALA 8 Ca -0.43 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 1hcq h ALA 8 Cb 1.20 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1hcq h ALA 8 CO 0.94 0.03 -0.96 0.28 0.00 0.00 0.00 179.25 179.54 1hcq h VAL 9 N 0.00 0.76 -0.00 0.00 2.07 -1.90 -3.43 116.25 113.76 1hcq h VAL 9 Ca -0.00 -1.91 0.00 0.00 0.82 0.00 0.00 66.70 65.61 1hcq h VAL 9 Cb 0.08 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1hcq h VAL 9 CO 0.00 0.26 -0.01 0.00 0.02 0.00 0.00 177.57 177.84 1hcq n ASN 11 N -0.11 -4.06 -4.84 0.00 4.13 -0.38 -2.75 115.26 107.26 1hcq n ASN 11 Ca 0.01 0.18 -0.23 0.00 1.68 0.00 0.00 54.58 56.22 1hcq n ASN 11 Cb 0.04 -2.20 0.07 0.00 -1.54 0.00 0.00 39.78 36.15 1hcq n ASN 11 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1hcq s ASP 12 N -2.77 4.83 0.11 6.41 2.15 -1.26 -4.60 116.67 121.53 1hcq s ASP 12 Ca 0.00 -0.07 -0.36 0.00 0.43 0.00 0.00 52.55 52.55 1hcq s ASP 12 Cb 0.00 -0.57 -0.16 0.00 -0.30 0.00 0.00 42.92 41.89 1hcq s ASP 12 CO 0.00 -1.50 1.39 -1.22 -0.17 0.00 0.00 175.17 173.66 1hcq n TYR 13 N -2.63 1.69 -2.21 -5.34 4.01 -1.26 0.50 117.16 111.91 1hcq n TYR 13 Ca 0.11 0.55 -0.31 0.00 -0.16 0.00 0.00 57.90 58.08 1hcq n TYR 13 Cb 0.60 -2.38 -0.02 0.00 -0.31 0.00 0.00 39.34 37.24 1hcq n TYR 13 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1hcq s ALA 14 N 0.54 3.10 -0.03 -0.72 0.00 0.63 -4.22 121.76 121.07 1hcq s ALA 14 Ca 0.82 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.86 1hcq s ALA 14 Cb -0.88 -3.07 -0.05 0.00 0.00 0.00 0.00 23.12 19.11 1hcq s ALA 14 CO 0.45 -0.41 0.03 -1.13 0.00 0.00 0.00 175.76 174.70 1hcq n SER 15 N -2.05 4.06 -0.05 0.00 3.41 0.29 -4.85 113.62 114.43 1hcq n SER 15 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1hcq n SER 15 Cb 0.54 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.25 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 2.63 2.27 3.02 5.00 0.00 -1.19 -5.02 105.19 111.90 1hcq n GLY 16 Ca -0.05 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.90 3.13 -0.03 1.61 5.04 -1.26 -1.75 117.35 121.19 1hcq s TYR 17 Ca 0.00 -2.32 0.06 0.00 -2.44 0.00 0.00 57.07 52.37 1hcq s TYR 17 Cb 0.00 -2.05 -0.01 0.00 0.35 0.00 0.00 41.96 40.25 1hcq s TYR 17 CO 0.00 -0.87 -0.23 -1.01 -1.34 0.00 0.00 175.55 172.10 1hcq s HIS 18 N 1.14 2.11 -1.91 4.97 3.76 -0.60 -4.62 115.29 120.14 1hcq s HIS 18 Ca -0.04 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.39 1hcq s HIS 18 Cb -0.19 -1.38 0.00 0.00 1.11 0.00 0.00 32.58 32.12 1hcq s HIS 18 CO -0.06 -0.10 0.00 0.66 -0.85 0.00 0.00 174.74 174.39 1hcq n TYR 19 N 2.70 -0.06 -0.29 1.40 4.01 -1.26 -1.99 117.16 121.68 1hcq n TYR 19 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1hcq n TYR 19 Cb 0.52 -3.22 0.00 0.00 -0.31 0.00 0.00 39.34 36.33 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 -0.26 0.85 3.12 2.72 0.00 -1.26 -0.90 105.19 109.46 1hcq n GLY 20 Ca -0.18 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 0.13 0.28 1.61 -7.23 -0.84 -4.83 120.40 107.52 1hcq s VAL 21 Ca 0.00 -1.04 -0.30 0.00 -1.81 0.00 0.00 61.98 58.83 1hcq s VAL 21 Cb 0.00 -0.84 -0.11 0.00 0.56 0.00 0.00 36.38 35.99 1hcq s VAL 21 CO 0.00 -0.57 1.58 0.26 -0.31 0.00 0.00 175.10 176.06 1hcq s TRP 22 N -2.46 2.79 0.13 2.82 0.52 -1.26 -1.55 118.94 119.92 1hcq s TRP 22 Ca -0.06 0.78 -0.09 0.00 0.02 0.00 0.00 56.10 56.75 1hcq s TRP 22 Cb -0.02 -4.04 -0.01 0.00 -1.15 0.00 0.00 33.47 28.25 1hcq s TRP 22 CO -0.04 -3.53 0.23 -1.54 0.02 0.00 0.00 176.95 172.10 1hcq s SER 23 N 0.52 0.08 0.57 2.95 1.04 -0.72 -1.89 113.70 116.26 1hcq s SER 23 Ca 0.63 -0.77 -0.05 0.00 0.48 0.00 0.00 55.95 56.25 1hcq s SER 23 Cb -0.47 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.04 1hcq s SER 23 CO 0.46 -0.81 0.87 0.00 0.98 0.00 0.00 173.24 174.74 1hcq h GLU 25 N -0.10 1.29 0.34 0.00 4.39 -1.95 -2.54 114.58 116.01 1hcq h GLU 25 Ca -0.45 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.16 1hcq h GLU 25 Cb 1.26 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 1hcq h GLU 25 CO 0.60 0.86 -0.44 0.78 -1.16 0.00 0.00 179.01 179.65 1hcq h GLY 26 N 1.33 -1.18 1.83 -3.84 0.00 -1.97 -1.73 103.07 97.51 1hcq h GLY 26 Ca 0.38 0.57 0.02 0.00 0.00 0.00 0.00 47.33 48.30 1hcq h GLY 26 CO -0.10 -0.34 0.06 0.00 0.00 0.00 0.00 176.54 176.17 1hcq h LYS 28 N 0.00 -0.12 -0.43 0.00 3.64 -1.04 -0.65 116.57 117.97 1hcq h LYS 28 Ca 0.04 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1hcq h LYS 28 Cb 0.16 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1hcq h LYS 28 CO -0.00 0.09 0.07 0.00 -2.27 0.00 0.00 179.45 177.34 1hcq h ALA 29 N 0.57 0.57 0.01 5.00 0.00 -0.81 0.26 119.26 124.87 1hcq h ALA 29 Ca -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1hcq h ALA 29 Cb 0.27 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1hcq h ALA 29 CO 0.02 0.29 -0.51 0.35 0.00 0.00 0.00 179.25 179.40 1hcq h PHE 30 N 0.57 -1.50 -0.53 0.00 3.57 -1.03 0.72 116.94 118.74 1hcq h PHE 30 Ca 0.13 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1hcq h PHE 30 Cb 0.38 0.65 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1hcq h PHE 30 CO 0.03 -0.56 0.34 0.35 -2.23 0.00 0.00 178.31 176.24 1hcq h PHE 31 N -0.66 0.65 -0.35 0.41 3.57 -0.81 -0.77 116.94 118.98 1hcq h PHE 31 Ca 0.02 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.59 1hcq h PHE 31 Cb 0.72 -0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.16 1hcq h PHE 31 CO -0.50 0.40 -0.52 -0.22 -2.23 0.00 0.00 178.31 175.24 1hcq h LYS 32 N 0.70 -0.41 -0.90 1.11 3.64 0.29 -0.13 116.57 120.88 1hcq h LYS 32 Ca 0.20 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.68 1hcq h LYS 32 Cb -0.06 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 1hcq h LYS 32 CO -0.05 -0.27 0.58 0.00 -2.27 0.00 0.00 179.45 177.44 1hcq h ARG 33 N -0.42 0.96 -0.15 1.90 3.08 -0.46 -1.34 114.38 117.95 1hcq h ARG 33 Ca 0.08 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 1hcq h ARG 33 Cb 0.61 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1hcq h ARG 33 CO -0.56 0.63 -0.29 0.77 -1.07 0.00 0.00 179.97 179.46 1hcq h SER 34 N 0.99 0.29 0.79 7.04 0.02 0.27 -1.87 113.55 121.08 1hcq h SER 34 Ca 0.39 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1hcq h SER 34 Cb 0.24 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1hcq h SER 34 CO -0.15 0.57 -0.01 2.30 -1.14 0.00 0.00 176.83 178.40 1hcq n ILE 35 N -4.12 0.00 -0.68 3.27 -5.35 -0.20 -3.83 119.36 108.45 1hcq n ILE 35 Ca -0.01 -0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.41 1hcq n ILE 35 Cb 0.40 -0.47 -0.00 0.00 -1.74 0.00 0.00 39.64 37.82 1hcq n ILE 35 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1hcq n GLN 36 N -1.40 1.34 0.00 6.28 6.02 -0.70 -4.96 117.38 123.97 1hcq n GLN 36 Ca 0.10 -0.58 0.00 0.00 -0.01 0.00 0.00 57.00 56.51 1hcq n GLN 36 Cb 0.30 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.27 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 1.24 1.04 3.58 1.08 0.00 -1.25 -5.06 105.19 105.83 1hcq n GLY 37 Ca 0.13 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.59 1hcq n GLY 37 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1hcq n HIS 38 N -1.40 0.67 -4.13 1.61 -0.00 -1.26 -4.94 115.22 105.76 1hcq n HIS 38 Ca 0.00 0.49 -0.22 0.00 -0.00 0.00 0.00 57.72 57.99 1hcq n HIS 38 Cb 0.00 -2.14 -0.17 0.00 -0.00 0.00 0.00 29.99 27.68 1hcq n HIS 38 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.34 175.54 1hcq s ASN 39 N -1.01 1.39 -1.10 4.39 0.01 -1.26 -5.06 114.94 112.31 1hcq s ASN 39 Ca 0.69 -0.18 -0.08 0.00 -0.71 0.00 0.00 52.86 52.58 1hcq s ASN 39 Cb -0.48 -0.57 0.28 0.00 0.41 0.00 0.00 41.25 40.88 1hcq s ASN 39 CO 0.53 -0.07 1.14 0.47 -1.51 0.00 0.00 177.10 177.66 1hcq n ASP 40 N 4.34 5.55 -4.87 -1.22 10.43 -1.26 -4.99 116.55 124.53 1hcq n ASP 40 Ca -0.19 -3.10 -0.37 0.00 2.57 0.00 0.00 54.79 53.70 1hcq n ASP 40 Cb 0.51 -1.34 -0.06 0.00 1.84 0.00 0.00 41.12 42.07 1hcq n ASP 40 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1hcq s TYR 41 N -1.51 3.62 0.17 1.24 2.02 -1.26 -5.09 117.35 116.54 1hcq s TYR 41 Ca 0.31 0.60 0.09 0.00 -0.37 0.00 0.00 57.07 57.70 1hcq s TYR 41 Cb -0.08 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 1hcq s TYR 41 CO -0.06 0.72 -0.20 -1.64 -1.57 0.00 0.00 175.55 172.80 1hcq s MET 42 N -1.02 1.33 -0.17 -0.62 -1.94 -1.26 -4.78 119.30 110.84 1hcq s MET 42 Ca 0.16 -1.43 -0.08 0.00 -1.71 0.00 0.00 55.69 52.63 1hcq s MET 42 Cb -0.13 -1.45 -0.05 0.00 2.01 0.00 0.00 34.83 35.21 1hcq s MET 42 CO 0.05 0.30 0.12 0.00 -0.01 0.00 0.00 175.02 175.49 1hcq n PRO 44 N 2.93 0.18 0.00 0.00 -0.04 -1.26 -4.85 135.00 131.96 1hcq n PRO 44 Ca -0.18 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1hcq n PRO 44 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1hcq n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1hcq n ALA 45 N -1.39 0.00 -1.07 0.55 0.00 -1.26 -5.05 120.51 112.29 1hcq n ALA 45 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.63 1hcq n ALA 45 Cb 0.31 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.92 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 1.97 -2.63 0.00 -2.24 -1.26 -4.97 114.28 105.16 1hcq n THR 46 Ca 0.00 -2.22 -0.11 0.00 -2.27 0.00 0.00 64.05 59.44 1hcq n THR 46 Cb 0.00 -0.24 0.02 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.27 -3.87 -2.76 3.42 3.02 -1.26 -4.91 115.26 107.63 1hcq n ASN 47 Ca 0.17 -0.14 -0.03 0.00 -0.03 0.00 0.00 54.58 54.55 1hcq n ASN 47 Cb 0.69 -2.77 0.06 0.00 -0.61 0.00 0.00 39.78 37.15 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 -2.40 1.50 -1.57 3.52 6.02 -1.26 -5.01 117.38 118.17 1hcq n GLN 48 Ca -0.06 -3.00 -0.31 0.00 -0.01 0.00 0.00 57.00 53.61 1hcq n GLN 48 Cb 0.56 -1.12 0.05 0.00 1.02 0.00 0.00 30.24 30.75 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 -2.92 5.17 -0.48 0.00 2.01 -1.26 -5.01 115.64 113.15 1hcq s THR 50 Ca 0.60 0.47 -0.13 0.00 0.31 0.00 0.00 61.69 62.94 1hcq s THR 50 Cb -0.15 -3.72 0.10 0.00 0.01 0.00 0.00 72.50 68.74 1hcq s THR 50 CO 0.52 0.11 0.39 -0.63 -0.69 0.00 0.00 174.62 174.33 1hcq s ILE 51 N 2.06 4.84 0.00 1.82 -1.09 -1.26 -4.65 121.20 122.93 1hcq s ILE 51 Ca 0.14 -1.39 0.00 0.00 -2.23 0.00 0.00 60.65 57.17 1hcq s ILE 51 Cb -0.16 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1hcq s ILE 51 CO 0.10 -0.69 0.00 -0.90 -1.23 0.00 0.00 174.94 172.23 1hcq n ASP 52 N 5.11 1.27 0.23 3.58 5.68 -1.26 -4.44 116.55 126.71 1hcq n ASP 52 Ca -0.12 -0.50 0.10 0.00 -0.50 0.00 0.00 54.79 53.77 1hcq n ASP 52 Cb 0.42 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 40.89 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 0.00 0.00 0.11 3.64 -1.86 -2.18 116.57 116.27 1hcq h LYS 53 Ca 0.00 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.13 1hcq h LYS 53 Cb 0.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1hcq h LYS 53 CO 0.00 0.22 -1.71 0.09 -2.27 0.00 0.00 179.45 175.78 1hcq n ASN 54 N -3.43 0.73 -0.73 4.20 3.02 -1.26 -4.22 115.26 113.57 1hcq n ASN 54 Ca -0.00 0.34 0.13 0.00 -0.03 0.00 0.00 54.58 55.02 1hcq n ASN 54 Cb 0.41 0.21 0.30 0.00 -0.61 0.00 0.00 39.78 40.09 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 -2.93 2.01 -0.10 3.52 1.74 -1.19 -4.44 116.66 115.27 1hcq n ARG 55 Ca -0.16 -1.47 -0.02 0.00 -0.77 0.00 0.00 57.85 55.43 1hcq n ARG 55 Cb 0.98 -1.47 0.22 0.00 -1.02 0.00 0.00 32.46 31.17 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 3.58 0.76 0.00 5.56 0.11 -1.56 -2.31 114.38 120.50 1hcq h ARG 56 Ca 0.00 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 59.93 1hcq h ARG 56 Cb 0.76 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.72 1hcq h ARG 56 CO 0.00 0.69 0.00 1.63 0.10 0.00 0.00 179.97 182.39 1hcq n LYS 57 N -4.29 0.25 0.07 0.08 5.02 -1.26 -3.97 118.16 114.06 1hcq n LYS 57 Ca 0.03 0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.15 1hcq n LYS 57 Cb 0.22 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.59 1hcq n LYS 57 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1hcq h SER 58 N 0.00 0.63 -3.68 4.39 0.02 -1.71 -3.42 113.55 109.78 1hcq h SER 58 Ca 0.00 -0.90 -0.64 0.00 -0.84 0.00 0.00 61.79 59.41 1hcq h SER 58 Cb 0.33 -0.20 -0.39 0.00 0.14 0.00 0.00 62.40 62.28 1hcq h SER 58 CO 0.00 1.47 -0.77 0.00 -1.14 0.00 0.00 176.83 176.40 1hcq h GLN 60 N 7.80 0.00 0.10 0.00 4.20 -1.83 -2.70 115.11 122.69 1hcq h GLN 60 Ca -0.13 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1hcq h GLN 60 Cb 1.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.82 1hcq h GLN 60 CO 0.47 0.29 -0.05 0.00 -0.67 0.00 0.00 178.83 178.87 1hcq h ALA 61 N 1.71 -0.14 0.00 3.87 0.00 -1.87 -2.23 119.26 120.60 1hcq h ALA 61 Ca -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1hcq h ALA 61 Cb 0.82 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1hcq h ALA 61 CO 0.04 -0.32 -0.20 0.00 0.00 0.00 0.00 179.25 178.77 1hcq h ARG 63 N 0.00 0.22 -0.85 0.00 2.43 -1.46 -2.19 114.38 112.54 1hcq h ARG 63 Ca -0.00 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1hcq h ARG 63 Cb 0.40 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 1hcq h ARG 63 CO 0.03 0.66 0.52 1.25 -1.51 0.00 0.00 179.97 180.91 1hcq h LEU 64 N -0.21 1.01 -0.45 3.80 5.85 -0.99 0.33 115.31 124.65 1hcq h LEU 64 Ca 0.01 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1hcq h LEU 64 Cb 0.63 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 1hcq h LEU 64 CO 0.02 0.78 0.10 -0.09 -0.34 0.00 0.00 178.44 178.91 1hcq h ARG 65 N 1.16 0.23 0.00 1.25 2.43 -1.23 0.23 114.38 118.44 1hcq h ARG 65 Ca 0.30 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.38 1hcq h ARG 65 Cb -0.06 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1hcq h ARG 65 CO -0.06 0.15 -0.37 -0.22 -1.51 0.00 0.00 179.97 177.97 1hcq h LYS 66 N 0.23 0.00 -0.04 0.20 3.64 -0.80 0.26 116.57 120.06 1hcq h LYS 66 Ca 0.22 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1hcq h LYS 66 Cb 0.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1hcq h LYS 66 CO -0.28 0.37 0.00 0.00 -2.27 0.00 0.00 179.45 177.27 1hcq h TYR 68 N 0.02 0.92 -0.57 0.00 0.05 -0.89 -2.74 116.97 113.76 1hcq h TYR 68 Ca 0.02 -0.17 0.09 0.00 0.05 0.00 0.00 58.73 58.72 1hcq h TYR 68 Cb 0.02 -0.23 -0.07 0.00 1.01 0.00 0.00 36.73 37.45 1hcq h TYR 68 CO -0.10 0.90 0.18 0.93 -1.05 0.00 0.00 178.16 179.02 1hcq h GLU 69 N 0.68 0.34 -0.00 4.88 5.08 0.04 -2.41 114.58 123.18 1hcq h GLU 69 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1hcq h GLU 69 Cb 0.56 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1hcq h GLU 69 CO 0.03 0.22 -0.01 1.33 -1.00 0.00 0.00 179.01 179.59 1hcq n VAL 70 N -5.04 0.00 0.00 3.13 0.24 -0.39 -4.91 118.33 111.37 1hcq n VAL 70 Ca 0.08 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 1hcq n VAL 70 Cb 0.27 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.16 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 1.23 1.43 3.59 7.63 0.00 -0.91 -4.94 105.19 113.22 1hcq n GLY 71 Ca 0.16 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.70 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 1.24 -3.74 1.61 2.81 -1.04 -4.82 117.12 113.19 1hcq n MET 72 Ca 0.00 0.44 -0.15 0.00 -1.81 0.00 0.00 57.70 56.19 1hcq n MET 72 Cb 0.00 -1.97 -0.15 0.00 -0.71 0.00 0.00 33.22 30.39 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 -0.30 0.05 0.00 0.03 1.00 -0.07 -4.72 119.30 115.28 1hcq s MET 73 Ca 0.74 0.37 0.12 0.00 0.00 0.00 0.00 55.69 56.91 1hcq s MET 73 Cb -0.84 -0.22 0.71 0.00 0.00 0.00 0.00 34.83 34.48 1hcq s MET 73 CO 0.51 -0.20 1.15 1.17 0.00 0.00 0.00 175.02 177.66