#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ahq s TYR 2 N 0.00 -0.12 -0.07 1.09 1.13 -1.26 -5.19 117.35 112.93 2ahq s TYR 2 Ca 0.00 0.06 -0.32 0.00 -1.41 0.00 0.00 57.07 55.40 2ahq s TYR 2 Cb 0.00 0.52 0.12 0.00 -1.10 0.00 0.00 41.96 41.50 2ahq s TYR 2 CO 0.00 -0.23 1.12 -1.54 -2.51 0.00 0.00 175.55 172.39 2ahq s SER 3 N -2.32 -0.18 0.04 -0.18 1.04 -1.26 -5.19 113.70 105.65 2ahq s SER 3 Ca 0.10 -0.07 -0.28 0.00 0.48 0.00 0.00 55.95 56.17 2ahq s SER 3 Cb -0.00 0.24 0.10 0.00 0.10 0.00 0.00 66.02 66.46 2ahq s SER 3 CO -0.05 -0.41 1.19 -0.22 0.98 0.00 0.00 173.24 174.73 2ahq s LEU 4 N -2.50 -0.08 -0.14 2.42 2.96 -1.26 -5.19 118.68 114.89 2ahq s LEU 4 Ca 0.10 -0.24 -0.34 0.00 -0.22 0.00 0.00 54.13 53.43 2ahq s LEU 4 Cb 0.00 1.62 0.15 0.00 0.50 0.00 0.00 46.19 48.47 2ahq s LEU 4 CO -0.05 -0.50 1.44 0.00 -1.32 0.00 0.00 176.35 175.92 2ahq s ARG 5 N -2.63 0.01 0.22 1.98 1.70 -1.26 -5.19 118.95 113.77 2ahq s ARG 5 Ca 0.15 -0.00 -0.18 0.00 -0.47 0.00 0.00 55.73 55.23 2ahq s ARG 5 Cb 0.03 0.00 0.02 0.00 -0.57 0.00 0.00 34.95 34.43 2ahq s ARG 5 CO -0.02 -0.00 0.56 0.99 -1.08 0.00 0.00 175.30 175.75 2ahq s THR 6 N -2.01 0.02 -0.23 4.99 2.01 -1.26 -5.17 115.64 113.99 2ahq s THR 6 Ca 0.14 -0.86 -0.12 0.00 0.31 0.00 0.00 61.69 61.16 2ahq s THR 6 Cb 0.06 -1.71 0.08 0.00 0.01 0.00 0.00 72.50 70.94 2ahq s THR 6 CO -0.06 -0.08 0.55 0.72 -0.69 0.00 0.00 174.62 175.06 2ahq s PHE 7 N -3.89 -0.89 0.00 4.92 -0.71 -1.26 -5.16 117.98 110.99 2ahq s PHE 7 Ca 0.11 1.76 0.00 0.00 -1.04 0.00 0.00 56.93 57.76 2ahq s PHE 7 Cb -0.02 0.48 0.00 0.00 -1.21 0.00 0.00 43.02 42.27 2ahq s PHE 7 CO -0.00 -0.47 0.00 0.34 -1.34 0.00 0.00 175.22 173.75 2ahq n PHE 8 N 4.52 0.00 0.00 3.49 7.35 -1.26 -5.15 117.46 126.41 2ahq n PHE 8 Ca -0.19 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.50 2ahq n PHE 8 Cb 0.56 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.39 2ahq n PHE 8 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2ahq n VAL 9 N -0.05 0.00 0.00 -2.13 0.31 -1.26 -5.15 118.33 110.06 2ahq n VAL 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2ahq n VAL 9 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2ahq n VAL 9 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2ahq n ARG 10 N 0.00 0.00 -3.72 5.55 1.85 -1.26 -5.18 116.66 113.90 2ahq n ARG 10 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 2ahq n ARG 10 Cb 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.33 2ahq n ARG 10 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2ahq s GLU 11 N 0.00 0.77 0.32 2.89 -1.05 -1.26 -5.13 118.70 115.24 2ahq s GLU 11 Ca 0.00 -0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.61 2ahq s GLU 11 Cb 0.00 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 2ahq s GLU 11 CO 0.00 -0.23 0.00 0.43 0.95 0.00 0.00 175.26 176.41 2ahq n SER 12 N 1.02 -4.07 -3.44 0.83 7.64 -1.26 -4.92 113.62 109.42 2ahq n SER 12 Ca -0.20 0.75 -0.31 0.00 1.01 0.00 0.00 58.87 60.12 2ahq n SER 12 Cb 0.57 -2.57 0.28 0.00 -1.01 0.00 0.00 64.21 61.48 2ahq n SER 12 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ahq s ALA 13 N -3.65 -0.44 -0.01 -0.43 0.00 -1.26 -4.80 121.76 111.16 2ahq s ALA 13 Ca 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.01 2ahq s ALA 13 Cb 0.00 -2.91 -0.26 0.00 0.00 0.00 0.00 23.12 19.96 2ahq s ALA 13 CO 0.00 -4.43 3.57 -0.85 0.00 0.00 0.00 175.76 174.05 2ahq n GLU 14 N -5.49 1.98 -1.55 0.00 0.28 -1.26 -4.63 120.64 109.96 2ahq n GLU 14 Ca 0.14 -0.99 -0.07 0.00 -0.16 0.00 0.00 57.16 56.07 2ahq n GLU 14 Cb 0.60 -1.98 -0.02 0.00 1.43 0.00 0.00 31.44 31.48 2ahq n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ahq n GLY 15 N 2.45 0.32 3.31 -1.84 0.00 -1.26 -4.83 105.19 103.33 2ahq n GLY 15 Ca 0.42 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 2ahq n GLY 15 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ahq n LEU 16 N -1.78 -1.73 -4.89 0.99 -0.00 -1.26 -4.95 117.00 103.37 2ahq n LEU 16 Ca -0.07 0.32 -0.29 0.00 -0.00 0.00 0.00 56.01 55.96 2ahq n LEU 16 Cb 0.31 -1.08 -0.02 0.00 -0.00 0.00 0.00 43.42 42.63 2ahq n LEU 16 CO 0.10 -4.25 0.44 0.42 -0.00 0.00 0.00 177.39 174.10 2ahq s THR 17 N -2.25 4.84 0.48 1.47 -4.23 -1.26 -4.93 115.64 109.77 2ahq s THR 17 Ca 0.53 0.44 0.19 0.00 -1.18 0.00 0.00 61.69 61.67 2ahq s THR 17 Cb -0.22 -3.79 0.36 0.00 1.34 0.00 0.00 72.50 70.20 2ahq s THR 17 CO 0.71 -0.67 1.97 0.06 -0.54 0.00 0.00 174.62 176.16 2ahq h GLN 18 N 0.81 0.21 -0.23 3.99 -0.00 -2.00 0.11 115.11 118.00 2ahq h GLN 18 Ca -0.47 -0.01 -0.17 0.00 -0.00 0.00 0.00 58.65 58.00 2ahq h GLN 18 Cb 1.19 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.48 28.62 2ahq h GLN 18 CO 0.63 0.14 -0.53 0.78 -0.00 0.00 0.00 178.83 179.84 2ahq h GLY 19 N 0.22 0.73 1.15 0.06 0.00 -2.00 -2.71 103.07 100.51 2ahq h GLY 19 Ca 0.29 -0.84 -0.10 0.00 0.00 0.00 0.00 47.33 46.67 2ahq h GLY 19 CO -0.05 0.75 -0.06 0.83 0.00 0.00 0.00 176.54 178.01 2ahq h GLU 20 N 0.52 1.00 -0.90 4.80 4.39 -1.21 -2.68 114.58 120.50 2ahq h GLU 20 Ca 0.01 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 2ahq h GLU 20 Cb 1.10 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.62 2ahq h GLU 20 CO 0.11 1.02 0.52 1.25 -1.16 0.00 0.00 179.01 180.75 2ahq h LEU 21 N 0.91 1.09 0.12 1.33 7.12 -1.16 -0.13 115.31 124.59 2ahq h LEU 21 Ca 0.15 -0.08 0.01 0.00 0.13 0.00 0.00 57.88 58.09 2ahq h LEU 21 Cb 0.61 -0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 40.42 2ahq h LEU 21 CO 0.04 0.85 -0.43 -0.03 -0.13 0.00 0.00 178.44 178.74 2ahq h MET 22 N 1.24 -0.61 0.00 1.25 4.05 -1.15 0.83 114.93 120.54 2ahq h MET 22 Ca 0.32 0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.77 2ahq h MET 22 Cb -0.02 0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.92 2ahq h MET 22 CO -0.06 -0.41 -0.08 -0.22 0.23 0.00 0.00 176.91 176.38 2ahq h LYS 23 N -0.63 0.00 -0.31 0.39 3.64 -1.44 0.68 116.57 118.90 2ahq h LYS 23 Ca -0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2ahq h LYS 23 Cb 0.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2ahq h LYS 23 CO -0.22 0.08 0.00 -0.07 -2.27 0.00 0.00 179.45 176.97 2ahq h LEU 24 N 0.00 0.53 -0.20 5.20 3.38 0.77 0.92 115.31 125.92 2ahq h LEU 24 Ca -0.00 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 2ahq h LEU 24 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2ahq h LEU 24 CO 0.01 0.71 -0.09 0.40 0.09 0.00 0.00 178.44 179.56 2ahq h ILE 25 N 0.34 1.30 -0.24 1.22 2.04 0.16 -2.80 117.51 119.53 2ahq h ILE 25 Ca 0.09 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 64.76 2ahq h ILE 25 Cb 0.43 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 2ahq h ILE 25 CO 0.02 0.34 -0.09 0.50 0.00 0.00 0.00 178.15 178.92 2ahq h LYS 26 N 0.10 0.39 -1.00 2.37 3.64 -0.82 -2.17 116.57 119.09 2ahq h LYS 26 Ca 0.04 -0.09 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 2ahq h LYS 26 Cb 0.57 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.27 2ahq h LYS 26 CO 0.03 0.49 0.64 0.93 -2.27 0.00 0.00 179.45 179.27 2ahq h GLU 27 N 0.37 1.10 -0.43 1.90 5.08 0.11 0.65 114.58 123.36 2ahq h GLU 27 Ca 0.07 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 2ahq h GLU 27 Cb 0.40 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2ahq h GLU 27 CO 0.02 0.73 -0.20 0.82 -1.00 0.00 0.00 179.01 179.37 2ahq h ILE 28 N 1.13 1.27 -0.00 3.13 2.04 -1.17 -1.62 117.51 122.29 2ahq h ILE 28 Ca 0.44 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2ahq h ILE 28 Cb 0.23 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2ahq h ILE 28 CO -0.19 0.45 -0.00 0.52 0.00 0.00 0.00 178.15 178.93 2ahq n VAL 29 N -4.12 0.00 0.16 1.67 0.31 -0.20 -3.34 118.33 112.81 2ahq n VAL 29 Ca 0.00 -0.07 0.01 0.00 -0.01 0.00 0.00 64.34 64.28 2ahq n VAL 29 Cb 0.43 -0.21 0.26 0.00 -0.91 0.00 0.00 33.84 33.41 2ahq n VAL 29 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2ahq h GLU 30 N 0.67 0.00 -1.06 5.55 4.22 0.13 -3.26 114.58 120.83 2ahq h GLU 30 Ca 0.00 0.00 -0.41 0.00 0.08 0.00 0.00 59.36 59.03 2ahq h GLU 30 Cb 0.15 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.00 2ahq h GLU 30 CO 0.00 0.50 -1.07 0.09 -2.18 0.00 0.00 179.01 176.35 2ahq n ASN 31 N -3.80 2.35 -3.89 1.04 3.02 -1.21 -5.09 115.26 107.69 2ahq n ASN 31 Ca -0.01 -2.92 0.00 0.00 -0.03 0.00 0.00 54.58 51.62 2ahq n ASN 31 Cb 0.54 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 2ahq n ASN 31 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2ahq n GLU 32 N -0.24 1.41 -3.45 3.52 0.28 -1.23 -5.08 120.64 115.84 2ahq n GLU 32 Ca 0.17 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.04 2ahq n GLU 32 Cb 0.79 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.63 2ahq n GLU 32 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2ahq s ASP 33 N -1.89 -0.58 0.00 -1.84 2.15 0.10 -4.97 116.67 109.64 2ahq s ASP 33 Ca 0.00 0.19 -0.00 0.00 0.43 0.00 0.00 52.55 53.17 2ahq s ASP 33 Cb 0.00 0.57 -0.00 0.00 -0.30 0.00 0.00 42.92 43.19 2ahq s ASP 33 CO 0.00 -0.86 0.84 0.11 -0.17 0.00 0.00 175.17 175.09 2ahq h LYS 34 N 2.26 -0.00 0.00 4.34 6.56 -1.98 -1.85 116.57 125.90 2ahq h LYS 34 Ca -0.32 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 2ahq h LYS 34 Cb 1.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 2ahq h LYS 34 CO 0.38 -0.00 0.00 0.54 -2.06 0.00 0.00 179.45 178.31 2ahq n ARG 35 N -2.01 0.29 -3.46 3.15 1.74 -1.26 -3.87 116.66 111.24 2ahq n ARG 35 Ca -0.00 0.09 -0.27 0.00 -0.77 0.00 0.00 57.85 56.90 2ahq n ARG 35 Cb 0.00 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.84 2ahq n ARG 35 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2ahq n LYS 36 N -1.29 0.56 0.00 5.56 4.01 -1.16 -5.12 118.16 120.73 2ahq n LYS 36 Ca 0.10 -3.43 0.00 0.00 -0.51 0.00 0.00 58.31 54.47 2ahq n LYS 36 Cb 0.17 -1.74 0.00 0.00 -0.51 0.00 0.00 35.03 32.95 2ahq n LYS 36 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2ahq n PRO 37 N 2.51 1.12 -2.75 1.97 -0.04 -0.71 0.03 135.00 137.14 2ahq n PRO 37 Ca 0.27 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.64 2ahq n PRO 37 Cb 0.46 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.00 2ahq n PRO 37 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ahq n TYR 38 N -0.23 -1.45 -1.43 0.54 4.01 -1.26 -4.59 117.16 112.74 2ahq n TYR 38 Ca 0.00 -2.36 -0.29 0.00 -0.16 0.00 0.00 57.90 55.09 2ahq n TYR 38 Cb 0.00 0.95 0.14 0.00 -0.31 0.00 0.00 39.34 40.12 2ahq n TYR 38 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2ahq s SER 39 N -1.78 3.33 0.44 7.72 1.04 -1.26 -4.35 113.70 118.84 2ahq s SER 39 Ca 0.25 1.06 0.30 0.00 0.48 0.00 0.00 55.95 58.03 2ahq s SER 39 Cb 0.39 -1.67 1.40 0.00 0.10 0.00 0.00 66.02 66.24 2ahq s SER 39 CO -0.05 -2.67 1.64 -2.24 0.98 0.00 0.00 173.24 170.90 2ahq h ASP 40 N -1.58 0.25 0.87 7.02 2.03 -1.97 0.43 116.42 123.47 2ahq h ASP 40 Ca -0.51 0.12 -0.04 0.00 -0.73 0.00 0.00 57.03 55.87 2ahq h ASP 40 Cb 1.33 0.11 0.01 0.00 -0.83 0.00 0.00 39.33 39.94 2ahq h ASP 40 CO 0.60 -0.14 -0.42 -0.61 -1.03 0.00 0.00 179.24 177.64 2ahq h GLN 41 N 0.11 -1.13 0.56 4.15 5.75 -1.96 0.31 115.11 122.91 2ahq h GLN 41 Ca 0.79 0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 59.34 2ahq h GLN 41 Cb 2.49 0.26 0.00 0.00 1.07 0.00 0.00 27.48 31.30 2ahq h GLN 41 CO -0.38 -0.75 -0.29 1.49 -2.65 0.00 0.00 178.83 176.25 2ahq h GLU 42 N -1.19 -0.75 -0.84 1.69 4.57 -0.57 0.19 114.58 117.67 2ahq h GLU 42 Ca -0.12 0.05 0.18 0.00 -1.18 0.00 0.00 59.36 58.29 2ahq h GLU 42 Cb 0.90 0.17 -0.16 0.00 -0.16 0.00 0.00 28.75 29.50 2ahq h GLU 42 CO 0.20 -0.50 -0.14 0.82 -1.18 0.00 0.00 179.01 178.21 2ahq h ILE 43 N -0.78 0.18 -0.97 2.32 2.04 -0.93 1.64 117.51 121.01 2ahq h ILE 43 Ca -0.08 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.82 2ahq h ILE 43 Cb 0.60 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 2ahq h ILE 43 CO 0.11 0.00 0.64 0.00 0.00 0.00 0.00 178.15 178.91 2ahq h ALA 44 N 1.83 1.38 0.00 1.87 0.00 -0.17 0.26 119.26 124.43 2ahq h ALA 44 Ca 0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 2ahq h ALA 44 Cb 0.71 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ahq h ALA 44 CO -0.84 0.52 -0.10 -0.91 0.00 0.00 0.00 179.25 177.93 2ahq h ASN 45 N 1.22 0.00 -0.32 0.00 2.35 0.53 -2.65 115.58 116.70 2ahq h ASN 45 Ca 0.39 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.10 2ahq h ASN 45 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2ahq h ASN 45 CO -0.13 0.10 0.02 0.40 -1.65 0.00 0.00 177.43 176.17 2ahq h ILE 46 N 0.00 1.25 -0.81 2.81 2.04 0.35 -2.52 117.51 120.63 2ahq h ILE 46 Ca -0.00 -0.90 0.10 0.00 1.00 0.00 0.00 64.86 65.06 2ahq h ILE 46 Cb 0.52 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 2ahq h ILE 46 CO 0.01 0.29 0.53 0.17 0.00 0.00 0.00 178.15 179.15 2ahq h LEU 47 N 0.37 0.68 -2.45 1.44 8.10 -1.13 0.51 115.31 122.83 2ahq h LEU 47 Ca 0.09 0.02 0.01 0.00 0.11 0.00 0.00 57.88 58.11 2ahq h LEU 47 Cb 0.40 -0.12 -0.00 0.00 -0.44 0.00 0.00 40.66 40.50 2ahq h LEU 47 CO 0.01 0.40 0.17 0.11 -4.11 0.00 0.00 178.44 175.03 2ahq h LYS 48 N 0.75 0.00 0.00 0.17 1.57 -1.43 0.24 116.57 117.87 2ahq h LYS 48 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2ahq h LYS 48 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2ahq h LYS 48 CO -0.14 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.13 2ahq n GLU 49 N -3.15 0.19 -3.07 3.15 -0.58 0.18 -4.77 120.64 112.59 2ahq n GLU 49 Ca -0.02 0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.65 2ahq n GLU 49 Cb 0.24 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.66 2ahq n GLU 49 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2ahq n LYS 50 N -1.07 -4.22 -0.00 3.49 0.00 0.83 -4.92 118.16 112.28 2ahq n LYS 50 Ca 0.05 0.44 0.03 0.00 0.00 0.00 0.00 58.31 58.83 2ahq n LYS 50 Cb 0.03 -4.31 -0.04 0.00 0.00 0.00 0.00 35.03 30.71 2ahq n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ahq n GLY 51 N -1.30 -0.19 3.74 3.14 0.00 -1.19 -5.05 105.19 104.34 2ahq n GLY 51 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 2ahq n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ahq s PHE 52 N -2.31 -0.19 0.00 1.61 0.08 -1.25 -4.73 117.98 111.19 2ahq s PHE 52 Ca -0.02 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.90 2ahq s PHE 52 Cb 0.04 0.64 0.00 0.00 -0.57 0.00 0.00 43.02 43.13 2ahq s PHE 52 CO 0.24 -0.90 0.00 1.17 -0.10 0.00 0.00 175.22 175.63 2ahq n LYS 53 N -0.44 0.00 -0.73 0.44 4.81 -1.26 -4.63 118.16 116.35 2ahq n LYS 53 Ca -0.06 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.48 2ahq n LYS 53 Cb 0.61 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.63 2ahq n LYS 53 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2ahq n VAL 54 N 0.00 0.00 0.00 3.15 0.31 -1.26 -4.75 118.33 115.78 2ahq n VAL 54 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2ahq n VAL 54 Cb 0.00 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 2ahq n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ahq n ALA 55 N -1.22 0.00 -0.23 3.52 0.00 -1.26 -4.92 120.51 116.39 2ahq n ALA 55 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.53 2ahq n ALA 55 Cb 0.33 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.95 2ahq n ALA 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ahq n ARG 56 N -0.21 -0.06 0.13 0.00 1.74 -1.26 0.23 116.66 117.23 2ahq n ARG 56 Ca 0.00 1.01 -0.14 0.00 -0.77 0.00 0.00 57.85 57.96 2ahq n ARG 56 Cb 0.00 -1.58 -0.08 0.00 -1.02 0.00 0.00 32.46 29.78 2ahq n ARG 56 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ahq h ARG 57 N 0.00 -0.26 -0.15 5.56 2.47 -1.98 0.46 114.38 120.48 2ahq h ARG 57 Ca 0.38 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 2ahq h ARG 57 Cb 0.73 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.10 2ahq h ARG 57 CO -0.65 -0.12 0.09 1.15 0.56 0.00 0.00 179.97 181.01 2ahq h THR 58 N -0.34 1.04 -0.42 2.04 2.02 0.24 -1.11 112.91 116.39 2ahq h THR 58 Ca -0.03 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.09 2ahq h THR 58 Cb 0.26 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 2ahq h THR 58 CO 0.05 0.04 0.22 0.58 0.37 0.00 0.00 175.52 176.77 2ahq h VAL 59 N 0.19 0.98 -0.76 3.16 2.07 0.92 0.67 116.25 123.49 2ahq h VAL 59 Ca 0.05 -0.15 0.12 0.00 0.82 0.00 0.00 66.70 67.54 2ahq h VAL 59 Cb -0.01 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 2ahq h VAL 59 CO -0.01 0.08 0.36 0.00 0.02 0.00 0.00 177.57 178.02 2ahq h ALA 60 N 1.22 1.08 -0.56 1.67 0.00 0.32 0.89 119.26 123.88 2ahq h ALA 60 Ca 0.18 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 2ahq h ALA 60 Cb 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2ahq h ALA 60 CO -0.12 -0.09 0.18 0.87 0.00 0.00 0.00 179.25 180.09 2ahq h LYS 61 N 0.58 0.87 -0.64 0.00 1.57 -0.10 -2.75 116.57 116.10 2ahq h LYS 61 Ca 0.39 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.91 2ahq h LYS 61 Cb 0.50 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 2ahq h LYS 61 CO -0.32 0.79 0.10 1.88 -0.57 0.00 0.00 179.45 181.33 2ahq h TYR 62 N 0.79 1.13 -0.98 -1.35 0.05 0.14 -2.73 116.97 114.01 2ahq h TYR 62 Ca 0.18 -0.16 0.26 0.00 0.05 0.00 0.00 58.73 59.06 2ahq h TYR 62 Cb 0.28 -0.31 -0.13 0.00 1.01 0.00 0.00 36.73 37.58 2ahq h TYR 62 CO 0.02 0.95 0.54 -0.09 -1.05 0.00 0.00 178.16 178.53 2ahq h ARG 63 N 0.97 0.46 -0.49 4.88 2.43 0.99 0.73 114.38 124.35 2ahq h ARG 63 Ca 0.19 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.21 2ahq h ARG 63 Cb 0.43 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2ahq h ARG 63 CO 0.01 0.30 -0.21 1.49 -1.51 0.00 0.00 179.97 180.06 2ahq h GLU 64 N 0.47 1.01 -0.14 0.20 4.81 -1.41 -1.08 114.58 118.43 2ahq h GLU 64 Ca 0.65 -0.43 -0.11 0.00 -0.13 0.00 0.00 59.36 59.35 2ahq h GLU 64 Cb 1.30 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 2ahq h GLU 64 CO -0.52 1.11 -0.39 0.52 -0.73 0.00 0.00 179.01 179.00 2ahq h MET 65 N 0.87 0.31 -1.72 1.92 2.86 0.22 -3.40 114.93 115.99 2ahq h MET 65 Ca 0.11 -0.14 -0.21 0.00 -2.06 0.00 0.00 59.70 57.40 2ahq h MET 65 Cb 0.79 -0.01 -0.28 0.00 0.06 0.00 0.00 31.60 32.16 2ahq h MET 65 CO 0.07 0.65 -0.56 -0.48 1.06 0.00 0.00 176.91 177.65 2ahq s LEU 66 N -8.34 -0.70 0.00 1.22 2.34 0.20 -5.11 118.68 108.29 2ahq s LEU 66 Ca -0.05 -0.61 0.00 0.00 0.06 0.00 0.00 54.13 53.53 2ahq s LEU 66 Cb 0.13 1.05 0.00 0.00 -0.56 0.00 0.00 46.19 46.81 2ahq s LEU 66 CO 0.78 -0.33 0.00 0.61 -1.06 0.00 0.00 176.35 176.35