#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d54 s PRO 2 N 0.00 2.23 0.28 3.17 0.04 -1.25 -4.69 135.00 134.78 3d54 s PRO 2 Ca 0.00 -2.09 -0.04 0.00 0.04 0.00 0.00 61.00 58.91 3d54 s PRO 2 Cb 0.00 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 3d54 s PRO 2 CO 0.00 -0.67 0.53 -0.48 0.04 0.00 0.00 177.00 176.42 3d54 s LEU 3 N -4.29 4.08 -0.29 -3.56 2.34 -1.26 -3.58 118.68 112.11 3d54 s LEU 3 Ca 0.31 0.66 0.04 0.00 0.06 0.00 0.00 54.13 55.19 3d54 s LEU 3 Cb -0.02 -3.47 0.19 0.00 -0.56 0.00 0.00 46.19 42.33 3d54 s LEU 3 CO 0.20 -0.17 0.53 -0.36 -1.06 0.00 0.00 176.35 175.49 3d54 s PHE 4 N -2.06 -1.58 0.21 3.48 0.40 -0.61 -4.96 117.98 112.87 3d54 s PHE 4 Ca 0.43 0.92 -0.26 0.00 -0.60 0.00 0.00 56.93 57.42 3d54 s PHE 4 Cb -0.11 0.20 -0.08 0.00 0.51 0.00 0.00 43.02 43.54 3d54 s PHE 4 CO 0.30 -1.03 0.83 0.15 0.70 0.00 0.00 175.22 176.17 3d54 s LYS 5 N 2.75 4.62 0.21 0.44 1.02 -1.26 -1.15 119.74 126.37 3d54 s LYS 5 Ca 0.11 1.24 -0.02 0.00 0.02 0.00 0.00 55.97 57.32 3d54 s LYS 5 Cb -0.11 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 3d54 s LYS 5 CO -0.26 0.51 0.18 -0.06 -0.92 0.00 0.00 175.35 174.79 3d54 s PHE 6 N -1.25 1.11 -0.19 3.18 0.08 -0.66 -2.78 117.98 117.48 3d54 s PHE 6 Ca 0.39 -1.33 -0.07 0.00 0.12 0.00 0.00 56.93 56.04 3d54 s PHE 6 Cb -0.23 -0.49 0.09 0.00 -0.57 0.00 0.00 43.02 41.82 3d54 s PHE 6 CO 0.27 -0.70 0.42 0.00 -0.10 0.00 0.00 175.22 175.11 3d54 s ALA 7 N -4.09 -1.14 -0.14 5.36 0.00 -0.72 -2.58 121.76 118.45 3d54 s ALA 7 Ca 0.37 1.51 -0.07 0.00 0.00 0.00 0.00 51.96 53.78 3d54 s ALA 7 Cb 0.06 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 3d54 s ALA 7 CO 0.13 -0.68 0.11 0.42 0.00 0.00 0.00 175.76 175.74 3d54 s ILE 8 N 2.42 5.25 -0.42 0.00 1.01 0.11 -1.80 121.20 127.78 3d54 s ILE 8 Ca -0.03 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.75 3d54 s ILE 8 Cb -0.11 -3.31 0.11 0.00 0.01 0.00 0.00 42.46 39.16 3d54 s ILE 8 CO -0.13 0.57 0.18 -0.62 0.00 0.00 0.00 174.94 174.93 3d54 s ASP 9 N -0.59 4.93 0.26 3.58 -1.08 -0.89 -1.38 116.67 121.52 3d54 s ASP 9 Ca 0.12 -2.31 -0.09 0.00 -0.52 0.00 0.00 52.55 49.75 3d54 s ASP 9 Cb -0.12 -1.73 -0.07 0.00 -1.46 0.00 0.00 42.92 39.55 3d54 s ASP 9 CO 0.02 -0.42 0.59 -0.69 0.52 0.00 0.00 175.17 175.19 3d54 s VAL 10 N 0.72 4.92 0.07 1.11 1.01 -0.01 -2.38 120.40 125.84 3d54 s VAL 10 Ca 0.11 0.44 -0.26 0.00 0.00 0.00 0.00 61.98 62.28 3d54 s VAL 10 Cb -0.21 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.60 3d54 s VAL 10 CO -0.05 -0.17 0.70 -1.58 0.00 0.00 0.00 175.10 174.00 3d54 s GLN 11 N -3.07 1.11 0.35 2.72 2.00 -0.71 -2.87 119.66 119.19 3d54 s GLN 11 Ca 0.48 -0.29 -0.26 0.00 -2.00 0.00 0.00 55.36 53.28 3d54 s GLN 11 Cb -0.11 0.51 -0.09 0.00 0.80 0.00 0.00 33.01 34.12 3d54 s GLN 11 CO 0.23 -0.46 1.02 0.71 -0.50 0.00 0.00 175.29 176.29 3d54 s TYR 12 N -3.10 3.48 1.00 1.67 1.51 -1.26 -0.38 117.35 120.27 3d54 s TYR 12 Ca 0.00 1.71 -0.12 0.00 -1.01 0.00 0.00 57.07 57.65 3d54 s TYR 12 Cb -0.01 -3.08 0.14 0.00 -0.11 0.00 0.00 41.96 38.90 3d54 s TYR 12 CO -0.08 -0.31 0.80 0.54 -1.11 0.00 0.00 175.55 175.39 3d54 n ARG 13 N 0.39 -0.93 -0.25 -0.62 1.74 -0.41 -4.75 116.66 111.84 3d54 n ARG 13 Ca 0.03 -0.22 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 3d54 n ARG 13 Cb 0.49 -2.12 0.12 0.00 -1.02 0.00 0.00 32.46 29.93 3d54 n ARG 13 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3d54 h SER 14 N -1.98 0.55 1.63 0.55 0.02 -1.95 -2.83 113.55 109.55 3d54 h SER 14 Ca -0.48 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.45 3d54 h SER 14 Cb 1.29 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 3d54 h SER 14 CO 0.40 0.34 -0.32 -0.55 -1.14 0.00 0.00 176.83 175.56 3d54 h ASN 15 N 0.68 0.00 -3.37 3.07 -1.07 -1.99 -3.44 115.58 109.47 3d54 h ASN 15 Ca 0.33 0.00 -0.59 0.00 0.07 0.00 0.00 56.30 56.11 3d54 h ASN 15 Cb 0.27 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 36.43 3d54 h ASN 15 CO -0.22 0.32 0.26 -0.69 0.07 0.00 0.00 177.43 177.16 3d54 s VAL 16 N -3.08 4.95 0.07 6.14 1.01 -1.07 -5.04 120.40 123.38 3d54 s VAL 16 Ca 0.05 1.39 -0.28 0.00 0.00 0.00 0.00 61.98 63.13 3d54 s VAL 16 Cb 0.07 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 3d54 s VAL 16 CO 0.71 0.06 0.88 0.00 0.00 0.00 0.00 175.10 176.76 3d54 s ARG 17 N 2.11 4.61 -0.38 2.72 1.04 -1.26 -4.64 118.95 123.15 3d54 s ARG 17 Ca 0.33 1.29 -0.08 0.00 -1.04 0.00 0.00 55.73 56.23 3d54 s ARG 17 Cb -0.16 -3.38 0.05 0.00 -2.04 0.00 0.00 34.95 29.42 3d54 s ARG 17 CO 0.11 0.22 0.18 0.34 -0.04 0.00 0.00 175.30 176.10 3d54 s ASP 18 N 0.07 5.51 0.37 -2.89 2.15 -1.26 -4.97 116.67 115.66 3d54 s ASP 18 Ca 0.44 -1.26 0.14 0.00 0.43 0.00 0.00 52.55 52.30 3d54 s ASP 18 Cb -0.22 -1.94 0.74 0.00 -0.30 0.00 0.00 42.92 41.20 3d54 s ASP 18 CO 0.27 -0.42 1.82 1.55 -0.17 0.00 0.00 175.17 178.22 3d54 h PRO 19 N 8.32 0.00 -0.03 4.34 0.13 -1.97 -2.02 132.00 140.77 3d54 h PRO 19 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3d54 h PRO 19 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3d54 h PRO 19 CO 0.67 0.37 0.01 0.00 -0.23 0.00 0.00 178.00 178.83 3d54 h ARG 20 N 0.00 0.03 0.00 0.86 3.08 -1.97 0.72 114.38 117.10 3d54 h ARG 20 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3d54 h ARG 20 Cb 0.70 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3d54 h ARG 20 CO 0.05 0.02 0.00 0.78 -1.07 0.00 0.00 179.97 179.75 3d54 h GLY 21 N 0.03 0.00 1.29 0.04 0.00 -1.86 -2.99 103.07 99.58 3d54 h GLY 21 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 3d54 h GLY 21 CO -0.01 0.00 -1.09 -2.09 0.00 0.00 0.00 176.54 173.35 3d54 h GLU 22 N 0.00 0.00 0.00 4.80 4.81 -0.62 -2.03 114.58 121.53 3d54 h GLU 22 Ca 0.00 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 3d54 h GLU 22 Cb 0.71 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 3d54 h GLU 22 CO 0.00 0.31 -1.05 1.15 -0.73 0.00 0.00 179.01 178.70 3d54 h THR 23 N 0.00 1.65 0.06 0.32 2.02 -0.75 -2.48 112.91 113.72 3d54 h THR 23 Ca -0.10 -3.36 -0.24 0.00 0.77 0.00 0.00 66.41 63.48 3d54 h THR 23 Cb 1.46 2.81 -0.02 0.00 -1.74 0.00 0.00 68.15 70.66 3d54 h THR 23 CO 0.05 0.94 -1.14 0.40 0.37 0.00 0.00 175.52 176.13 3d54 h ILE 24 N 0.00 1.58 -0.53 3.11 5.03 -1.58 -2.52 117.51 122.60 3d54 h ILE 24 Ca -0.03 -3.23 -0.09 0.00 -0.12 0.00 0.00 64.86 61.39 3d54 h ILE 24 Cb 1.78 2.87 -0.02 0.00 -3.03 0.00 0.00 36.82 38.42 3d54 h ILE 24 CO 0.13 0.92 -0.02 -0.08 -0.68 0.00 0.00 178.15 178.42 3d54 h GLU 25 N 0.03 0.91 0.00 2.37 4.81 -1.39 -0.97 114.58 120.33 3d54 h GLU 25 Ca -0.08 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3d54 h GLU 25 Cb 1.87 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.16 3d54 h GLU 25 CO 0.16 0.91 0.00 0.00 -0.73 0.00 0.00 179.01 179.35 3d54 h ARG 26 N 0.84 0.00 0.06 1.92 3.08 -1.39 -2.97 114.38 115.91 3d54 h ARG 26 Ca 0.15 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 3d54 h ARG 26 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 3d54 h ARG 26 CO 0.03 0.00 -0.72 0.28 -1.07 0.00 0.00 179.97 178.49 3d54 h VAL 27 N 0.00 1.41 0.00 2.04 2.07 -0.90 -2.95 116.25 117.92 3d54 h VAL 27 Ca 0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 3d54 h VAL 27 Cb 0.75 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 3d54 h VAL 27 CO 0.00 0.60 0.00 0.18 0.02 0.00 0.00 177.57 178.37 3d54 n LEU 28 N -4.32 0.36 -0.04 2.57 4.77 -0.45 -1.07 117.00 118.82 3d54 n LEU 28 Ca -0.18 0.61 -0.02 0.00 -0.03 0.00 0.00 56.01 56.39 3d54 n LEU 28 Cb 0.68 -0.59 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 3d54 n LEU 28 CO 0.36 -0.53 -0.82 -1.14 -1.33 0.00 0.00 177.39 173.93 3d54 n ARG 29 N -1.92 1.48 -0.08 3.23 0.63 -1.13 -1.36 116.66 117.51 3d54 n ARG 29 Ca 0.02 -0.04 -0.12 0.00 -0.92 0.00 0.00 57.85 56.78 3d54 n ARG 29 Cb 0.15 -1.31 -0.07 0.00 0.45 0.00 0.00 32.46 31.67 3d54 n ARG 29 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3d54 n GLU 30 N -2.29 0.40 0.04 -0.14 1.02 -1.11 -3.66 120.64 114.89 3d54 n GLU 30 Ca -0.14 0.10 -0.18 0.00 -0.02 0.00 0.00 57.16 56.92 3d54 n GLU 30 Cb 0.72 -1.30 -0.14 0.00 -0.02 0.00 0.00 31.44 30.69 3d54 n GLU 30 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3d54 h GLU 31 N -0.06 0.25 0.00 3.49 4.57 -1.28 -3.36 114.58 118.19 3d54 h GLU 31 Ca -0.36 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 57.39 3d54 h GLU 31 Cb 1.54 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 30.29 3d54 h GLU 31 CO -0.08 1.10 -1.15 1.63 -1.18 0.00 0.00 179.01 179.33 3d54 n LYS 32 N -3.43 0.10 -1.50 1.92 4.76 -0.74 -5.00 118.16 114.26 3d54 n LYS 32 Ca -0.22 -0.03 -0.17 0.00 -2.87 0.00 0.00 58.31 55.01 3d54 n LYS 32 Cb 1.05 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.66 3d54 n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d54 n GLY 33 N 1.46 1.65 3.70 0.72 0.00 -1.20 -4.93 105.19 106.59 3d54 n GLY 33 Ca 0.03 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3d54 n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d54 s LEU 34 N -3.93 4.26 -0.95 0.99 1.43 -0.46 -4.96 118.68 115.06 3d54 s LEU 34 Ca 0.00 1.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.98 3d54 s LEU 34 Cb 0.00 -3.08 -0.10 0.00 0.03 0.00 0.00 46.19 43.04 3d54 s LEU 34 CO 0.00 -0.19 2.08 -2.16 0.23 0.00 0.00 176.35 176.31 3d54 s PRO 35 N 1.22 2.11 -0.25 1.29 0.04 -1.26 -4.19 135.00 133.96 3d54 s PRO 35 Ca 0.36 -0.29 0.01 0.00 0.04 0.00 0.00 61.00 61.13 3d54 s PRO 35 Cb -0.17 -5.02 0.07 0.00 0.04 0.00 0.00 34.50 29.42 3d54 s PRO 35 CO 0.16 -4.06 -0.05 0.08 0.04 0.00 0.00 177.00 173.17 3d54 s VAL 36 N 12.41 1.68 -0.54 -0.36 1.01 -1.26 -5.08 120.40 128.25 3d54 s VAL 36 Ca 0.77 -1.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 3d54 s VAL 36 Cb -0.07 -1.95 0.10 0.00 0.00 0.00 0.00 36.38 34.46 3d54 s VAL 36 CO 0.07 -0.15 0.58 -0.75 0.00 0.00 0.00 175.10 174.84 3d54 s LYS 37 N 1.31 3.03 0.00 2.72 2.20 -1.26 -4.85 119.74 122.89 3d54 s LYS 37 Ca -0.04 -1.37 0.00 0.00 -0.36 0.00 0.00 55.97 54.20 3d54 s LYS 37 Cb -0.19 -4.22 0.00 0.00 -1.51 0.00 0.00 37.83 31.91 3d54 s LYS 37 CO -0.07 -1.33 0.00 1.63 -0.36 0.00 0.00 175.35 175.22 3d54 n LYS 38 N 5.78 0.00 -3.33 4.03 4.76 -1.26 -5.08 118.16 123.06 3d54 n LYS 38 Ca -0.11 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.04 3d54 n LYS 38 Cb 0.42 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.58 3d54 n LYS 38 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3d54 s LEU 39 N 0.00 4.07 0.01 -0.35 0.20 -1.26 -5.10 118.68 116.25 3d54 s LEU 39 Ca 0.00 0.76 0.05 0.00 0.69 0.00 0.00 54.13 55.63 3d54 s LEU 39 Cb 0.00 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.17 3d54 s LEU 39 CO 0.00 -0.18 -0.15 -0.13 -0.29 0.00 0.00 176.35 175.60 3d54 s ARG 40 N -3.43 1.11 -0.21 1.98 0.52 -1.26 -4.69 118.95 112.97 3d54 s ARG 40 Ca 0.45 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 55.02 3d54 s ARG 40 Cb -0.11 -1.11 0.05 0.00 0.52 0.00 0.00 34.95 34.31 3d54 s ARG 40 CO 0.29 0.29 -0.08 -1.17 0.02 0.00 0.00 175.30 174.64 3d54 s LEU 41 N -0.71 2.39 0.00 2.53 0.20 -1.26 -4.99 118.68 116.83 3d54 s LEU 41 Ca 0.04 -1.00 0.00 0.00 0.69 0.00 0.00 54.13 53.87 3d54 s LEU 41 Cb -0.07 -1.20 0.00 0.00 -0.43 0.00 0.00 46.19 44.49 3d54 s LEU 41 CO 0.00 -0.18 0.00 0.61 -0.29 0.00 0.00 176.35 176.49 3d54 n GLY 42 N 4.68 6.39 3.55 7.98 0.00 -1.26 -4.81 105.19 121.72 3d54 n GLY 42 Ca -0.13 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 3d54 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d54 s LYS 43 N 1.05 2.25 -0.21 1.61 1.02 -1.14 -4.99 119.74 119.33 3d54 s LYS 43 Ca 0.00 -0.92 -0.00 0.00 0.02 0.00 0.00 55.97 55.07 3d54 s LYS 43 Cb 0.00 -2.34 0.06 0.00 -0.52 0.00 0.00 37.83 35.02 3d54 s LYS 43 CO 0.00 0.55 -0.04 -1.54 -0.92 0.00 0.00 175.35 173.40 3d54 s SER 44 N -1.77 3.47 -0.22 2.83 1.04 -1.26 -0.83 113.70 116.96 3d54 s SER 44 Ca 0.18 -1.01 -0.06 0.00 0.48 0.00 0.00 55.95 55.55 3d54 s SER 44 Cb -0.11 -1.02 -0.02 0.00 0.10 0.00 0.00 66.02 64.97 3d54 s SER 44 CO 0.10 -0.24 0.02 -0.63 0.98 0.00 0.00 173.24 173.47 3d54 s ILE 45 N 1.53 3.96 -0.12 -1.02 1.01 -0.48 -4.91 121.20 121.17 3d54 s ILE 45 Ca -0.04 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 3d54 s ILE 45 Cb -0.18 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 3d54 s ILE 45 CO -0.07 0.40 0.22 -1.00 0.00 0.00 0.00 174.94 174.48 3d54 s HIS 46 N 1.31 3.56 -0.12 3.97 3.76 -1.26 0.09 115.29 126.60 3d54 s HIS 46 Ca 0.04 0.59 -0.17 0.00 -0.15 0.00 0.00 55.06 55.37 3d54 s HIS 46 Cb -0.15 -2.12 0.04 0.00 1.11 0.00 0.00 32.58 31.47 3d54 s HIS 46 CO 0.01 0.55 0.44 -0.48 -0.85 0.00 0.00 174.74 174.41 3d54 s LEU 47 N -0.51 0.30 -0.17 0.89 2.34 -1.07 -5.00 118.68 115.47 3d54 s LEU 47 Ca 0.16 0.69 -0.07 0.00 0.06 0.00 0.00 54.13 54.96 3d54 s LEU 47 Cb -0.13 1.60 -0.04 0.00 -0.56 0.00 0.00 46.19 47.06 3d54 s LEU 47 CO 0.05 -0.28 0.08 -0.70 -1.06 0.00 0.00 176.35 174.43 3d54 s GLU 48 N -0.32 3.88 0.02 1.48 2.12 -1.26 -1.65 118.70 122.97 3d54 s GLU 48 Ca -0.05 -0.29 0.07 0.00 0.36 0.00 0.00 54.97 55.06 3d54 s GLU 48 Cb -0.03 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 3d54 s GLU 48 CO 0.03 0.38 -0.20 0.08 -0.54 0.00 0.00 175.26 175.01 3d54 s VAL 49 N 0.08 2.61 -0.37 3.70 1.01 -0.30 -4.94 120.40 122.20 3d54 s VAL 49 Ca 0.06 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 3d54 s VAL 49 Cb -0.12 -2.05 0.08 0.00 0.00 0.00 0.00 36.38 34.29 3d54 s VAL 49 CO 0.00 0.42 0.13 -0.70 0.00 0.00 0.00 175.10 174.95 3d54 s GLU 50 N -1.18 2.27 0.00 2.72 2.12 -1.26 -1.57 118.70 121.81 3d54 s GLU 50 Ca 0.13 -1.53 0.00 0.00 0.36 0.00 0.00 54.97 53.93 3d54 s GLU 50 Cb -0.10 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 30.83 3d54 s GLU 50 CO 0.03 -0.86 0.00 0.00 -0.54 0.00 0.00 175.26 173.89 3d54 n ALA 51 N 4.66 0.00 -1.05 6.30 0.00 -1.24 -4.96 120.51 124.22 3d54 n ALA 51 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3d54 n ALA 51 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3d54 n ALA 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3d54 n GLU 52 N 0.00 0.00 -2.88 0.00 -0.58 -1.26 -3.83 120.64 112.09 3d54 n GLU 52 Ca 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 3d54 n GLU 52 Cb 0.00 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 30.95 3d54 n GLU 52 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3d54 n ASN 53 N -1.02 1.95 0.15 1.62 3.02 -1.26 -4.76 115.26 114.94 3d54 n ASN 53 Ca 0.00 -2.45 0.00 0.00 -0.03 0.00 0.00 54.58 52.10 3d54 n ASN 53 Cb 0.00 -0.47 0.20 0.00 -0.61 0.00 0.00 39.78 38.90 3d54 n ASN 53 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3d54 h LYS 54 N 0.00 0.00 -0.03 3.52 1.57 -2.00 -3.05 116.57 116.59 3d54 h LYS 54 Ca -0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 3d54 h LYS 54 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 3d54 h LYS 54 CO 0.38 0.57 -0.04 0.93 -0.57 0.00 0.00 179.45 180.72 3d54 h GLU 55 N 0.00 0.08 0.00 3.15 4.39 -2.00 -2.94 114.58 117.25 3d54 h GLU 55 Ca -0.01 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3d54 h GLU 55 Cb 1.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 3d54 h GLU 55 CO 0.07 0.57 -0.19 0.87 -1.16 0.00 0.00 179.01 179.18 3d54 h LYS 56 N -0.42 0.00 -0.11 2.33 1.79 -1.95 -2.97 116.57 115.25 3d54 h LYS 56 Ca 0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 3d54 h LYS 56 Cb 0.56 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.22 3d54 h LYS 56 CO 0.01 0.19 -0.44 0.00 -1.08 0.00 0.00 179.45 178.12 3d54 h ALA 57 N 1.81 0.20 -0.70 3.86 0.00 -1.50 -3.00 119.26 119.92 3d54 h ALA 57 Ca -0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 3d54 h ALA 57 Cb 0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3d54 h ALA 57 CO 0.02 0.34 0.17 -0.92 0.00 0.00 0.00 179.25 178.86 3d54 h TYR 58 N 0.08 1.17 0.00 0.00 5.03 -1.38 -2.43 116.97 119.44 3d54 h TYR 58 Ca -0.02 -0.14 0.00 0.00 2.58 0.00 0.00 58.73 61.15 3d54 h TYR 58 Cb 1.08 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 39.03 3d54 h TYR 58 CO 0.11 0.95 0.00 1.05 -1.32 0.00 0.00 178.16 178.95 3d54 h GLU 59 N 1.06 0.00 -0.06 1.82 4.11 -1.57 -2.70 114.58 117.23 3d54 h GLU 59 Ca 0.22 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.61 3d54 h GLU 59 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3d54 h GLU 59 CO 0.00 0.00 -0.12 0.82 0.07 0.00 0.00 179.01 179.78 3d54 h ILE 60 N 0.00 1.41 -0.54 -1.06 1.08 -1.29 -2.77 117.51 114.35 3d54 h ILE 60 Ca 0.00 -1.41 -0.01 0.00 -0.39 0.00 0.00 64.86 63.04 3d54 h ILE 60 Cb 0.60 2.19 -0.03 0.00 -3.07 0.00 0.00 36.82 36.51 3d54 h ILE 60 CO 0.00 0.39 0.29 0.58 -0.69 0.00 0.00 178.15 178.72 3d54 h VAL 61 N -0.29 1.17 -0.13 1.67 2.07 -1.41 -2.06 116.25 117.27 3d54 h VAL 61 Ca 0.00 -0.43 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 3d54 h VAL 61 Cb 0.70 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3d54 h VAL 61 CO 0.03 0.19 -0.42 0.11 0.02 0.00 0.00 177.57 177.49 3d54 h LYS 62 N 0.75 0.29 0.03 1.57 1.57 -1.46 -2.53 116.57 116.78 3d54 h LYS 62 Ca 0.19 -0.14 -0.24 0.00 -1.87 0.00 0.00 60.65 58.60 3d54 h LYS 62 Cb 0.03 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3d54 h LYS 62 CO -0.03 0.66 -1.01 0.87 -0.57 0.00 0.00 179.45 179.37 3d54 h LYS 63 N 0.24 0.37 0.00 3.15 1.79 -1.09 -2.85 116.57 118.18 3d54 h LYS 63 Ca 0.02 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 3d54 h LYS 63 Cb 0.84 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 3d54 h LYS 63 CO 0.07 1.12 0.00 0.00 -1.08 0.00 0.00 179.45 179.56 3d54 h ALA 64 N 0.71 1.00 0.00 3.86 0.00 -1.28 -2.51 119.26 121.04 3d54 h ALA 64 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3d54 h ALA 64 Cb 1.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 3d54 h ALA 64 CO 0.17 0.00 -0.75 0.00 0.00 0.00 0.00 179.25 178.67 3d54 h GLU 66 N -1.00 0.00 0.00 0.00 5.08 -1.50 -1.14 114.58 116.02 3d54 h GLU 66 Ca -0.15 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3d54 h GLU 66 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 3d54 h GLU 66 CO -0.09 0.02 -2.03 0.39 -1.00 0.00 0.00 179.01 176.30 3d54 n GLU 67 N -3.16 0.66 0.13 2.33 1.02 -0.95 -4.81 120.64 115.86 3d54 n GLU 67 Ca -0.01 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 3d54 n GLU 67 Cb 0.21 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 3d54 n GLU 67 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3d54 n LEU 68 N -2.31 -1.07 -0.04 -4.62 7.94 -1.11 -5.02 117.00 110.77 3d54 n LEU 68 Ca -0.07 0.47 -0.11 0.00 -1.11 0.00 0.00 56.01 55.19 3d54 n LEU 68 Cb 0.63 1.16 -0.04 0.00 0.53 0.00 0.00 43.42 45.70 3d54 n LEU 68 CO 0.45 -0.47 0.89 -0.07 -1.11 0.00 0.00 177.39 177.08 3d54 h LEU 69 N 0.00 0.22 -8.65 -1.96 3.38 -1.54 -3.41 115.31 103.35 3d54 h LEU 69 Ca 0.00 -0.09 -0.65 0.00 0.09 0.00 0.00 57.88 57.22 3d54 h LEU 69 Cb 0.00 -0.06 -0.22 0.00 0.09 0.00 0.00 40.66 40.47 3d54 h LEU 69 CO 0.00 0.25 -0.60 -0.69 0.09 0.00 0.00 178.44 177.49 3d54 s VAL 70 N -5.82 4.45 -0.27 1.22 1.01 -0.45 -5.05 120.40 115.49 3d54 s VAL 70 Ca -0.13 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 3d54 s VAL 70 Cb 0.07 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.32 3d54 s VAL 70 CO 0.69 0.27 1.31 0.21 0.00 0.00 0.00 175.10 177.59 3d54 s ASN 71 N 1.63 6.71 0.42 3.32 3.04 -1.26 -4.41 114.94 124.39 3d54 s ASN 71 Ca 0.06 1.33 0.26 0.00 0.04 0.00 0.00 52.86 54.55 3d54 s ASN 71 Cb -0.16 -2.54 1.39 0.00 -1.54 0.00 0.00 41.25 38.41 3d54 s ASN 71 CO 0.05 -1.02 1.76 1.55 -3.04 0.00 0.00 177.10 176.40 3d54 h PRO 72 N 9.15 0.00 0.00 0.43 0.13 -1.87 -1.55 132.00 138.29 3d54 h PRO 72 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 3d54 h PRO 72 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3d54 h PRO 72 CO 1.02 0.00 -0.24 0.28 -0.23 0.00 0.00 178.00 178.83 3d54 h VAL 73 N 0.00 0.09 0.00 1.56 2.07 -2.01 -3.42 116.25 114.54 3d54 h VAL 73 Ca 0.00 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.44 3d54 h VAL 73 Cb 0.16 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3d54 h VAL 73 CO 0.00 0.03 -1.27 1.33 0.02 0.00 0.00 177.57 177.68 3d54 n VAL 74 N -4.70 0.00 -3.98 2.57 0.24 -1.24 -4.98 118.33 106.24 3d54 n VAL 74 Ca -0.04 -0.27 -0.33 0.00 -2.04 0.00 0.00 64.34 61.66 3d54 n VAL 74 Cb 0.14 0.50 -0.06 0.00 -1.47 0.00 0.00 33.84 32.96 3d54 n VAL 74 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3d54 s GLU 75 N -2.76 3.27 0.24 7.34 2.02 -0.58 -1.29 118.70 126.94 3d54 s GLU 75 Ca -0.01 -0.40 0.11 0.00 0.02 0.00 0.00 54.97 54.69 3d54 s GLU 75 Cb 0.10 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.29 3d54 s GLU 75 CO 0.61 0.66 -0.21 -2.00 0.02 0.00 0.00 175.26 174.34 3d54 s GLU 76 N -1.89 1.59 0.12 1.61 2.12 0.49 -4.56 118.70 118.19 3d54 s GLU 76 Ca 0.26 -1.67 -0.19 0.00 0.36 0.00 0.00 54.97 53.72 3d54 s GLU 76 Cb -0.12 -1.74 0.05 0.00 0.26 0.00 0.00 34.13 32.58 3d54 s GLU 76 CO 0.17 0.34 0.48 1.52 -0.54 0.00 0.00 175.26 177.23 3d54 s TYR 77 N -2.26 -0.34 -0.15 5.30 1.13 -1.26 -1.74 117.35 118.02 3d54 s TYR 77 Ca 0.26 0.13 -0.06 0.00 -1.41 0.00 0.00 57.07 55.98 3d54 s TYR 77 Cb -0.06 0.36 0.07 0.00 -1.10 0.00 0.00 41.96 41.23 3d54 s TYR 77 CO 0.13 -0.73 0.33 -2.00 -2.51 0.00 0.00 175.55 170.77 3d54 s GLU 78 N -3.53 0.26 0.02 -3.49 2.12 -1.00 -5.02 118.70 108.06 3d54 s GLU 78 Ca 0.01 0.80 -0.00 0.00 0.36 0.00 0.00 54.97 56.13 3d54 s GLU 78 Cb 0.01 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.41 3d54 s GLU 78 CO -0.10 -0.23 0.13 0.54 -0.54 0.00 0.00 175.26 175.06 3d54 s VAL 79 N 2.05 5.00 0.05 3.70 0.11 -1.26 -2.09 120.40 127.96 3d54 s VAL 79 Ca -0.04 -0.40 0.03 0.00 -2.93 0.00 0.00 61.98 58.64 3d54 s VAL 79 Cb -0.11 -3.35 -0.03 0.00 -1.53 0.00 0.00 36.38 31.37 3d54 s VAL 79 CO -0.11 0.27 -0.09 0.00 -3.33 0.00 0.00 175.10 171.85 3d54 s ARG 80 N -2.03 0.59 0.84 1.54 1.70 -0.74 -5.02 118.95 115.82 3d54 s ARG 80 Ca 0.27 -0.83 -0.12 0.00 -0.47 0.00 0.00 55.73 54.57 3d54 s ARG 80 Cb -0.12 -0.35 0.10 0.00 -0.57 0.00 0.00 34.95 34.00 3d54 s ARG 80 CO 0.19 0.06 1.19 -1.21 -1.08 0.00 0.00 175.30 174.45 3d54 s GLU 81 N -1.79 1.71 0.00 3.89 2.02 -1.26 -1.75 118.70 121.52 3d54 s GLU 81 Ca -0.07 0.07 0.00 0.00 0.02 0.00 0.00 54.97 54.99 3d54 s GLU 81 Cb -0.09 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.22 3d54 s GLU 81 CO 0.00 -1.76 0.12 1.28 0.02 0.00 0.00 175.26 174.92