#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d54 n PRO 2 N 0.00 3.73 -4.14 3.17 -0.04 -1.18 -4.59 135.00 131.96 3d54 n PRO 2 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 3d54 n PRO 2 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 3d54 n PRO 2 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3d54 s LEU 3 N 0.00 3.71 -0.29 1.53 2.34 -1.26 -3.42 118.68 121.28 3d54 s LEU 3 Ca 0.00 -0.29 0.04 0.00 0.06 0.00 0.00 54.13 53.94 3d54 s LEU 3 Cb 0.00 -2.25 0.20 0.00 -0.56 0.00 0.00 46.19 43.57 3d54 s LEU 3 CO 0.00 -0.01 0.62 -0.36 -1.06 0.00 0.00 176.35 175.54 3d54 s PHE 4 N -2.09 -1.76 0.21 3.48 0.40 -0.57 -4.94 117.98 112.72 3d54 s PHE 4 Ca 0.32 1.10 -0.26 0.00 -0.60 0.00 0.00 56.93 57.50 3d54 s PHE 4 Cb -0.08 0.33 -0.09 0.00 0.51 0.00 0.00 43.02 43.70 3d54 s PHE 4 CO 0.24 -1.02 0.83 0.15 0.70 0.00 0.00 175.22 176.12 3d54 s LYS 5 N 2.84 4.59 0.23 0.44 1.02 -1.26 -1.10 119.74 126.50 3d54 s LYS 5 Ca 0.12 1.22 -0.01 0.00 0.02 0.00 0.00 55.97 57.31 3d54 s LYS 5 Cb -0.10 -3.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 3d54 s LYS 5 CO -0.25 0.49 0.21 -0.06 -0.92 0.00 0.00 175.35 174.82 3d54 s PHE 6 N -1.28 1.16 -0.20 3.18 0.08 -0.68 -2.73 117.98 117.51 3d54 s PHE 6 Ca 0.40 -1.35 -0.08 0.00 0.12 0.00 0.00 56.93 56.02 3d54 s PHE 6 Cb -0.22 -0.47 0.08 0.00 -0.57 0.00 0.00 43.02 41.84 3d54 s PHE 6 CO 0.26 -0.74 0.44 0.00 -0.10 0.00 0.00 175.22 175.08 3d54 s ALA 7 N -3.97 -1.18 -0.13 5.36 0.00 -0.72 -2.71 121.76 118.40 3d54 s ALA 7 Ca 0.37 1.58 -0.06 0.00 0.00 0.00 0.00 51.96 53.85 3d54 s ALA 7 Cb 0.05 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 3d54 s ALA 7 CO 0.15 -0.59 0.09 0.42 0.00 0.00 0.00 175.76 175.82 3d54 s ILE 8 N 2.20 5.03 -0.43 0.00 1.01 0.15 -1.91 121.20 127.24 3d54 s ILE 8 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.64 3d54 s ILE 8 Cb -0.11 -3.20 0.12 0.00 0.01 0.00 0.00 42.46 39.28 3d54 s ILE 8 CO -0.13 0.57 0.19 -0.62 0.00 0.00 0.00 174.94 174.95 3d54 s ASP 9 N -0.57 4.96 0.31 3.58 -1.08 -0.87 -1.23 116.67 121.78 3d54 s ASP 9 Ca 0.11 -2.33 -0.07 0.00 -0.52 0.00 0.00 52.55 49.74 3d54 s ASP 9 Cb -0.12 -1.74 -0.06 0.00 -1.46 0.00 0.00 42.92 39.54 3d54 s ASP 9 CO 0.02 -0.42 0.61 -0.69 0.52 0.00 0.00 175.17 175.21 3d54 s VAL 10 N 0.68 4.94 0.05 1.11 1.01 -0.29 -2.26 120.40 125.64 3d54 s VAL 10 Ca 0.12 0.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.10 3d54 s VAL 10 Cb -0.22 -3.72 0.09 0.00 0.00 0.00 0.00 36.38 32.54 3d54 s VAL 10 CO -0.05 -0.34 0.75 -1.58 0.00 0.00 0.00 175.10 173.88 3d54 s GLN 11 N -3.52 1.03 0.37 2.72 2.00 -0.62 -3.07 119.66 118.58 3d54 s GLN 11 Ca 0.46 -0.27 -0.25 0.00 -2.00 0.00 0.00 55.36 53.30 3d54 s GLN 11 Cb -0.11 0.48 -0.09 0.00 0.80 0.00 0.00 33.01 34.09 3d54 s GLN 11 CO 0.29 -0.43 1.06 0.71 -0.50 0.00 0.00 175.29 176.42 3d54 s TYR 12 N -3.00 3.33 0.96 1.67 1.51 -1.26 -0.51 117.35 120.05 3d54 s TYR 12 Ca 0.01 1.65 -0.11 0.00 -1.01 0.00 0.00 57.07 57.62 3d54 s TYR 12 Cb -0.01 -3.17 0.16 0.00 -0.11 0.00 0.00 41.96 38.83 3d54 s TYR 12 CO -0.08 -0.63 1.05 0.54 -1.11 0.00 0.00 175.55 175.33 3d54 n ARG 13 N 0.19 -0.75 -0.21 -0.62 1.74 -0.45 -4.74 116.66 111.82 3d54 n ARG 13 Ca 0.04 -0.16 0.01 0.00 -0.77 0.00 0.00 57.85 56.97 3d54 n ARG 13 Cb 0.48 -2.29 0.12 0.00 -1.02 0.00 0.00 32.46 29.75 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 -1.99 0.09 1.59 0.55 0.02 -1.95 -2.56 113.55 109.31 3d54 h SER 14 Ca -0.46 0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.56 3d54 h SER 14 Cb 1.28 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.94 3d54 h SER 14 CO 0.41 0.05 -0.20 -0.55 -1.14 0.00 0.00 176.83 175.41 3d54 h ASN 15 N 0.32 0.00 -3.39 3.07 -1.07 -1.99 -3.44 115.58 109.08 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 0.48 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 36.64 3d54 h ASN 15 CO -0.38 0.20 0.16 -0.69 0.07 0.00 0.00 177.43 176.78 3d54 s VAL 16 N -3.23 5.00 0.03 6.14 1.01 -0.96 -5.04 120.40 123.34 3d54 s VAL 16 Ca 0.05 1.27 -0.27 0.00 0.00 0.00 0.00 61.98 63.03 3d54 s VAL 16 Cb 0.07 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 3d54 s VAL 16 CO 0.68 0.11 0.85 0.00 0.00 0.00 0.00 175.10 176.74 3d54 s ARG 17 N 1.87 4.55 -0.40 2.72 1.04 -1.26 -4.63 118.95 122.83 3d54 s ARG 17 Ca 0.31 1.21 -0.09 0.00 -1.04 0.00 0.00 55.73 56.12 3d54 s ARG 17 Cb -0.16 -3.41 0.07 0.00 -2.04 0.00 0.00 34.95 29.41 3d54 s ARG 17 CO 0.11 0.14 0.23 0.34 -0.04 0.00 0.00 175.30 176.09 3d54 s ASP 18 N 0.38 5.62 0.42 -2.89 2.15 -1.26 -4.97 116.67 116.11 3d54 s ASP 18 Ca 0.44 -1.38 0.18 0.00 0.43 0.00 0.00 52.55 52.22 3d54 s ASP 18 Cb -0.21 -1.98 0.93 0.00 -0.30 0.00 0.00 42.92 41.36 3d54 s ASP 18 CO 0.25 -0.49 1.88 1.55 -0.17 0.00 0.00 175.17 178.19 3d54 h PRO 19 N 8.39 0.00 0.01 4.34 0.13 -1.97 -1.98 132.00 140.92 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 32.22 3d54 h PRO 19 CO 0.72 0.29 -0.00 0.00 -0.23 0.00 0.00 178.00 178.78 3d54 h ARG 20 N 0.00 -0.01 0.00 0.86 3.08 -1.97 0.53 114.38 116.87 3d54 h ARG 20 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3d54 h ARG 20 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3d54 h ARG 20 CO 0.04 0.06 0.00 0.78 -1.07 0.00 0.00 179.97 179.78 3d54 h GLY 21 N -0.08 0.00 1.18 0.04 0.00 -1.84 -3.00 103.07 99.37 3d54 h GLY 21 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3d54 h GLY 21 CO 0.00 0.00 -1.12 -2.09 0.00 0.00 0.00 176.54 173.33 3d54 h GLU 22 N 0.00 0.00 0.00 4.80 4.81 -0.82 -2.10 114.58 121.27 3d54 h GLU 22 Ca 0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 3d54 h GLU 22 Cb 0.67 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 3d54 h GLU 22 CO 0.00 0.23 -0.90 1.15 -0.73 0.00 0.00 179.01 178.76 3d54 h THR 23 N 0.00 1.10 0.07 0.32 2.02 -0.77 -2.69 112.91 112.97 3d54 h THR 23 Ca -0.09 -2.64 -0.27 0.00 0.77 0.00 0.00 66.41 64.18 3d54 h THR 23 Cb 1.38 2.51 -0.02 0.00 -1.74 0.00 0.00 68.15 70.29 3d54 h THR 23 CO 0.04 0.63 -1.31 0.40 0.37 0.00 0.00 175.52 175.64 3d54 h ILE 24 N 0.00 1.38 -0.46 3.11 5.03 -1.60 -2.71 117.51 122.27 3d54 h ILE 24 Ca -0.05 -3.05 -0.08 0.00 -0.12 0.00 0.00 64.86 61.56 3d54 h ILE 24 Cb 1.60 2.80 -0.02 0.00 -3.03 0.00 0.00 36.82 38.17 3d54 h ILE 24 CO 0.09 0.85 -0.03 -0.08 -0.68 0.00 0.00 178.15 178.30 3d54 h GLU 25 N 0.04 0.77 0.00 2.37 4.81 -1.43 -1.07 114.58 120.08 3d54 h GLU 25 Ca -0.15 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3d54 h GLU 25 Cb 1.93 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.23 3d54 h GLU 25 CO 0.16 0.80 0.00 0.00 -0.73 0.00 0.00 179.01 179.24 3d54 h ARG 26 N 0.72 0.00 0.03 1.92 3.08 -1.48 -3.06 114.38 115.59 3d54 h ARG 26 Ca 0.14 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 3d54 h ARG 26 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3d54 h ARG 26 CO 0.02 0.00 -0.59 0.28 -1.07 0.00 0.00 179.97 178.61 3d54 h VAL 27 N 0.00 1.45 0.00 2.04 2.07 -1.00 -3.02 116.25 117.80 3d54 h VAL 27 Ca 0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 3d54 h VAL 27 Cb 0.77 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 3d54 h VAL 27 CO 0.00 0.56 0.00 0.18 0.02 0.00 0.00 177.57 178.33 3d54 n LEU 28 N -4.41 0.23 -0.04 2.57 4.77 -0.49 -1.08 117.00 118.55 3d54 n LEU 28 Ca -0.18 0.57 -0.02 0.00 -0.03 0.00 0.00 56.01 56.36 3d54 n LEU 28 Cb 0.63 -0.56 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 3d54 n LEU 28 CO 0.33 -0.47 -0.79 -1.14 -1.33 0.00 0.00 177.39 173.99 3d54 n ARG 29 N -1.77 1.57 -0.08 3.23 0.63 -1.16 -1.32 116.66 117.76 3d54 n ARG 29 Ca 0.02 -0.04 -0.11 0.00 -0.92 0.00 0.00 57.85 56.79 3d54 n ARG 29 Cb 0.13 -1.28 -0.07 0.00 0.45 0.00 0.00 32.46 31.68 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 -2.24 0.38 0.03 -0.14 1.02 -1.14 -3.71 120.64 114.84 3d54 n GLU 30 Ca -0.13 0.09 -0.18 0.00 -0.02 0.00 0.00 57.16 56.93 3d54 n GLU 30 Cb 0.67 -1.28 -0.14 0.00 -0.02 0.00 0.00 31.44 30.67 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 -0.07 0.23 0.00 3.49 4.57 -1.29 -3.36 114.58 118.16 3d54 h GLU 31 Ca -0.35 -0.40 0.00 0.00 -1.18 0.00 0.00 59.36 57.44 3d54 h GLU 31 Cb 1.51 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.24 3d54 h GLU 31 CO -0.08 1.07 -0.98 1.63 -1.18 0.00 0.00 179.01 179.47 3d54 n LYS 32 N -3.41 0.19 -1.42 1.92 4.76 -0.73 -5.00 118.16 114.46 3d54 n LYS 32 Ca -0.22 -0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.07 3d54 n LYS 32 Cb 1.05 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 32.70 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 1.49 1.42 3.70 0.72 0.00 -1.21 -4.93 105.19 106.38 3d54 n GLY 33 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.46 4.28 -1.04 0.99 1.43 -0.44 -4.95 118.68 115.50 3d54 s LEU 34 Ca 0.00 1.22 -0.25 0.00 -1.03 0.00 0.00 54.13 54.07 3d54 s LEU 34 Cb 0.00 -3.16 -0.12 0.00 0.03 0.00 0.00 46.19 42.94 3d54 s LEU 34 CO 0.00 -0.20 2.05 -2.16 0.23 0.00 0.00 176.35 176.27 3d54 s PRO 35 N 1.19 2.05 -0.06 1.29 0.04 -1.26 -4.18 135.00 134.07 3d54 s PRO 35 Ca 0.39 -0.56 0.06 0.00 0.04 0.00 0.00 61.00 60.92 3d54 s PRO 35 Cb -0.18 -5.07 -0.01 0.00 0.04 0.00 0.00 34.50 29.28 3d54 s PRO 35 CO 0.17 -4.31 -0.23 0.08 0.04 0.00 0.00 177.00 172.75 3d54 s VAL 36 N 12.87 1.94 -0.07 -0.36 1.01 -1.26 -5.13 120.40 129.40 3d54 s VAL 36 Ca 0.75 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3d54 s VAL 36 Cb -0.05 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 3d54 s VAL 36 CO 0.11 0.54 -0.15 -0.75 0.00 0.00 0.00 175.10 174.84 3d54 s LYS 37 N -0.06 2.69 -1.12 2.72 2.20 -1.26 -4.85 119.74 120.05 3d54 s LYS 37 Ca -0.05 -0.72 -0.07 0.00 -0.36 0.00 0.00 55.97 54.76 3d54 s LYS 37 Cb -0.14 -2.40 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 3d54 s LYS 37 CO 0.04 0.51 0.88 1.63 -0.36 0.00 0.00 175.35 178.05 3d54 n LYS 38 N 2.65 -3.16 -2.45 4.03 4.76 -1.26 -4.97 118.16 117.75 3d54 n LYS 38 Ca -0.17 0.76 -0.39 0.00 -2.87 0.00 0.00 58.31 55.64 3d54 n LYS 38 Cb 0.52 -5.45 -0.04 0.00 -1.84 0.00 0.00 35.03 28.22 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 -5.92 4.38 0.01 -0.35 0.20 -1.26 -5.08 118.68 110.66 3d54 s LEU 39 Ca 0.32 2.23 0.08 0.00 0.69 0.00 0.00 54.13 57.46 3d54 s LEU 39 Cb -0.06 -3.84 -0.02 0.00 -0.43 0.00 0.00 46.19 41.83 3d54 s LEU 39 CO 0.77 -0.33 -0.26 -0.13 -0.29 0.00 0.00 176.35 176.11 3d54 s ARG 40 N -1.88 1.98 -0.22 1.98 0.52 -1.26 -4.57 118.95 115.50 3d54 s ARG 40 Ca 0.50 -1.01 0.01 0.00 -0.52 0.00 0.00 55.73 54.71 3d54 s ARG 40 Cb -0.29 -2.02 0.05 0.00 0.52 0.00 0.00 34.95 33.21 3d54 s ARG 40 CO 0.37 0.54 -0.08 -1.17 0.02 0.00 0.00 175.30 174.99 3d54 s LEU 41 N -0.90 2.54 0.00 2.53 0.20 -1.26 -5.00 118.68 116.79 3d54 s LEU 41 Ca 0.11 -1.09 0.00 0.00 0.69 0.00 0.00 54.13 53.84 3d54 s LEU 41 Cb -0.10 -1.23 0.00 0.00 -0.43 0.00 0.00 46.19 44.43 3d54 s LEU 41 CO 0.00 -0.20 0.00 0.61 -0.29 0.00 0.00 176.35 176.48 3d54 n GLY 42 N 4.65 6.48 3.59 7.98 0.00 -1.26 -4.80 105.19 121.83 3d54 n GLY 42 Ca -0.13 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 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 0.81 2.30 -0.21 1.61 1.02 -1.17 -5.00 119.74 119.10 3d54 s LYS 43 Ca 0.00 -0.91 -0.00 0.00 0.02 0.00 0.00 55.97 55.07 3d54 s LYS 43 Cb 0.00 -2.38 0.05 0.00 -0.52 0.00 0.00 37.83 34.98 3d54 s LYS 43 CO 0.00 0.54 -0.04 -1.54 -0.92 0.00 0.00 175.35 173.39 3d54 s SER 44 N -1.94 3.37 -0.22 2.83 1.04 -1.26 -1.14 113.70 116.38 3d54 s SER 44 Ca 0.20 -0.96 -0.05 0.00 0.48 0.00 0.00 55.95 55.62 3d54 s SER 44 Cb -0.11 -0.99 -0.02 0.00 0.10 0.00 0.00 66.02 65.00 3d54 s SER 44 CO 0.12 -0.23 0.01 -0.63 0.98 0.00 0.00 173.24 173.48 3d54 s ILE 45 N 1.56 3.90 -0.14 -1.02 1.01 -0.36 -4.91 121.20 121.24 3d54 s ILE 45 Ca -0.03 -0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 3d54 s ILE 45 Cb -0.17 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 3d54 s ILE 45 CO -0.07 0.40 0.19 -1.00 0.00 0.00 0.00 174.94 174.45 3d54 s HIS 46 N 1.32 3.54 -0.12 3.97 3.76 -1.26 0.30 115.29 126.80 3d54 s HIS 46 Ca 0.04 0.53 -0.16 0.00 -0.15 0.00 0.00 55.06 55.32 3d54 s HIS 46 Cb -0.15 -2.09 0.04 0.00 1.11 0.00 0.00 32.58 31.49 3d54 s HIS 46 CO 0.01 0.53 0.42 -0.48 -0.85 0.00 0.00 174.74 174.37 3d54 s LEU 47 N -0.43 0.40 -0.17 0.89 2.34 -1.10 -5.00 118.68 115.60 3d54 s LEU 47 Ca 0.14 0.66 -0.07 0.00 0.06 0.00 0.00 54.13 54.92 3d54 s LEU 47 Cb -0.12 1.51 -0.04 0.00 -0.56 0.00 0.00 46.19 46.97 3d54 s LEU 47 CO 0.03 -0.26 0.08 -0.70 -1.06 0.00 0.00 176.35 174.44 3d54 s GLU 48 N -0.27 3.90 0.07 1.48 2.12 -1.26 -1.69 118.70 123.05 3d54 s GLU 48 Ca -0.04 -0.30 0.08 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 31.10 3d54 s GLU 48 CO 0.02 0.36 -0.18 0.08 -0.54 0.00 0.00 175.26 175.00 3d54 s VAL 49 N 0.15 2.80 -0.30 3.70 1.01 -0.26 -4.94 120.40 122.56 3d54 s VAL 49 Ca 0.06 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.76 3d54 s VAL 49 Cb -0.12 -2.21 0.07 0.00 0.00 0.00 0.00 36.38 34.11 3d54 s VAL 49 CO 0.00 0.26 -0.03 -0.70 0.00 0.00 0.00 175.10 174.63 3d54 s GLU 50 N -1.67 2.15 0.14 2.72 2.12 -1.26 -1.51 118.70 121.40 3d54 s GLU 50 Ca 0.16 -1.45 -0.04 0.00 0.36 0.00 0.00 54.97 54.00 3d54 s GLU 50 Cb -0.11 -3.08 0.01 0.00 0.26 0.00 0.00 34.13 31.22 3d54 s GLU 50 CO 0.07 -0.68 0.25 0.00 -0.54 0.00 0.00 175.26 174.35 3d54 n ALA 51 N 4.47 -0.45 -0.06 6.30 0.00 -1.22 -4.88 120.51 124.66 3d54 n ALA 51 Ca -0.10 -0.51 -0.05 0.00 0.00 0.00 0.00 53.44 52.78 3d54 n ALA 51 Cb 0.42 0.41 -0.02 0.00 0.00 0.00 0.00 19.45 20.26 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 -0.20 0.39 -2.39 0.00 -0.58 -1.26 -3.08 120.64 113.52 3d54 n GLU 52 Ca -0.02 0.34 -0.09 0.00 -0.42 0.00 0.00 57.16 56.98 3d54 n GLU 52 Cb 0.21 -1.40 -0.00 0.00 -0.57 0.00 0.00 31.44 29.68 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 -4.13 1.77 0.11 1.62 3.02 -1.26 -4.88 115.26 111.51 3d54 n ASN 53 Ca -0.08 -1.63 -0.03 0.00 -0.03 0.00 0.00 54.58 52.80 3d54 n ASN 53 Cb 0.30 0.02 0.13 0.00 -0.61 0.00 0.00 39.78 39.62 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 0.11 -0.06 3.52 1.57 -2.00 -3.07 116.57 116.64 3d54 h LYS 54 Ca -0.12 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3d54 h LYS 54 Cb 0.41 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3d54 h LYS 54 CO 0.19 0.71 -0.02 0.93 -0.57 0.00 0.00 179.45 180.69 3d54 h GLU 55 N 0.08 0.12 0.00 3.15 4.39 -2.01 -2.80 114.58 117.51 3d54 h GLU 55 Ca -0.01 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 3d54 h GLU 55 Cb 1.15 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 3d54 h GLU 55 CO 0.09 0.49 -0.22 0.87 -1.16 0.00 0.00 179.01 179.08 3d54 h LYS 56 N -0.26 0.00 -0.11 2.33 1.79 -1.96 -2.94 116.57 115.42 3d54 h LYS 56 Ca 0.01 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.35 3d54 h LYS 56 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3d54 h LYS 56 CO 0.01 0.22 -0.43 0.00 -1.08 0.00 0.00 179.45 178.17 3d54 h ALA 57 N 1.78 0.20 -0.70 3.86 0.00 -1.43 -2.98 119.26 119.99 3d54 h ALA 57 Ca -0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3d54 h ALA 57 Cb 0.42 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3d54 h ALA 57 CO 0.03 0.33 0.27 -0.92 0.00 0.00 0.00 179.25 178.96 3d54 h TYR 58 N 0.08 1.09 0.00 0.00 5.03 -1.33 -2.20 116.97 119.64 3d54 h TYR 58 Ca -0.02 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.20 3d54 h TYR 58 Cb 1.07 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 39.02 3d54 h TYR 58 CO 0.11 0.85 0.00 1.05 -1.32 0.00 0.00 178.16 178.85 3d54 h GLU 59 N 1.01 0.00 -0.07 1.82 4.11 -1.57 -2.58 114.58 117.30 3d54 h GLU 59 Ca 0.23 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.63 3d54 h GLU 59 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 3d54 h GLU 59 CO -0.02 0.00 -0.07 0.82 0.07 0.00 0.00 179.01 179.82 3d54 h ILE 60 N 0.00 1.37 -0.68 -1.06 1.08 -1.23 -2.51 117.51 114.47 3d54 h ILE 60 Ca 0.00 -1.21 0.01 0.00 -0.39 0.00 0.00 64.86 63.27 3d54 h ILE 60 Cb 0.60 2.01 -0.03 0.00 -3.07 0.00 0.00 36.82 36.33 3d54 h ILE 60 CO 0.00 0.33 0.45 0.58 -0.69 0.00 0.00 178.15 178.83 3d54 h VAL 61 N -0.26 1.16 -0.10 1.67 2.07 -1.38 -1.53 116.25 117.89 3d54 h VAL 61 Ca 0.01 -0.31 -0.11 0.00 0.82 0.00 0.00 66.70 67.11 3d54 h VAL 61 Cb 0.57 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3d54 h VAL 61 CO 0.02 0.17 -0.41 0.11 0.02 0.00 0.00 177.57 177.47 3d54 h LYS 62 N 0.91 0.22 0.04 1.57 1.57 -1.36 -2.31 116.57 117.21 3d54 h LYS 62 Ca 0.25 -0.10 -0.24 0.00 -1.87 0.00 0.00 60.65 58.70 3d54 h LYS 62 Cb -0.08 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3d54 h LYS 62 CO -0.06 0.60 -1.02 0.87 -0.57 0.00 0.00 179.45 179.27 3d54 h LYS 63 N 0.18 0.33 0.00 3.15 1.79 -0.84 -2.87 116.57 118.31 3d54 h LYS 63 Ca 0.02 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 3d54 h LYS 63 Cb 0.81 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 3d54 h LYS 63 CO 0.06 1.11 0.00 0.00 -1.08 0.00 0.00 179.45 179.55 3d54 h ALA 64 N 0.73 1.00 0.00 3.86 0.00 -1.12 -2.26 119.26 121.47 3d54 h ALA 64 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3d54 h ALA 64 Cb 1.69 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3d54 h ALA 64 CO 0.17 0.00 -0.66 0.00 0.00 0.00 0.00 179.25 178.76 3d54 h GLU 66 N -1.00 0.00 0.00 0.00 5.08 -1.46 -0.86 114.58 116.34 3d54 h GLU 66 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3d54 h GLU 66 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3d54 h GLU 66 CO -0.08 0.10 -1.69 0.39 -1.00 0.00 0.00 179.01 176.72 3d54 n GLU 67 N -3.56 0.57 0.00 2.33 1.02 -0.86 -4.81 120.64 115.33 3d54 n GLU 67 Ca -0.02 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 3d54 n GLU 67 Cb 0.23 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 -2.03 0.00 0.11 -4.62 7.94 -1.08 -5.05 117.00 112.27 3d54 n LEU 68 Ca -0.02 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.64 3d54 n LEU 68 Cb 0.48 0.02 -0.15 0.00 0.53 0.00 0.00 43.42 44.30 3d54 n LEU 68 CO 0.43 -0.49 -0.31 -0.07 -1.11 0.00 0.00 177.39 175.84 3d54 h LEU 69 N 0.00 0.72 -8.70 -1.96 3.38 -0.40 -3.38 115.31 104.97 3d54 h LEU 69 Ca 0.00 -0.93 -0.67 0.00 0.09 0.00 0.00 57.88 56.38 3d54 h LEU 69 Cb 0.00 -0.23 -0.20 0.00 0.09 0.00 0.00 40.66 40.32 3d54 h LEU 69 CO 0.00 1.70 -0.51 -0.69 0.09 0.00 0.00 178.44 179.03 3d54 s VAL 70 N -2.57 5.06 -0.18 1.22 1.01 -0.45 -5.04 120.40 119.46 3d54 s VAL 70 Ca -0.12 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 3d54 s VAL 70 Cb 0.04 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 3d54 s VAL 70 CO 0.90 0.07 1.89 0.21 0.00 0.00 0.00 175.10 178.16 3d54 s ASN 71 N 1.69 6.06 0.46 3.32 3.84 -1.26 -4.41 114.94 124.65 3d54 s ASN 71 Ca 0.06 1.88 0.26 0.00 0.21 0.00 0.00 52.86 55.27 3d54 s ASN 71 Cb -0.17 -2.52 1.44 0.00 -0.55 0.00 0.00 41.25 39.45 3d54 s ASN 71 CO 0.09 -1.48 1.79 1.55 -2.79 0.00 0.00 177.10 176.26 3d54 h PRO 72 N 12.23 0.00 0.00 0.43 0.13 -1.87 -1.61 132.00 141.31 3d54 h PRO 72 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3d54 h PRO 72 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3d54 h PRO 72 CO 0.98 0.00 -0.15 0.28 -0.23 0.00 0.00 178.00 178.88 3d54 h VAL 73 N 0.00 0.00 0.00 1.56 2.07 -2.01 -3.42 116.25 114.45 3d54 h VAL 73 Ca 0.00 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.57 3d54 h VAL 73 Cb 0.23 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3d54 h VAL 73 CO 0.00 0.00 -1.36 1.33 0.02 0.00 0.00 177.57 177.56 3d54 n VAL 74 N -4.61 0.00 -4.02 2.57 0.24 -1.23 -4.98 118.33 106.30 3d54 n VAL 74 Ca -0.02 -0.27 -0.33 0.00 -2.04 0.00 0.00 64.34 61.68 3d54 n VAL 74 Cb 0.08 0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 32.87 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 -2.90 3.19 0.23 7.34 2.02 -0.61 -1.34 118.70 126.63 3d54 s GLU 75 Ca -0.01 -0.45 0.11 0.00 0.02 0.00 0.00 54.97 54.64 3d54 s GLU 75 Cb 0.11 -2.94 -0.05 0.00 0.10 0.00 0.00 34.13 31.36 3d54 s GLU 75 CO 0.68 0.65 -0.20 -2.00 0.02 0.00 0.00 175.26 174.41 3d54 s GLU 76 N -1.92 1.54 0.13 1.61 2.12 0.33 -4.57 118.70 117.94 3d54 s GLU 76 Ca 0.26 -1.63 -0.19 0.00 0.36 0.00 0.00 54.97 53.76 3d54 s GLU 76 Cb -0.12 -1.65 0.05 0.00 0.26 0.00 0.00 34.13 32.66 3d54 s GLU 76 CO 0.17 0.32 0.49 1.52 -0.54 0.00 0.00 175.26 177.23 3d54 s TYR 77 N -2.27 -0.35 -0.15 5.30 1.13 -1.26 -1.58 117.35 118.16 3d54 s TYR 77 Ca 0.25 0.11 -0.07 0.00 -1.41 0.00 0.00 57.07 55.95 3d54 s TYR 77 Cb -0.05 0.38 0.06 0.00 -1.10 0.00 0.00 41.96 41.25 3d54 s TYR 77 CO 0.11 -0.75 0.33 -2.00 -2.51 0.00 0.00 175.55 170.73 3d54 s GLU 78 N -3.66 0.26 0.01 -3.49 2.12 -0.96 -5.02 118.70 107.97 3d54 s GLU 78 Ca 0.01 0.77 -0.00 0.00 0.36 0.00 0.00 54.97 56.11 3d54 s GLU 78 Cb 0.01 0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.38 3d54 s GLU 78 CO -0.11 -0.21 0.09 0.54 -0.54 0.00 0.00 175.26 175.03 3d54 s VAL 79 N 1.91 4.78 0.06 3.70 0.11 -1.26 -2.05 120.40 127.65 3d54 s VAL 79 Ca -0.05 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.58 3d54 s VAL 79 Cb -0.11 -3.22 -0.03 0.00 -1.53 0.00 0.00 36.38 31.50 3d54 s VAL 79 CO -0.11 0.30 -0.09 0.00 -3.33 0.00 0.00 175.10 171.88 3d54 s ARG 80 N -1.89 0.63 0.81 1.54 1.70 -0.80 -5.03 118.95 115.90 3d54 s ARG 80 Ca 0.25 -0.87 -0.12 0.00 -0.47 0.00 0.00 55.73 54.52 3d54 s ARG 80 Cb -0.12 -0.39 0.08 0.00 -0.57 0.00 0.00 34.95 33.95 3d54 s ARG 80 CO 0.16 0.07 1.18 -1.21 -1.08 0.00 0.00 175.30 174.42 3d54 s GLU 81 N -1.88 1.92 0.00 3.89 2.02 -1.26 -1.76 118.70 121.62 3d54 s GLU 81 Ca -0.06 0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.00 3d54 s GLU 81 Cb -0.08 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.19 3d54 s GLU 81 CO 0.00 -1.61 0.14 1.28 0.02 0.00 0.00 175.26 175.09