#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 4.21 -0.07 0.03 0.04 -1.26 -4.97 135.00 132.98 3d54 s PRO 2 Ca 0.00 0.89 -0.05 0.00 0.04 0.00 0.00 61.00 61.88 3d54 s PRO 2 Cb 0.00 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 3d54 s PRO 2 CO 0.00 0.26 0.14 -0.51 0.04 0.00 0.00 177.00 176.94 3d54 s LEU 3 N -2.41 4.30 -0.21 -3.56 1.02 -1.26 -3.39 118.68 113.17 3d54 s LEU 3 Ca 0.49 0.38 -0.02 0.00 0.02 0.00 0.00 54.13 55.01 3d54 s LEU 3 Cb -0.14 -2.28 0.06 0.00 0.02 0.00 0.00 46.19 43.86 3d54 s LEU 3 CO 0.19 0.34 0.02 -0.36 0.02 0.00 0.00 176.35 176.57 3d54 s PHE 4 N -1.14 1.36 -0.00 0.29 0.08 -0.62 -4.95 117.98 113.00 3d54 s PHE 4 Ca 0.20 -1.12 -0.30 0.00 0.12 0.00 0.00 56.93 55.83 3d54 s PHE 4 Cb -0.12 -1.20 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 3d54 s PHE 4 CO 0.10 -0.67 1.06 0.15 -0.10 0.00 0.00 175.22 175.77 3d54 s LYS 5 N 1.75 4.49 0.17 0.44 1.02 -1.26 -2.12 119.74 124.22 3d54 s LYS 5 Ca -0.01 1.54 0.05 0.00 0.02 0.00 0.00 55.97 57.56 3d54 s LYS 5 Cb -0.17 -3.45 -0.05 0.00 -0.52 0.00 0.00 37.83 33.64 3d54 s LYS 5 CO -0.09 -0.17 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.02 3d54 s PHE 6 N 1.25 1.38 -0.20 3.18 0.08 -0.63 -2.05 117.98 120.98 3d54 s PHE 6 Ca 0.54 -0.78 -0.04 0.00 0.12 0.00 0.00 56.93 56.77 3d54 s PHE 6 Cb -0.23 -0.72 0.10 0.00 -0.57 0.00 0.00 43.02 41.59 3d54 s PHE 6 CO 0.27 0.08 0.23 0.00 -0.10 0.00 0.00 175.22 175.70 3d54 s ALA 7 N -3.31 -0.31 -0.26 5.36 0.00 -0.79 -1.57 121.76 120.88 3d54 s ALA 7 Ca 0.20 0.28 -0.16 0.00 0.00 0.00 0.00 51.96 52.28 3d54 s ALA 7 Cb 0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 3d54 s ALA 7 CO 0.03 -1.21 0.42 0.42 0.00 0.00 0.00 175.76 175.42 3d54 s ILE 8 N 2.33 5.14 -0.42 0.00 1.01 0.24 -2.78 121.20 126.73 3d54 s ILE 8 Ca 0.07 0.68 -0.18 0.00 0.00 0.00 0.00 60.65 61.22 3d54 s ILE 8 Cb -0.16 -3.74 0.02 0.00 0.01 0.00 0.00 42.46 38.59 3d54 s ILE 8 CO -0.12 0.14 0.47 -0.62 0.00 0.00 0.00 174.94 174.81 3d54 s ASP 9 N 1.56 6.22 -0.14 3.58 -1.08 -0.81 -1.52 116.67 124.49 3d54 s ASP 9 Ca 0.17 -0.61 -0.05 0.00 -0.52 0.00 0.00 52.55 51.54 3d54 s ASP 9 Cb -0.16 -2.24 -0.04 0.00 -1.46 0.00 0.00 42.92 39.03 3d54 s ASP 9 CO 0.09 -0.60 0.04 -0.69 0.52 0.00 0.00 175.17 174.53 3d54 s VAL 10 N 2.24 4.61 0.04 1.11 1.01 -0.73 -2.23 120.40 126.46 3d54 s VAL 10 Ca 0.14 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 3d54 s VAL 10 Cb -0.17 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 3d54 s VAL 10 CO 0.14 0.54 0.10 -1.10 0.00 0.00 0.00 175.10 174.78 3d54 s GLN 11 N -0.29 0.62 0.45 2.72 -1.52 -0.86 -2.39 119.66 118.39 3d54 s GLN 11 Ca 0.08 -0.81 -0.21 0.00 -1.95 0.00 0.00 55.36 52.46 3d54 s GLN 11 Cb -0.12 0.24 -0.10 0.00 -0.22 0.00 0.00 33.01 32.81 3d54 s GLN 11 CO 0.02 -0.16 1.00 0.71 -0.25 0.00 0.00 175.29 176.61 3d54 s TYR 12 N -2.85 3.19 0.49 0.91 4.12 -1.26 -0.76 117.35 121.18 3d54 s TYR 12 Ca -0.03 1.61 -0.22 0.00 0.02 0.00 0.00 57.07 58.45 3d54 s TYR 12 Cb 0.00 -2.98 -0.09 0.00 -1.52 0.00 0.00 41.96 37.38 3d54 s TYR 12 CO -0.06 -0.46 0.88 0.54 0.02 0.00 0.00 175.55 176.47 3d54 n ARG 13 N -0.66 1.03 0.00 -0.62 1.74 -0.31 -4.79 116.66 113.05 3d54 n ARG 13 Ca 0.08 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 3d54 n ARG 13 Cb 0.53 -1.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 3d54 n ARG 13 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3d54 n SER 14 N 0.27 0.00 0.00 0.55 7.64 -1.26 -1.07 113.62 119.74 3d54 n SER 14 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3d54 n SER 14 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 3d54 n SER 14 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3d54 n ASN 15 N -0.93 0.26 -4.66 6.43 4.13 -1.26 -5.01 115.26 114.22 3d54 n ASN 15 Ca 0.00 -0.86 -0.41 0.00 1.68 0.00 0.00 54.58 54.99 3d54 n ASN 15 Cb 0.00 0.05 -0.05 0.00 -1.54 0.00 0.00 39.78 38.24 3d54 n ASN 15 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3d54 s VAL 16 N -0.05 4.95 0.22 2.41 1.01 -0.24 -5.02 120.40 123.69 3d54 s VAL 16 Ca 0.00 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.04 3d54 s VAL 16 Cb 0.00 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 3d54 s VAL 16 CO 0.00 0.05 1.37 -0.60 0.00 0.00 0.00 175.10 175.93 3d54 s ARG 17 N 2.18 4.33 -0.49 2.72 3.52 -1.26 -4.73 118.95 125.23 3d54 s ARG 17 Ca 0.32 2.17 0.03 0.00 -0.13 0.00 0.00 55.73 58.12 3d54 s ARG 17 Cb -0.16 -3.15 0.14 0.00 -1.56 0.00 0.00 34.95 30.22 3d54 s ARG 17 CO 0.10 -0.34 0.28 0.34 -0.81 0.00 0.00 175.30 174.88 3d54 s ASP 18 N 0.36 3.73 0.16 -2.12 2.15 -1.26 -4.96 116.67 114.72 3d54 s ASP 18 Ca 0.58 -2.89 0.22 0.00 0.43 0.00 0.00 52.55 50.89 3d54 s ASP 18 Cb -0.39 -1.16 0.88 0.00 -0.30 0.00 0.00 42.92 41.95 3d54 s ASP 18 CO 0.40 -0.23 1.67 -2.65 -0.17 0.00 0.00 175.17 174.20 3d54 n PRO 19 N 3.21 0.14 0.18 4.34 -0.02 -1.26 -1.83 135.00 139.75 3d54 n PRO 19 Ca 0.11 0.31 0.02 0.00 -2.02 0.00 0.00 63.50 61.92 3d54 n PRO 19 Cb 0.35 -1.73 0.33 0.00 -0.02 0.00 0.00 33.50 32.43 3d54 n PRO 19 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3d54 h ARG 20 N 0.00 0.00 0.00 -0.52 1.12 -1.99 -2.06 114.38 110.93 3d54 h ARG 20 Ca 0.00 0.00 -0.24 0.00 -1.11 0.00 0.00 59.98 58.63 3d54 h ARG 20 Cb 0.40 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.32 3d54 h ARG 20 CO 0.00 0.41 -1.65 0.41 -3.11 0.00 0.00 179.97 176.03 3d54 n GLY 21 N -0.34 -1.08 0.16 2.80 0.00 -0.76 -3.28 105.19 102.69 3d54 n GLY 21 Ca -0.02 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 45.92 3d54 n GLY 21 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3d54 h GLU 22 N 0.00 0.00 -0.09 1.61 5.08 -1.31 -2.50 114.58 117.38 3d54 h GLU 22 Ca -0.25 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.96 3d54 h GLU 22 Cb 1.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 3d54 h GLU 22 CO 0.06 0.49 -0.60 1.15 -1.00 0.00 0.00 179.01 179.11 3d54 h THR 23 N 0.00 1.37 0.01 1.13 2.02 -1.47 -1.89 112.91 114.08 3d54 h THR 23 Ca -0.00 -1.95 -0.19 0.00 0.77 0.00 0.00 66.41 65.04 3d54 h THR 23 Cb 1.11 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 69.46 3d54 h THR 23 CO 0.06 0.58 -0.89 0.40 0.37 0.00 0.00 175.52 176.04 3d54 h ILE 24 N 0.22 1.57 -0.17 3.11 2.04 -1.52 -2.96 117.51 119.80 3d54 h ILE 24 Ca -0.00 -2.86 -0.16 0.00 1.00 0.00 0.00 64.86 62.83 3d54 h ILE 24 Cb 1.10 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.75 3d54 h ILE 24 CO 0.10 0.82 -0.56 -0.08 0.00 0.00 0.00 178.15 178.43 3d54 h GLU 25 N 0.04 0.53 0.57 2.37 4.81 -1.27 -3.02 114.58 118.61 3d54 h GLU 25 Ca -0.03 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.84 3d54 h GLU 25 Cb 1.55 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.96 3d54 h GLU 25 CO 0.12 0.95 -0.38 0.00 -0.73 0.00 0.00 179.01 178.98 3d54 h ARG 26 N 0.41 -0.86 0.00 1.92 2.47 -1.31 -3.11 114.38 113.90 3d54 h ARG 26 Ca 0.01 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3d54 h ARG 26 Cb 1.10 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 3d54 h ARG 26 CO 0.10 -0.57 0.00 0.28 0.56 0.00 0.00 179.97 180.34 3d54 n VAL 27 N -4.75 0.00 -0.18 2.04 0.31 -1.12 -1.40 118.33 113.23 3d54 n VAL 27 Ca -0.11 0.93 0.00 0.00 -0.01 0.00 0.00 64.34 65.15 3d54 n VAL 27 Cb 0.38 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 3d54 n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d54 n LEU 28 N -0.63 1.92 0.00 7.52 -0.00 -1.14 0.74 117.00 125.41 3d54 n LEU 28 Ca 0.00 -0.87 0.00 0.00 -0.00 0.00 0.00 56.01 55.14 3d54 n LEU 28 Cb 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.01 3d54 n LEU 28 CO 0.00 0.36 -0.15 0.54 -0.00 0.00 0.00 177.39 178.15 3d54 n ARG 29 N 1.81 1.00 -0.03 1.47 1.74 -1.03 -3.78 116.66 117.84 3d54 n ARG 29 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 3d54 n ARG 29 Cb 0.18 -0.65 -0.13 0.00 -1.02 0.00 0.00 32.46 30.84 3d54 n ARG 29 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3d54 n GLU 30 N -1.05 0.79 -0.03 5.56 1.02 0.23 -3.06 120.64 124.10 3d54 n GLU 30 Ca 0.00 -0.11 0.01 0.00 -0.02 0.00 0.00 57.16 57.04 3d54 n GLU 30 Cb 0.15 -1.42 -0.09 0.00 -0.02 0.00 0.00 31.44 30.06 3d54 n GLU 30 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3d54 n GLU 31 N -2.27 1.23 0.00 3.49 1.02 0.23 -4.63 120.64 119.70 3d54 n GLU 31 Ca -0.11 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 3d54 n GLU 31 Cb 0.65 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 3d54 n GLU 31 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d54 n LYS 32 N -2.12 0.01 -4.07 3.49 4.76 -1.16 -4.97 118.16 114.11 3d54 n LYS 32 Ca -0.09 -0.38 -0.39 0.00 -2.87 0.00 0.00 58.31 54.59 3d54 n LYS 32 Cb 0.54 -0.87 -0.01 0.00 -1.84 0.00 0.00 35.03 32.86 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 0.11 -0.58 3.51 0.72 0.00 -1.17 -4.85 105.19 102.92 3d54 n GLY 33 Ca 0.00 0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 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 -7.14 2.84 -1.01 0.99 1.02 -1.25 -4.98 118.68 109.16 3d54 s LEU 34 Ca 0.34 -0.24 -0.23 0.00 0.02 0.00 0.00 54.13 54.01 3d54 s LEU 34 Cb -0.19 -1.62 0.01 0.00 0.02 0.00 0.00 46.19 44.40 3d54 s LEU 34 CO 0.87 0.30 1.69 -2.84 0.02 0.00 0.00 176.35 176.39 3d54 s PRO 35 N -1.13 3.17 -0.21 1.29 0.02 -1.26 -4.61 135.00 132.27 3d54 s PRO 35 Ca 0.14 -0.88 -0.04 0.00 0.02 0.00 0.00 61.00 60.24 3d54 s PRO 35 Cb -0.11 -5.26 0.07 0.00 0.02 0.00 0.00 34.50 29.23 3d54 s PRO 35 CO 0.04 -2.76 0.08 0.54 -0.33 0.00 0.00 177.00 174.56 3d54 s VAL 36 N 7.21 0.19 0.21 3.83 0.11 -1.26 -5.14 120.40 125.55 3d54 s VAL 36 Ca 0.57 -0.48 0.06 0.00 -2.93 0.00 0.00 61.98 59.20 3d54 s VAL 36 Cb -0.02 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 3d54 s VAL 36 CO -0.04 -0.36 0.22 -0.54 -3.33 0.00 0.00 175.10 171.05 3d54 s LYS 37 N 2.00 3.07 -0.39 1.54 1.02 -1.26 -4.90 119.74 120.81 3d54 s LYS 37 Ca 0.03 -0.89 -0.09 0.00 0.02 0.00 0.00 55.97 55.03 3d54 s LYS 37 Cb -0.16 -2.69 0.01 0.00 -0.52 0.00 0.00 37.83 34.47 3d54 s LYS 37 CO -0.14 0.45 0.48 1.17 -0.92 0.00 0.00 175.35 176.38 3d54 n LYS 38 N -0.89 -1.61 -4.06 1.68 4.81 -1.26 -5.01 118.16 111.83 3d54 n LYS 38 Ca -0.08 1.62 -0.28 0.00 -0.87 0.00 0.00 58.31 58.70 3d54 n LYS 38 Cb 0.56 -4.73 -0.17 0.00 0.02 0.00 0.00 35.03 30.72 3d54 n LYS 38 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3d54 s LEU 39 N -2.59 1.43 0.13 3.14 0.20 -1.26 -5.13 118.68 114.60 3d54 s LEU 39 Ca 0.14 -0.37 0.06 0.00 0.69 0.00 0.00 54.13 54.65 3d54 s LEU 39 Cb -0.04 -0.96 -0.04 0.00 -0.43 0.00 0.00 46.19 44.72 3d54 s LEU 39 CO 0.59 -0.07 -0.01 -0.13 -0.29 0.00 0.00 176.35 176.43 3d54 s ARG 40 N 1.47 2.43 -0.02 1.98 0.52 -1.26 -4.68 118.95 119.40 3d54 s ARG 40 Ca 0.02 -0.98 0.07 0.00 -0.52 0.00 0.00 55.73 54.32 3d54 s ARG 40 Cb -0.13 -2.43 -0.02 0.00 0.52 0.00 0.00 34.95 32.89 3d54 s ARG 40 CO -0.07 0.50 -0.22 -1.17 0.02 0.00 0.00 175.30 174.36 3d54 s LEU 41 N -2.58 2.04 0.00 2.53 1.98 -1.26 -5.07 118.68 116.31 3d54 s LEU 41 Ca 0.26 -0.39 0.00 0.00 -2.89 0.00 0.00 54.13 51.11 3d54 s LEU 41 Cb -0.11 -1.11 0.00 0.00 0.66 0.00 0.00 46.19 45.63 3d54 s LEU 41 CO 0.18 0.26 0.00 0.61 -1.89 0.00 0.00 176.35 175.51 3d54 n GLY 42 N 2.57 2.69 3.93 7.98 0.00 -1.26 -4.58 105.19 116.51 3d54 n GLY 42 Ca -0.15 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.41 3.40 -0.25 1.61 1.02 -1.00 -5.00 119.74 119.11 3d54 s LYS 43 Ca 0.00 -0.62 -0.03 0.00 0.02 0.00 0.00 55.97 55.34 3d54 s LYS 43 Cb 0.00 -2.94 0.08 0.00 -0.52 0.00 0.00 37.83 34.45 3d54 s LYS 43 CO 0.00 0.52 0.08 0.45 -0.92 0.00 0.00 175.35 175.48 3d54 s SER 44 N -3.23 3.30 -0.24 2.83 0.15 -1.26 -1.77 113.70 113.48 3d54 s SER 44 Ca 0.34 -1.14 -0.08 0.00 0.70 0.00 0.00 55.95 55.78 3d54 s SER 44 Cb -0.11 -0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 63.61 3d54 s SER 44 CO 0.28 -0.38 0.08 -0.63 1.20 0.00 0.00 173.24 173.79 3d54 s ILE 45 N 1.90 4.47 -0.16 6.45 1.01 -0.57 -4.95 121.20 129.34 3d54 s ILE 45 Ca 0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.51 3d54 s ILE 45 Cb -0.17 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3d54 s ILE 45 CO -0.20 0.35 0.06 -1.00 0.00 0.00 0.00 174.94 174.14 3d54 s HIS 46 N 1.44 3.27 -0.18 3.97 3.76 -1.26 0.82 115.29 127.11 3d54 s HIS 46 Ca 0.06 0.13 -0.12 0.00 -0.15 0.00 0.00 55.06 54.98 3d54 s HIS 46 Cb -0.15 -2.01 0.06 0.00 1.11 0.00 0.00 32.58 31.59 3d54 s HIS 46 CO 0.04 0.27 0.46 -0.48 -0.85 0.00 0.00 174.74 174.17 3d54 s LEU 47 N -0.00 -0.10 0.06 0.89 0.05 -0.61 -5.00 118.68 113.98 3d54 s LEU 47 Ca 0.06 0.97 -0.08 0.00 0.05 0.00 0.00 54.13 55.13 3d54 s LEU 47 Cb -0.12 1.53 -0.05 0.00 -2.05 0.00 0.00 46.19 45.49 3d54 s LEU 47 CO 0.01 -0.19 0.35 -1.61 -0.55 0.00 0.00 176.35 174.36 3d54 s GLU 48 N 1.11 3.68 0.02 1.48 2.02 -1.26 -1.61 118.70 124.14 3d54 s GLU 48 Ca -0.07 0.05 0.02 0.00 0.02 0.00 0.00 54.97 54.99 3d54 s GLU 48 Cb -0.07 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.15 3d54 s GLU 48 CO -0.10 0.58 -0.07 0.08 0.02 0.00 0.00 175.26 175.77 3d54 s VAL 49 N -1.40 0.50 -0.17 2.63 1.01 -0.90 -4.94 120.40 117.13 3d54 s VAL 49 Ca 0.32 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 3d54 s VAL 49 Cb -0.13 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 3d54 s VAL 49 CO 0.18 -0.10 0.03 -1.61 0.00 0.00 0.00 175.10 173.61 3d54 s GLU 50 N -0.78 3.83 0.02 2.72 2.02 -1.26 -1.59 118.70 123.65 3d54 s GLU 50 Ca -0.03 -0.39 -0.01 0.00 0.02 0.00 0.00 54.97 54.56 3d54 s GLU 50 Cb -0.06 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.07 3d54 s GLU 50 CO 0.00 0.31 0.06 0.00 0.02 0.00 0.00 175.26 175.65 3d54 n ALA 51 N 3.40 -0.14 -0.02 5.21 0.00 -1.22 -4.99 120.51 122.75 3d54 n ALA 51 Ca -0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 53.44 53.20 3d54 n ALA 51 Cb 0.52 0.05 -0.00 0.00 0.00 0.00 0.00 19.45 20.02 3d54 n ALA 51 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3d54 h GLU 52 N 0.00 -0.00 0.00 0.00 3.07 -1.92 -3.35 114.58 112.37 3d54 h GLU 52 Ca -0.02 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.40 3d54 h GLU 52 Cb 0.08 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.91 3d54 h GLU 52 CO 0.03 -0.00 -0.32 0.27 -1.40 0.00 0.00 179.01 177.59 3d54 n ASN 53 N -3.34 2.92 0.08 1.42 0.23 -1.26 -4.85 115.26 110.46 3d54 n ASN 53 Ca -0.00 -2.48 -0.09 0.00 -0.53 0.00 0.00 54.58 51.48 3d54 n ASN 53 Cb 0.00 0.23 -0.06 0.00 -2.08 0.00 0.00 39.78 37.87 3d54 n ASN 53 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3d54 h LYS 54 N 0.00 0.12 0.00 -3.83 3.64 -1.99 -2.93 116.57 111.58 3d54 h LYS 54 Ca -0.28 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 58.82 3d54 h LYS 54 Cb 0.86 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 3d54 h LYS 54 CO 0.47 0.99 -0.56 1.49 -2.27 0.00 0.00 179.45 179.56 3d54 h GLU 55 N 0.05 0.00 0.00 1.90 4.81 -2.00 -2.35 114.58 117.00 3d54 h GLU 55 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3d54 h GLU 55 Cb 1.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.03 3d54 h GLU 55 CO 0.14 0.56 -0.59 1.17 -0.73 0.00 0.00 179.01 179.56 3d54 n LYS 56 N -3.58 0.26 0.12 1.92 3.00 -1.23 -3.51 118.16 115.13 3d54 n LYS 56 Ca -0.00 0.08 -0.24 0.00 -0.00 0.00 0.00 58.31 58.14 3d54 n LYS 56 Cb 0.63 -1.66 -0.16 0.00 0.00 0.00 0.00 35.03 33.84 3d54 n LYS 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3d54 h ALA 57 N 2.57 -0.08 0.00 3.14 0.00 -1.34 -3.24 119.26 120.31 3d54 h ALA 57 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 54.91 53.96 3d54 h ALA 57 Cb 0.71 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3d54 h ALA 57 CO 0.00 0.74 -0.17 -0.92 0.00 0.00 0.00 179.25 178.90 3d54 h TYR 58 N 0.09 0.00 -0.13 0.00 3.20 -1.52 -2.48 116.97 116.12 3d54 h TYR 58 Ca -0.27 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.49 3d54 h TYR 58 Cb 2.11 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.37 3d54 h TYR 58 CO 0.13 0.17 -0.38 0.93 -1.64 0.00 0.00 178.16 177.36 3d54 h GLU 59 N 0.00 0.29 -0.28 1.82 4.39 -1.59 -1.53 114.58 117.67 3d54 h GLU 59 Ca -0.00 -0.13 -0.15 0.00 0.34 0.00 0.00 59.36 59.42 3d54 h GLU 59 Cb 0.36 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3d54 h GLU 59 CO 0.02 0.63 -0.40 0.82 -1.16 0.00 0.00 179.01 178.92 3d54 h ILE 60 N 0.24 1.30 -0.04 3.13 2.04 -1.52 -1.69 117.51 120.97 3d54 h ILE 60 Ca 0.03 -1.59 -0.00 0.00 1.00 0.00 0.00 64.86 64.29 3d54 h ILE 60 Cb 0.79 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 3d54 h ILE 60 CO 0.06 0.51 0.01 0.58 0.00 0.00 0.00 178.15 179.32 3d54 h VAL 61 N 0.51 1.16 0.00 1.67 2.07 -1.47 -1.22 116.25 118.96 3d54 h VAL 61 Ca 0.03 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3d54 h VAL 61 Cb 0.99 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3d54 h VAL 61 CO 0.09 0.13 -0.06 0.50 0.02 0.00 0.00 177.57 178.25 3d54 h LYS 62 N -0.12 0.00 0.05 1.57 3.64 -1.25 -1.72 116.57 118.74 3d54 h LYS 62 Ca 0.01 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 3d54 h LYS 62 Cb 0.19 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3d54 h LYS 62 CO -0.00 0.06 -0.29 -0.22 -2.27 0.00 0.00 179.45 176.73 3d54 h LYS 63 N 0.00 0.11 -0.21 1.90 3.64 -0.85 -3.27 116.57 117.90 3d54 h LYS 63 Ca -0.00 -0.19 0.05 0.00 -1.27 0.00 0.00 60.65 59.24 3d54 h LYS 63 Cb 0.25 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3d54 h LYS 63 CO 0.01 1.08 0.15 0.00 -2.27 0.00 0.00 179.45 178.41 3d54 h ALA 64 N 0.05 2.15 0.00 5.00 0.00 -0.55 -1.08 119.26 124.83 3d54 h ALA 64 Ca -0.05 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 3d54 h ALA 64 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3d54 h ALA 64 CO 0.06 -0.21 -0.83 0.00 0.00 0.00 0.00 179.25 178.27 3d54 h GLU 66 N 0.03 0.26 -0.45 0.00 4.39 -1.25 -1.57 114.58 115.98 3d54 h GLU 66 Ca -0.02 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3d54 h GLU 66 Cb 1.45 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.26 3d54 h GLU 66 CO 0.11 1.11 0.00 -0.85 -1.16 0.00 0.00 179.01 178.23 3d54 n GLU 67 N -3.45 2.53 0.00 2.33 0.28 -0.99 -4.86 120.64 116.47 3d54 n GLU 67 Ca -0.19 -2.32 0.00 0.00 -0.16 0.00 0.00 57.16 54.49 3d54 n GLU 67 Cb 1.05 -1.52 0.00 0.00 1.43 0.00 0.00 31.44 32.40 3d54 n GLU 67 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3d54 n LEU 68 N 1.49 0.00 -0.15 -1.84 7.94 -0.95 -5.05 117.00 118.44 3d54 n LEU 68 Ca 0.20 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 55.04 3d54 n LEU 68 Cb 0.60 0.08 -0.00 0.00 0.53 0.00 0.00 43.42 44.63 3d54 n LEU 68 CO 0.16 -0.10 0.65 -0.07 -1.11 0.00 0.00 177.39 176.92 3d54 h LEU 69 N 0.00 -1.05 -9.35 -1.96 3.38 -1.49 -3.42 115.31 101.42 3d54 h LEU 69 Ca 0.00 0.20 -0.66 0.00 0.09 0.00 0.00 57.88 57.51 3d54 h LEU 69 Cb 0.00 0.52 -0.13 0.00 0.09 0.00 0.00 40.66 41.14 3d54 h LEU 69 CO 0.00 -0.30 -0.57 -0.69 0.09 0.00 0.00 178.44 176.97 3d54 s VAL 70 N -6.02 4.76 -0.58 1.22 1.01 -0.59 -5.04 120.40 115.15 3d54 s VAL 70 Ca -0.15 -0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 3d54 s VAL 70 Cb 0.15 -3.05 0.06 0.00 0.00 0.00 0.00 36.38 33.54 3d54 s VAL 70 CO 0.69 0.58 0.86 0.21 0.00 0.00 0.00 175.10 177.44 3d54 s ASN 71 N -0.66 6.24 0.00 3.32 2.47 -1.26 -4.65 114.94 120.39 3d54 s ASN 71 Ca 0.11 -0.81 0.00 0.00 0.42 0.00 0.00 52.86 52.58 3d54 s ASN 71 Cb -0.12 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 3d54 s ASN 71 CO 0.02 -1.22 0.70 -0.81 -3.72 0.00 0.00 177.10 172.07 3d54 n PRO 72 N 7.17 0.00 -0.04 0.43 -0.04 -1.26 -1.72 135.00 139.53 3d54 n PRO 72 Ca -0.03 0.23 -0.12 0.00 -0.04 0.00 0.00 63.50 63.54 3d54 n PRO 72 Cb 0.46 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 3d54 n PRO 72 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3d54 h VAL 73 N 0.00 1.41 0.00 0.52 2.07 -2.02 -3.41 116.25 114.82 3d54 h VAL 73 Ca 0.00 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.65 3d54 h VAL 73 Cb 0.06 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3d54 h VAL 73 CO 0.00 0.45 0.00 1.33 0.02 0.00 0.00 177.57 179.37 3d54 n VAL 74 N -4.70 0.17 -4.84 2.57 0.24 -1.14 -5.04 118.33 105.59 3d54 n VAL 74 Ca -0.08 -0.34 -0.32 0.00 -2.04 0.00 0.00 64.34 61.56 3d54 n VAL 74 Cb 0.36 1.24 -0.13 0.00 -1.47 0.00 0.00 33.84 33.85 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 -0.17 2.36 0.06 7.34 2.02 -0.70 -1.16 118.70 128.46 3d54 s GLU 75 Ca 0.00 -0.79 0.08 0.00 0.02 0.00 0.00 54.97 54.28 3d54 s GLU 75 Cb 0.00 -2.31 -0.03 0.00 0.10 0.00 0.00 34.13 31.89 3d54 s GLU 75 CO 0.00 0.60 -0.20 -1.83 0.02 0.00 0.00 175.26 173.85 3d54 s GLU 76 N -0.95 1.93 0.09 1.61 -1.05 0.06 -4.53 118.70 115.86 3d54 s GLU 76 Ca 0.13 -1.07 0.04 0.00 -0.15 0.00 0.00 54.97 53.92 3d54 s GLU 76 Cb -0.11 -2.12 -0.03 0.00 -0.44 0.00 0.00 34.13 31.43 3d54 s GLU 76 CO 0.02 0.52 -0.12 1.52 0.95 0.00 0.00 175.26 178.15 3d54 s TYR 77 N -0.96 1.13 -0.07 4.83 1.13 -1.26 -2.03 117.35 120.12 3d54 s TYR 77 Ca 0.15 -0.57 -0.03 0.00 -1.41 0.00 0.00 57.07 55.21 3d54 s TYR 77 Cb -0.10 -0.62 0.04 0.00 -1.10 0.00 0.00 41.96 40.18 3d54 s TYR 77 CO 0.06 0.03 0.09 -2.00 -2.51 0.00 0.00 175.55 171.22 3d54 s GLU 78 N -2.37 -0.03 -0.02 -3.49 2.12 -0.95 -5.02 118.70 108.94 3d54 s GLU 78 Ca 0.03 0.33 -0.02 0.00 0.36 0.00 0.00 54.97 55.67 3d54 s GLU 78 Cb -0.06 -0.71 -0.04 0.00 0.26 0.00 0.00 34.13 33.58 3d54 s GLU 78 CO 0.01 -0.39 0.11 0.54 -0.54 0.00 0.00 175.26 174.99 3d54 s VAL 79 N 2.19 5.00 0.13 3.70 0.11 -1.26 -1.92 120.40 128.34 3d54 s VAL 79 Ca 0.04 -0.27 -0.01 0.00 -2.93 0.00 0.00 61.98 58.81 3d54 s VAL 79 Cb -0.13 -3.29 -0.04 0.00 -1.53 0.00 0.00 36.38 31.39 3d54 s VAL 79 CO -0.05 0.38 0.04 0.00 -3.33 0.00 0.00 175.10 172.14 3d54 s ARG 80 N -1.71 0.92 0.39 1.54 1.70 -1.12 -5.02 118.95 115.65 3d54 s ARG 80 Ca 0.23 -1.43 0.02 0.00 -0.47 0.00 0.00 55.73 54.08 3d54 s ARG 80 Cb -0.12 0.17 -0.01 0.00 -0.57 0.00 0.00 34.95 34.41 3d54 s ARG 80 CO 0.14 -0.23 0.58 -1.21 -1.08 0.00 0.00 175.30 173.51 3d54 s GLU 81 N -4.02 3.22 0.00 3.89 2.02 -1.26 -1.88 118.70 120.67 3d54 s GLU 81 Ca 0.22 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.67 3d54 s GLU 81 Cb 0.07 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.65 3d54 s GLU 81 CO 0.01 -0.05 0.13 1.28 0.02 0.00 0.00 175.26 176.65