#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b6j s GLN 2 N 0.00 3.43 -0.19 0.54 0.74 -1.26 -5.10 119.66 117.83 1b6j s GLN 2 Ca 0.00 -0.63 -0.01 0.00 0.05 0.00 0.00 55.36 54.77 1b6j s GLN 2 Cb 0.00 -2.83 0.00 0.00 1.10 0.00 0.00 33.01 31.28 1b6j s GLN 2 CO 0.00 0.05 -0.13 0.42 -0.55 0.00 0.00 175.29 175.09 1b6j s ILE 3 N 0.80 2.75 0.69 -2.34 1.01 -1.26 -5.12 121.20 117.74 1b6j s ILE 3 Ca -0.03 -0.72 -0.10 0.00 0.00 0.00 0.00 60.65 59.80 1b6j s ILE 3 Cb -0.15 -2.20 0.02 0.00 0.01 0.00 0.00 42.46 40.14 1b6j s ILE 3 CO 0.01 0.49 1.06 0.42 0.00 0.00 0.00 174.94 176.92 1b6j s THR 4 N 1.19 3.37 -0.25 2.92 -4.23 -1.26 -5.02 115.64 112.36 1b6j s THR 4 Ca 0.02 0.32 0.12 0.00 -1.18 0.00 0.00 61.69 60.97 1b6j s THR 4 Cb -0.14 -3.42 0.55 0.00 1.34 0.00 0.00 72.50 70.83 1b6j s THR 4 CO -0.05 -0.52 1.51 0.18 -0.54 0.00 0.00 174.62 175.19 1b6j n LEU 5 N -2.94 4.36 0.18 4.79 4.77 -1.26 -4.55 117.00 122.36 1b6j n LEU 5 Ca 0.06 -3.36 0.03 0.00 -0.03 0.00 0.00 56.01 52.71 1b6j n LEU 5 Cb 0.58 -0.62 0.35 0.00 -2.33 0.00 0.00 43.42 41.40 1b6j n LEU 5 CO 0.56 0.93 0.70 -0.50 -1.33 0.00 0.00 177.39 177.75 1b6j h TRP 6 N 1.53 0.00 -2.80 -1.77 4.06 -2.06 -3.43 115.95 111.47 1b6j h TRP 6 Ca 0.15 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.59 1b6j h TRP 6 Cb 1.70 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.71 1b6j h TRP 6 CO 0.84 0.39 -0.75 -0.65 -3.56 0.00 0.00 178.44 174.71 1b6j s GLN 7 N -3.99 1.41 0.25 0.49 -0.21 -1.26 -5.10 119.66 111.25 1b6j s GLN 7 Ca -0.02 -1.60 -0.31 0.00 0.02 0.00 0.00 55.36 53.45 1b6j s GLN 7 Cb 0.13 -1.34 -0.12 0.00 1.00 0.00 0.00 33.01 32.68 1b6j s GLN 7 CO 0.71 0.24 1.56 0.54 -2.12 0.00 0.00 175.29 176.23 1b6j n ARG 8 N -0.29 2.47 -1.26 2.91 1.74 -1.26 -4.82 116.66 116.15 1b6j n ARG 8 Ca -0.08 0.88 -0.40 0.00 -0.77 0.00 0.00 57.85 57.48 1b6j n ARG 8 Cb 0.59 -2.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.36 1b6j n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1b6j n PRO 9 N 2.54 2.06 -3.14 5.56 -0.04 -1.26 -4.92 135.00 135.79 1b6j n PRO 9 Ca 0.11 -2.02 -0.39 0.00 -0.04 0.00 0.00 63.50 61.17 1b6j n PRO 9 Cb 0.34 -2.95 -0.05 0.00 -0.04 0.00 0.00 33.50 30.80 1b6j n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1b6j s LEU 10 N 1.25 4.35 0.15 1.53 1.43 -1.26 -1.26 118.68 124.86 1b6j s LEU 10 Ca 0.53 1.12 0.03 0.00 -1.03 0.00 0.00 54.13 54.78 1b6j s LEU 10 Cb 0.14 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1b6j s LEU 10 CO 0.03 -0.02 -0.05 0.68 0.23 0.00 0.00 176.35 177.23 1b6j s VAL 11 N 0.41 0.84 -0.02 -1.59 -7.23 -0.11 -4.93 120.40 107.77 1b6j s VAL 11 Ca 0.33 -1.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.29 1b6j s VAL 11 Cb -0.18 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 1b6j s VAL 11 CO 0.17 -0.67 0.64 -0.89 -0.31 0.00 0.00 175.10 174.03 1b6j s THR 12 N -3.54 4.94 0.20 5.32 2.01 -1.26 -0.83 115.64 122.48 1b6j s THR 12 Ca 0.18 1.33 0.10 0.00 0.31 0.00 0.00 61.69 63.61 1b6j s THR 12 Cb 0.05 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1b6j s THR 12 CO 0.00 0.36 -0.19 0.27 -0.69 0.00 0.00 174.62 174.37 1b6j s ILE 13 N 0.15 2.05 -0.13 1.82 -4.36 0.10 -4.68 121.20 116.14 1b6j s ILE 13 Ca 0.33 -2.08 0.03 0.00 -0.26 0.00 0.00 60.65 58.67 1b6j s ILE 13 Cb -0.18 -2.02 0.00 0.00 1.25 0.00 0.00 42.46 41.51 1b6j s ILE 13 CO 0.18 -0.33 -0.21 -0.13 0.24 0.00 0.00 174.94 174.68 1b6j s ARG 14 N -3.03 3.06 -0.12 0.37 0.52 0.01 -0.94 118.95 118.82 1b6j s ARG 14 Ca 0.21 -0.84 -0.09 0.00 -0.52 0.00 0.00 55.73 54.49 1b6j s ARG 14 Cb -0.05 -2.42 0.04 0.00 0.52 0.00 0.00 34.95 33.03 1b6j s ARG 14 CO 0.09 0.06 0.30 -1.50 0.02 0.00 0.00 175.30 174.27 1b6j s ILE 15 N 0.66 -0.02 -1.88 1.52 2.07 -0.05 -1.13 121.20 122.38 1b6j s ILE 15 Ca -0.11 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 1b6j s ILE 15 Cb -0.16 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 41.99 1b6j s ILE 15 CO 0.02 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 1b6j n GLY 16 N 3.58 1.69 1.41 1.50 0.00 -1.26 -0.38 105.19 111.72 1b6j n GLY 16 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1b6j n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6j n GLY 17 N -0.25 0.75 3.68 -0.02 0.00 -1.26 -5.06 105.19 103.04 1b6j n GLY 17 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 1b6j n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1b6j s GLN 18 N -0.48 2.45 -0.15 1.61 -1.52 0.49 -5.13 119.66 116.93 1b6j s GLN 18 Ca 0.00 -1.22 -0.06 0.00 -1.95 0.00 0.00 55.36 52.13 1b6j s GLN 18 Cb 0.00 -2.32 -0.04 0.00 -0.22 0.00 0.00 33.01 30.43 1b6j s GLN 18 CO 0.00 0.41 0.06 -0.51 -0.25 0.00 0.00 175.29 175.00 1b6j s LEU 19 N -3.38 3.87 0.07 2.90 1.02 -1.26 -0.87 118.68 121.03 1b6j s LEU 19 Ca 0.30 0.17 -0.07 0.00 0.02 0.00 0.00 54.13 54.55 1b6j s LEU 19 Cb -0.08 -1.95 -0.01 0.00 0.02 0.00 0.00 46.19 44.17 1b6j s LEU 19 CO 0.20 0.27 0.13 -0.54 0.02 0.00 0.00 176.35 176.43 1b6j s LYS 20 N -0.20 0.76 -0.18 1.70 1.02 -0.12 -4.98 119.74 117.75 1b6j s LYS 20 Ca 0.08 -0.99 -0.12 0.00 0.02 0.00 0.00 55.97 54.96 1b6j s LYS 20 Cb -0.12 0.30 -0.05 0.00 -0.52 0.00 0.00 37.83 37.44 1b6j s LYS 20 CO 0.01 -0.22 0.20 -1.21 -0.92 0.00 0.00 175.35 173.22 1b6j s GLU 21 N -3.73 4.18 0.01 1.68 0.41 -1.26 0.02 118.70 120.01 1b6j s GLU 21 Ca 0.04 -0.07 -0.01 0.00 -0.41 0.00 0.00 54.97 54.52 1b6j s GLU 21 Cb 0.05 -3.41 -0.01 0.00 -1.78 0.00 0.00 34.13 28.98 1b6j s GLU 21 CO -0.10 0.30 -0.00 0.00 -0.49 0.00 0.00 175.26 174.96 1b6j s ALA 22 N 0.33 0.04 -0.09 5.21 0.00 -0.01 -4.49 121.76 122.75 1b6j s ALA 22 Ca 0.12 -0.34 -0.23 0.00 0.00 0.00 0.00 51.96 51.51 1b6j s ALA 22 Cb -0.12 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1b6j s ALA 22 CO 0.01 -0.11 0.70 -1.17 0.00 0.00 0.00 175.76 175.19 1b6j s LEU 23 N -0.94 4.28 -0.43 0.00 2.96 0.09 -0.93 118.68 123.72 1b6j s LEU 23 Ca -0.10 1.15 -0.29 0.00 -0.22 0.00 0.00 54.13 54.66 1b6j s LEU 23 Cb -0.06 -3.07 0.02 0.00 0.50 0.00 0.00 46.19 43.57 1b6j s LEU 23 CO -0.00 -0.16 1.28 -0.76 -1.32 0.00 0.00 176.35 175.38 1b6j s LEU 24 N 1.04 3.65 -0.43 -0.68 1.43 -0.39 -0.33 118.68 122.97 1b6j s LEU 24 Ca 0.36 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.20 1b6j s LEU 24 Cb -0.17 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.62 1b6j s LEU 24 CO 0.17 -1.31 0.18 -0.62 0.23 0.00 0.00 176.35 175.00 1b6j s ASP 25 N 3.13 4.86 0.45 2.29 -1.08 -0.32 -4.80 116.67 121.20 1b6j s ASP 25 Ca 0.55 -2.39 0.30 0.00 -0.52 0.00 0.00 52.55 50.49 1b6j s ASP 25 Cb -0.11 -1.71 1.25 0.00 -1.46 0.00 0.00 42.92 40.88 1b6j s ASP 25 CO 0.31 -0.39 1.90 0.71 0.52 0.00 0.00 175.17 178.21 1b6j h THR 26 N 6.16 0.00 -0.36 1.71 1.35 -1.93 -2.64 112.91 117.20 1b6j h THR 26 Ca -0.07 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1b6j h THR 26 Cb 0.99 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1b6j h THR 26 CO 0.63 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 1b6j n GLY 27 N 0.01 0.80 3.35 5.82 0.00 -1.26 -4.83 105.19 109.08 1b6j n GLY 27 Ca 0.01 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 1b6j n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b6j s ALA 28 N -1.53 2.60 0.13 4.61 0.00 -0.99 -5.00 121.76 121.58 1b6j s ALA 28 Ca 0.29 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 1b6j s ALA 28 Cb 0.15 -1.23 -0.07 0.00 0.00 0.00 0.00 23.12 21.97 1b6j s ALA 28 CO 0.21 0.17 1.39 -0.44 0.00 0.00 0.00 175.76 177.08 1b6j h ASP 29 N 6.87 0.87 -1.49 0.00 3.32 -1.88 -0.33 116.42 123.79 1b6j h ASP 29 Ca -0.27 -0.51 -0.55 0.00 0.02 0.00 0.00 57.03 55.71 1b6j h ASP 29 Cb 1.21 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 40.43 1b6j h ASP 29 CO 0.56 1.30 -0.45 -1.81 -1.72 0.00 0.00 179.24 177.11 1b6j s ASP 30 N -7.01 4.59 -0.25 6.45 1.01 -1.26 -2.68 116.67 117.52 1b6j s ASP 30 Ca -0.10 -1.02 -0.09 0.00 0.71 0.00 0.00 52.55 52.06 1b6j s ASP 30 Cb 0.10 -0.43 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 1b6j s ASP 30 CO 0.88 -0.61 0.11 -0.89 0.21 0.00 0.00 175.17 174.87 1b6j s THR 31 N -2.58 4.74 -0.11 -1.27 2.01 -1.26 -2.92 115.64 114.25 1b6j s THR 31 Ca 0.42 -0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.40 1b6j s THR 31 Cb 0.02 -3.22 0.02 0.00 0.01 0.00 0.00 72.50 69.33 1b6j s THR 31 CO 0.23 0.33 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.69 1b6j s VAL 32 N 1.45 1.21 0.15 3.82 1.01 -0.83 -0.90 120.40 126.31 1b6j s VAL 32 Ca 0.06 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.68 1b6j s VAL 32 Cb -0.15 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1b6j s VAL 32 CO 0.06 0.39 -0.10 -0.76 0.00 0.00 0.00 175.10 174.68 1b6j s LEU 33 N 1.30 2.97 0.85 3.92 1.43 0.10 -0.93 118.68 128.32 1b6j s LEU 33 Ca -0.02 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 1b6j s LEU 33 Cb -0.14 -1.70 0.10 0.00 0.03 0.00 0.00 46.19 44.48 1b6j s LEU 33 CO -0.05 0.13 1.13 -1.61 0.23 0.00 0.00 176.35 176.19 1b6j s GLU 34 N -2.57 1.58 -0.13 1.70 2.02 -1.26 -1.49 118.70 118.55 1b6j s GLU 34 Ca 0.23 1.41 -0.40 0.00 0.02 0.00 0.00 54.97 56.23 1b6j s GLU 34 Cb -0.10 -1.80 -0.17 0.00 0.10 0.00 0.00 34.13 32.16 1b6j s GLU 34 CO 0.14 -2.19 1.46 0.39 0.02 0.00 0.00 175.26 175.08 1b6j n GLU 35 N -3.86 0.78 -3.46 1.61 4.71 -1.24 -4.59 120.64 114.59 1b6j n GLU 35 Ca 0.11 0.28 -0.12 0.00 -0.01 0.00 0.00 57.16 57.42 1b6j n GLU 35 Cb 0.52 -1.89 -0.03 0.00 -1.01 0.00 0.00 31.44 29.03 1b6j n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1b6j s MET 36 N 1.72 1.10 -0.07 3.49 0.23 -1.26 -5.04 119.30 119.47 1b6j s MET 36 Ca 0.93 -0.31 -0.20 0.00 -1.03 0.00 0.00 55.69 55.08 1b6j s MET 36 Cb -1.13 0.51 -0.04 0.00 -1.53 0.00 0.00 34.83 32.64 1b6j s MET 36 CO 0.60 -0.46 0.56 -0.80 -2.03 0.00 0.00 175.02 172.89 1b6j s ASN 37 N -2.41 6.85 -0.01 -1.18 0.01 -1.26 -5.05 114.94 111.89 1b6j s ASN 37 Ca 0.00 1.01 0.03 0.00 -0.71 0.00 0.00 52.86 53.20 1b6j s ASN 37 Cb -0.01 -2.34 -0.01 0.00 0.41 0.00 0.00 41.25 39.31 1b6j s ASN 37 CO -0.08 0.02 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.65 1b6j s LEU 38 N 0.35 1.98 0.62 0.60 1.43 -1.26 -5.03 118.68 117.37 1b6j s LEU 38 Ca 0.30 -0.21 -0.18 0.00 -1.03 0.00 0.00 54.13 53.02 1b6j s LEU 38 Cb -0.17 -0.59 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 1b6j s LEU 38 CO 0.14 0.13 1.20 -2.16 0.23 0.00 0.00 176.35 175.89 1b6j s PRO 39 N -0.18 2.82 0.00 1.29 0.04 -1.26 -4.88 135.00 132.82 1b6j s PRO 39 Ca 0.03 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1b6j s PRO 39 Cb -0.05 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1b6j s PRO 39 CO -0.00 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.13 1b6j n GLY 40 N 0.41 1.58 3.79 0.56 0.00 -1.26 -5.01 105.19 105.27 1b6j n GLY 40 Ca 0.13 -1.91 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 1b6j n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b6j s LYS 41 N -2.56 4.23 0.11 1.61 -0.14 -1.26 -5.07 119.74 116.65 1b6j s LYS 41 Ca 0.00 1.34 0.08 0.00 -1.36 0.00 0.00 55.97 56.03 1b6j s LYS 41 Cb 0.00 -2.44 -0.04 0.00 -1.68 0.00 0.00 37.83 33.68 1b6j s LYS 41 CO 0.00 -0.06 -0.20 1.67 -0.76 0.00 0.00 175.35 176.01 1b6j s TRP 42 N -1.84 1.75 -0.03 3.18 1.48 -1.26 -4.62 118.94 117.61 1b6j s TRP 42 Ca 0.59 -0.43 0.05 0.00 -1.06 0.00 0.00 56.10 55.24 1b6j s TRP 42 Cb -0.17 -0.94 -0.02 0.00 -1.16 0.00 0.00 33.47 31.17 1b6j s TRP 42 CO 0.22 0.22 -0.18 0.15 -4.06 0.00 0.00 176.95 173.30 1b6j s LYS 43 N -2.09 2.35 0.21 3.25 -0.14 -0.72 -4.86 119.74 117.74 1b6j s LYS 43 Ca 0.08 -0.79 -0.30 0.00 -1.36 0.00 0.00 55.97 53.60 1b6j s LYS 43 Cb -0.09 -2.26 -0.09 0.00 -1.68 0.00 0.00 37.83 33.71 1b6j s LYS 43 CO 0.05 0.60 1.29 -2.14 -0.76 0.00 0.00 175.35 174.38 1b6j s PRO 44 N -0.77 4.41 0.09 -1.68 0.02 -1.26 -0.35 135.00 135.46 1b6j s PRO 44 Ca 0.11 2.04 -0.06 0.00 0.02 0.00 0.00 61.00 63.12 1b6j s PRO 44 Cb -0.10 -3.19 -0.02 0.00 0.02 0.00 0.00 34.50 31.21 1b6j s PRO 44 CO 0.01 -0.21 0.12 0.15 -0.33 0.00 0.00 177.00 176.74 1b6j s LYS 45 N -0.35 0.82 -0.08 5.54 1.02 -0.53 -4.90 119.74 121.26 1b6j s LYS 45 Ca 0.55 -1.10 0.03 0.00 0.02 0.00 0.00 55.97 55.46 1b6j s LYS 45 Cb -0.36 0.30 0.01 0.00 -0.52 0.00 0.00 37.83 37.26 1b6j s LYS 45 CO 0.40 -0.24 -0.16 -1.64 -0.92 0.00 0.00 175.35 172.79 1b6j s MET 46 N -3.91 2.12 0.21 1.68 -1.94 -1.26 -0.14 119.30 116.06 1b6j s MET 46 Ca 0.09 -0.55 0.09 0.00 -1.71 0.00 0.00 55.69 53.61 1b6j s MET 46 Cb 0.06 -1.71 -0.05 0.00 2.01 0.00 0.00 34.83 35.14 1b6j s MET 46 CO -0.08 0.04 -0.17 0.96 -0.01 0.00 0.00 175.02 175.76 1b6j s ILE 47 N 0.66 1.93 0.05 2.53 -4.36 -0.89 -4.96 121.20 116.15 1b6j s ILE 47 Ca -0.14 -2.16 0.05 0.00 -0.26 0.00 0.00 60.65 58.15 1b6j s ILE 47 Cb -0.16 -2.03 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 1b6j s ILE 47 CO 0.04 -0.46 -0.08 -0.83 0.24 0.00 0.00 174.94 173.85 1b6j s GLY 48 N -3.14 1.76 0.00 6.27 0.00 -1.26 -1.23 107.32 109.72 1b6j s GLY 48 Ca 0.22 -1.12 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1b6j s GLY 48 CO 0.08 -1.03 0.00 0.61 0.00 0.00 0.00 173.10 172.77 1b6j n GLY 49 N 1.22 5.34 0.27 0.20 0.00 0.11 -4.98 105.19 107.35 1b6j n GLY 49 Ca -0.14 -1.80 -0.02 0.00 0.00 0.00 0.00 46.02 44.05 1b6j n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b6j h ILE 50 N 0.46 1.23 -0.01 -0.61 6.09 -2.02 -3.10 117.51 119.56 1b6j h ILE 50 Ca 0.00 -0.94 0.00 0.00 -1.37 0.00 0.00 64.86 62.55 1b6j h ILE 50 Cb 0.00 0.96 0.00 0.00 0.47 0.00 0.00 36.82 38.25 1b6j h ILE 50 CO 0.00 0.32 -0.33 0.61 -3.07 0.00 0.00 178.15 175.69 1b6j n GLY 51 N -0.71 -0.46 0.00 8.18 0.00 -1.26 -5.06 105.19 105.87 1b6j n GLY 51 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1b6j n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6j n GLY 52 N 1.36 0.96 3.86 -0.02 0.00 -1.17 -5.10 105.19 105.08 1b6j n GLY 52 Ca 0.11 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 1b6j n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b6j s PHE 53 N -2.93 3.46 0.14 1.61 0.40 -1.26 0.07 117.98 119.48 1b6j s PHE 53 Ca 0.00 0.31 0.05 0.00 -0.60 0.00 0.00 56.93 56.68 1b6j s PHE 53 Cb 0.00 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.69 1b6j s PHE 53 CO 0.00 0.62 -0.10 0.96 0.70 0.00 0.00 175.22 177.39 1b6j s ILE 54 N -1.28 1.17 -0.12 0.64 -4.36 -0.37 -4.99 121.20 111.89 1b6j s ILE 54 Ca 0.26 -2.04 -0.14 0.00 -0.26 0.00 0.00 60.65 58.48 1b6j s ILE 54 Cb -0.12 -1.82 -0.05 0.00 1.25 0.00 0.00 42.46 41.72 1b6j s ILE 54 CO 0.17 -0.73 0.31 -0.54 0.24 0.00 0.00 174.94 174.40 1b6j s LYS 55 N -3.68 4.10 0.26 0.37 1.02 -1.26 -2.09 119.74 118.46 1b6j s LYS 55 Ca 0.16 0.16 0.03 0.00 0.02 0.00 0.00 55.97 56.34 1b6j s LYS 55 Cb 0.02 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 1b6j s LYS 55 CO 0.01 0.38 0.03 0.14 -0.92 0.00 0.00 175.35 174.99 1b6j s VAL 56 N -0.00 0.97 -0.20 3.17 -7.23 0.80 -4.56 120.40 113.35 1b6j s VAL 56 Ca 0.19 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.27 1b6j s VAL 56 Cb -0.14 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 1b6j s VAL 56 CO 0.06 -0.19 0.04 -0.13 -0.31 0.00 0.00 175.10 174.57 1b6j s ARG 57 N -3.90 3.77 -0.28 4.82 0.52 0.25 -1.45 118.95 122.67 1b6j s ARG 57 Ca 0.32 -0.44 -0.13 0.00 -0.52 0.00 0.00 55.73 54.95 1b6j s ARG 57 Cb 0.07 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.32 1b6j s ARG 57 CO 0.11 0.08 0.29 -1.14 0.02 0.00 0.00 175.30 174.66 1b6j s GLN 58 N 0.87 3.96 -0.17 3.54 0.74 0.52 -1.04 119.66 128.08 1b6j s GLN 58 Ca 0.02 -0.14 -0.02 0.00 0.05 0.00 0.00 55.36 55.27 1b6j s GLN 58 Cb -0.14 -3.67 -0.01 0.00 1.10 0.00 0.00 33.01 30.29 1b6j s GLN 58 CO 0.02 -0.25 -0.08 0.71 -0.55 0.00 0.00 175.29 175.14 1b6j s TYR 59 N 1.93 2.90 0.22 1.67 2.02 -0.25 -1.75 117.35 124.10 1b6j s TYR 59 Ca 0.11 -0.71 0.04 0.00 -0.37 0.00 0.00 57.07 56.15 1b6j s TYR 59 Cb -0.16 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.41 1b6j s TYR 59 CO 0.10 -0.31 0.35 -0.51 -1.57 0.00 0.00 175.55 173.61 1b6j s ASP 60 N 0.77 6.32 -1.47 2.29 1.01 -1.26 -0.31 116.67 124.03 1b6j s ASP 60 Ca -0.03 0.10 -0.02 0.00 0.71 0.00 0.00 52.55 53.31 1b6j s ASP 60 Cb -0.15 -1.88 0.02 0.00 1.01 0.00 0.00 42.92 41.92 1b6j s ASP 60 CO 0.01 -0.05 0.35 1.67 0.21 0.00 0.00 175.17 177.37 1b6j n GLN 61 N -1.22 -2.69 -3.56 8.23 7.27 -1.19 -4.88 117.38 119.35 1b6j n GLN 61 Ca -0.08 0.32 -0.38 0.00 0.07 0.00 0.00 57.00 56.93 1b6j n GLN 61 Cb 0.56 -4.35 -0.10 0.00 2.41 0.00 0.00 30.24 28.77 1b6j n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1b6j s ILE 62 N -4.00 5.30 0.15 1.69 -1.09 0.24 -4.72 121.20 118.76 1b6j s ILE 62 Ca 0.07 0.31 -0.30 0.00 -2.23 0.00 0.00 60.65 58.49 1b6j s ILE 62 Cb -0.04 -3.57 -0.08 0.00 -1.58 0.00 0.00 42.46 37.19 1b6j s ILE 62 CO 0.92 0.28 1.25 -2.84 -1.23 0.00 0.00 174.94 173.32 1b6j s PRO 63 N 1.46 4.43 -0.03 2.79 0.02 -1.26 -1.74 135.00 140.67 1b6j s PRO 63 Ca 0.10 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.05 1b6j s PRO 63 Cb -0.15 -3.25 0.03 0.00 0.02 0.00 0.00 34.50 31.14 1b6j s PRO 63 CO 0.08 -0.22 0.00 0.08 -0.33 0.00 0.00 177.00 176.61 1b6j s VAL 64 N 0.41 0.19 -0.32 3.83 1.01 0.81 -4.44 120.40 121.90 1b6j s VAL 64 Ca 0.57 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.52 1b6j s VAL 64 Cb -0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.74 1b6j s VAL 64 CO 0.34 0.15 0.19 -0.70 0.00 0.00 0.00 175.10 175.09 1b6j s GLU 65 N 1.08 3.52 -0.35 2.72 2.12 -0.28 -1.47 118.70 126.04 1b6j s GLU 65 Ca -0.09 -0.61 0.07 0.00 0.36 0.00 0.00 54.97 54.70 1b6j s GLU 65 Cb -0.13 -3.68 0.58 0.00 0.26 0.00 0.00 34.13 31.16 1b6j s GLU 65 CO -0.02 -0.38 1.66 -0.89 -0.54 0.00 0.00 175.26 175.09 1b6j n ILE 66 N 5.05 2.82 0.00 -3.70 5.41 -1.26 -0.81 119.36 126.87 1b6j n ILE 66 Ca -0.13 -2.37 0.00 0.00 1.00 0.00 0.00 62.75 61.24 1b6j n ILE 66 Cb 0.50 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 1b6j n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1b6j n GLY 68 N -1.09 0.00 3.72 7.39 0.00 -1.26 -4.75 105.19 109.20 1b6j n GLY 68 Ca 0.44 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 1b6j n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b6j s HIS 69 N -0.06 3.48 0.28 1.61 4.02 -1.26 -5.07 115.29 118.29 1b6j s HIS 69 Ca 0.00 0.75 -0.25 0.00 1.02 0.00 0.00 55.06 56.59 1b6j s HIS 69 Cb 0.00 -2.46 -0.09 0.00 -1.02 0.00 0.00 32.58 29.00 1b6j s HIS 69 CO 0.00 0.19 0.87 -1.59 1.02 0.00 0.00 174.74 175.23 1b6j s LYS 70 N 0.60 4.51 -0.01 1.40 0.00 -1.26 -4.34 119.74 120.63 1b6j s LYS 70 Ca 0.22 1.20 -0.17 0.00 0.00 0.00 0.00 55.97 57.22 1b6j s LYS 70 Cb -0.14 -2.89 0.03 0.00 0.00 0.00 0.00 37.83 34.83 1b6j s LYS 70 CO 0.07 0.35 0.36 0.00 0.00 0.00 0.00 175.35 176.13 1b6j s ALA 71 N -1.52 -0.91 -0.16 0.59 0.00 -0.54 -4.65 121.76 114.57 1b6j s ALA 71 Ca 0.46 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.81 1b6j s ALA 71 Cb -0.19 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.08 1b6j s ALA 71 CO 0.24 -0.29 0.11 0.42 0.00 0.00 0.00 175.76 176.24 1b6j s ILE 72 N -1.43 -0.14 0.00 0.00 1.01 -1.26 -0.13 121.20 119.25 1b6j s ILE 72 Ca -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1b6j s ILE 72 Cb -0.04 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.90 1b6j s ILE 72 CO 0.04 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.40 1b6j n GLY 73 N 5.29 2.01 3.71 6.18 0.00 -0.71 -4.77 105.19 116.90 1b6j n GLY 73 Ca -0.06 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1b6j n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b6j s THR 74 N -2.78 3.89 -0.08 2.61 2.01 -1.26 -0.59 115.64 119.44 1b6j s THR 74 Ca 0.00 1.37 0.03 0.00 0.31 0.00 0.00 61.69 63.40 1b6j s THR 74 Cb 0.00 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.64 1b6j s THR 74 CO 0.00 0.11 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.19 1b6j s VAL 75 N 1.00 1.49 -0.09 3.82 1.01 0.58 -4.52 120.40 123.70 1b6j s VAL 75 Ca 0.59 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1b6j s VAL 75 Cb -0.31 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1b6j s VAL 75 CO 0.30 0.43 0.06 -0.76 0.00 0.00 0.00 175.10 175.14 1b6j s LEU 76 N 0.55 3.93 -0.11 3.92 1.43 -0.08 -1.09 118.68 127.23 1b6j s LEU 76 Ca -0.16 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 1b6j s LEU 76 Cb -0.17 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.08 1b6j s LEU 76 CO 0.06 0.37 -0.19 -0.69 0.23 0.00 0.00 176.35 176.13 1b6j s VAL 77 N -0.98 1.80 -0.03 -1.59 1.01 -0.21 0.02 120.40 120.42 1b6j s VAL 77 Ca 0.15 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.09 1b6j s VAL 77 Cb -0.12 -1.60 0.07 0.00 0.00 0.00 0.00 36.38 34.73 1b6j s VAL 77 CO 0.05 0.50 0.94 0.61 0.00 0.00 0.00 175.10 177.20 1b6j n GLY 78 N 3.97 0.29 3.57 4.51 0.00 -0.56 -0.58 105.19 116.39 1b6j n GLY 78 Ca -0.20 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 1b6j n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b6j s PRO 79 N -2.01 2.50 0.01 1.61 0.04 -1.26 -3.72 135.00 132.17 1b6j s PRO 79 Ca 0.22 -0.61 0.07 0.00 0.04 0.00 0.00 61.00 60.72 1b6j s PRO 79 Cb -0.00 -5.12 -0.03 0.00 0.04 0.00 0.00 34.50 29.38 1b6j s PRO 79 CO -0.01 -3.64 -0.19 -0.08 0.04 0.00 0.00 177.00 173.12 1b6j s THR 80 N 10.57 2.69 0.48 1.26 -1.32 -1.26 -5.03 115.64 123.03 1b6j s THR 80 Ca 0.70 -1.09 0.24 0.00 -1.21 0.00 0.00 61.69 60.32 1b6j s THR 80 Cb -0.05 -2.08 0.28 0.00 -1.51 0.00 0.00 72.50 69.14 1b6j s THR 80 CO 0.05 0.43 2.11 1.55 -2.21 0.00 0.00 174.62 176.54 1b6j h PRO 81 N 4.86 0.00 -2.93 7.08 0.13 -1.99 -3.45 132.00 135.71 1b6j h PRO 81 Ca -0.47 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 1b6j h PRO 81 Cb 1.15 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.09 1b6j h PRO 81 CO 0.48 0.10 -0.19 0.54 -0.23 0.00 0.00 178.00 178.70 1b6j s VAL 82 N -4.49 0.05 0.11 1.56 0.11 -1.26 -5.11 120.40 111.37 1b6j s VAL 82 Ca -0.04 -0.44 -0.31 0.00 -2.93 0.00 0.00 61.98 58.27 1b6j s VAL 82 Cb 0.15 -0.75 -0.07 0.00 -1.53 0.00 0.00 36.38 34.17 1b6j s VAL 82 CO 0.61 -0.24 1.33 0.20 -3.33 0.00 0.00 175.10 173.67 1b6j s ASN 83 N -1.49 6.90 -0.02 3.54 0.01 -1.26 -4.79 114.94 117.83 1b6j s ASN 83 Ca -0.11 2.25 0.05 0.00 -0.71 0.00 0.00 52.86 54.34 1b6j s ASN 83 Cb -0.03 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 1b6j s ASN 83 CO 0.03 -0.58 -0.17 0.27 -1.51 0.00 0.00 177.10 175.14 1b6j s ILE 84 N 0.95 1.36 -0.36 0.60 -4.36 -0.10 -0.73 121.20 118.56 1b6j s ILE 84 Ca 0.62 -0.72 -0.11 0.00 -0.26 0.00 0.00 60.65 60.18 1b6j s ILE 84 Cb -0.35 -1.14 0.02 0.00 1.25 0.00 0.00 42.46 42.24 1b6j s ILE 84 CO 0.31 0.39 0.21 -0.63 0.24 0.00 0.00 174.94 175.46 1b6j s ILE 85 N -0.26 4.71 0.56 8.37 -1.09 0.55 -1.96 121.20 132.09 1b6j s ILE 85 Ca 0.03 -0.71 -0.02 0.00 -2.23 0.00 0.00 60.65 57.72 1b6j s ILE 85 Cb -0.08 -3.57 0.11 0.00 -1.58 0.00 0.00 42.46 37.34 1b6j s ILE 85 CO 0.00 -0.17 0.76 0.61 -1.23 0.00 0.00 174.94 174.91 1b6j n GLY 86 N 5.02 0.30 0.30 6.18 0.00 -1.15 -1.17 105.19 114.68 1b6j n GLY 86 Ca -0.12 -1.95 0.15 0.00 0.00 0.00 0.00 46.02 44.09 1b6j n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1b6j h ARG 87 N 0.00 0.00 -0.39 1.61 3.08 -1.07 -1.42 114.38 116.18 1b6j h ARG 87 Ca -0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1b6j h ARG 87 Cb 0.87 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.90 1b6j h ARG 87 CO 0.25 0.00 0.22 -2.95 -1.07 0.00 0.00 179.97 176.42 1b6j h ASN 88 N 0.00 0.47 0.03 7.04 -1.07 -1.78 -2.26 115.58 118.01 1b6j h ASN 88 Ca 0.02 -0.03 -0.37 0.00 0.07 0.00 0.00 56.30 56.00 1b6j h ASN 88 Cb 0.12 -0.12 -0.07 0.00 -2.07 0.00 0.00 38.32 36.19 1b6j h ASN 88 CO -0.00 0.38 -2.36 0.18 0.07 0.00 0.00 177.43 175.70 1b6j n LEU 89 N -4.44 0.38 -0.10 6.14 4.77 -0.88 -4.24 117.00 118.63 1b6j n LEU 89 Ca 0.03 0.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.03 1b6j n LEU 89 Cb 0.09 0.32 0.31 0.00 -2.33 0.00 0.00 43.42 41.82 1b6j n LEU 89 CO 0.36 0.54 1.15 -0.07 -1.33 0.00 0.00 177.39 178.04 1b6j h LEU 90 N 0.00 0.67 -0.94 2.23 3.38 -1.17 -1.83 115.31 117.65 1b6j h LEU 90 Ca -0.54 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.29 1b6j h LEU 90 Cb 2.20 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.77 1b6j h LEU 90 CO 0.02 0.53 -0.33 0.71 0.09 0.00 0.00 178.44 179.46 1b6j h THR 91 N 0.77 1.28 -0.20 0.22 1.35 -1.61 -2.80 112.91 111.92 1b6j h THR 91 Ca 0.20 -1.37 -0.06 0.00 -0.55 0.00 0.00 66.41 64.63 1b6j h THR 91 Cb -0.01 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 1b6j h THR 91 CO -0.04 0.42 -0.14 1.56 -0.25 0.00 0.00 175.52 177.08 1b6j h GLN 92 N 0.33 0.33 -0.31 4.72 4.20 -1.51 -2.39 115.11 120.48 1b6j h GLN 92 Ca 0.04 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1b6j h GLN 92 Cb 0.74 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1b6j h GLN 92 CO 0.06 0.47 0.00 0.44 -0.67 0.00 0.00 178.83 179.13 1b6j n ILE 93 N -4.24 0.40 -1.60 2.54 -5.35 -1.11 -4.95 119.36 105.05 1b6j n ILE 93 Ca -0.00 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 1b6j n ILE 93 Cb 0.30 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.76 1b6j n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b6j n GLY 94 N 1.28 -4.44 0.00 3.28 0.00 -0.90 -5.10 105.19 99.31 1b6j n GLY 94 Ca 0.17 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1b6j n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b6j n THR 96 N 0.97 0.00 -3.94 2.61 -2.24 -1.26 -5.03 114.28 105.39 1b6j n THR 96 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1b6j n THR 96 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 1b6j n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1b6j s LEU 97 N 0.00 4.07 0.02 3.22 1.43 -1.26 -5.10 118.68 121.06 1b6j s LEU 97 Ca 0.00 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1b6j s LEU 97 Cb 0.00 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1b6j s LEU 97 CO 0.00 0.27 -0.09 0.20 0.23 0.00 0.00 176.35 176.96 1b6j s ASN 98 N -0.20 1.01 0.00 2.29 0.01 -1.26 -5.30 114.94 111.49 1b6j s ASN 98 Ca 0.09 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 51.90 1b6j s ASN 98 Cb -0.12 -0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.49 1b6j s ASN 98 CO 0.01 -0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.79