#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b5b s LYS 2 N 0.00 2.17 0.00 -1.24 -2.85 -1.26 -4.77 119.74 111.79 1b5b s LYS 2 Ca 0.00 -2.36 0.00 0.00 -1.00 0.00 0.00 55.97 52.61 1b5b s LYS 2 Cb 0.00 -1.56 0.00 0.00 -2.06 0.00 0.00 37.83 34.21 1b5b s LYS 2 CO 0.00 -0.33 0.00 -0.25 0.10 0.00 0.00 175.35 174.87 1b5b n ASP 3 N -1.24 0.00 -4.14 0.03 8.00 -1.26 -4.91 116.55 113.03 1b5b n ASP 3 Ca -0.17 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 54.98 1b5b n ASP 3 Cb 0.67 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.83 1b5b n ASP 3 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1b5b n VAL 4 N 0.00 0.04 -4.80 2.53 3.14 -1.26 -4.96 118.33 113.02 1b5b n VAL 4 Ca 0.00 -0.41 -0.33 0.00 -2.96 0.00 0.00 64.34 60.64 1b5b n VAL 4 Cb 0.00 -0.20 -0.12 0.00 -1.06 0.00 0.00 33.84 32.46 1b5b n VAL 4 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1b5b s LYS 5 N -2.46 2.58 -0.23 1.45 -0.14 -1.26 -5.03 119.74 114.65 1b5b s LYS 5 Ca 0.46 -0.65 -0.06 0.00 -1.36 0.00 0.00 55.97 54.36 1b5b s LYS 5 Cb -0.20 -2.45 -0.03 0.00 -1.68 0.00 0.00 37.83 33.48 1b5b s LYS 5 CO 0.77 0.64 0.04 0.71 -0.76 0.00 0.00 175.35 176.75 1b5b s TYR 6 N -0.76 3.07 0.23 3.18 1.51 -1.26 -1.42 117.35 121.89 1b5b s TYR 6 Ca 0.12 -0.46 0.07 0.00 -1.01 0.00 0.00 57.07 55.78 1b5b s TYR 6 Cb -0.11 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 1b5b s TYR 6 CO 0.01 -0.32 0.19 0.71 -1.11 0.00 0.00 175.55 175.03 1b5b s TYR 7 N 1.38 3.13 0.31 2.71 2.02 0.22 -4.74 117.35 122.39 1b5b s TYR 7 Ca 0.05 -0.09 0.10 0.00 -0.37 0.00 0.00 57.07 56.76 1b5b s TYR 7 Cb -0.15 -1.43 -0.05 0.00 -0.40 0.00 0.00 41.96 39.93 1b5b s TYR 7 CO 0.02 0.52 -0.04 0.95 -1.57 0.00 0.00 175.55 175.44 1b5b s THR 8 N -2.05 2.76 0.06 -0.71 -4.23 -1.26 0.12 115.64 110.33 1b5b s THR 8 Ca 0.32 -2.05 -0.21 0.00 -1.18 0.00 0.00 61.69 58.58 1b5b s THR 8 Cb -0.08 -2.71 -0.12 0.00 1.34 0.00 0.00 72.50 70.93 1b5b s THR 8 CO 0.25 -0.28 1.46 0.25 -0.54 0.00 0.00 174.62 175.76 1b5b h LEU 9 N 1.92 0.31 -1.44 4.79 5.85 -1.96 -1.23 115.31 123.54 1b5b h LEU 9 Ca -0.43 -0.35 0.34 0.00 0.84 0.00 0.00 57.88 58.28 1b5b h LEU 9 Cb 1.25 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.10 1b5b h LEU 9 CO 0.64 0.59 0.76 -0.08 -0.34 0.00 0.00 178.44 180.01 1b5b h GLU 10 N 0.02 0.23 0.04 1.25 4.81 -1.99 0.53 114.58 119.47 1b5b h GLU 10 Ca 0.04 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1b5b h GLU 10 Cb 0.45 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1b5b h GLU 10 CO 0.01 0.15 -0.02 1.49 -0.73 0.00 0.00 179.01 179.92 1b5b h GLU 11 N 0.24 -0.05 -0.91 1.92 4.57 -1.90 -3.33 114.58 115.13 1b5b h GLU 11 Ca 0.68 0.00 0.25 0.00 -1.18 0.00 0.00 59.36 59.11 1b5b h GLU 11 Cb 1.99 0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 30.45 1b5b h GLU 11 CO -0.31 0.21 0.33 0.82 -1.18 0.00 0.00 179.01 178.87 1b5b h ILE 12 N -1.00 0.33 -1.42 2.32 2.04 0.03 0.80 117.51 120.61 1b5b h ILE 12 Ca -0.00 -0.09 0.46 0.00 1.00 0.00 0.00 64.86 66.23 1b5b h ILE 12 Cb 0.27 0.05 -0.12 0.00 -0.74 0.00 0.00 36.82 36.28 1b5b h ILE 12 CO 0.01 0.05 0.94 -0.61 0.00 0.00 0.00 178.15 178.54 1b5b h GLN 13 N 0.26 0.05 0.83 2.37 4.15 -0.10 0.35 115.11 123.02 1b5b h GLN 13 Ca 0.59 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.97 1b5b h GLN 13 Cb 1.22 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.91 1b5b h GLN 13 CO -0.63 0.03 -0.40 0.87 -1.93 0.00 0.00 178.83 176.77 1b5b h LYS 14 N 0.05 -1.07 -3.58 1.69 1.79 0.48 -3.14 116.57 112.79 1b5b h LYS 14 Ca 0.84 0.07 -0.63 0.00 -2.18 0.00 0.00 60.65 58.76 1b5b h LYS 14 Cb 2.79 0.24 0.01 0.00 -1.58 0.00 0.00 32.23 33.69 1b5b h LYS 14 CO -0.36 -0.72 3.21 0.72 -1.08 0.00 0.00 179.45 181.22 1b5b n HIS 15 N -5.01 2.49 -1.55 -1.35 8.25 0.12 -4.34 115.22 113.84 1b5b n HIS 15 Ca -0.14 -2.68 0.03 0.00 -0.26 0.00 0.00 57.72 54.67 1b5b n HIS 15 Cb 0.44 -2.26 0.21 0.00 1.12 0.00 0.00 29.99 29.50 1b5b n HIS 15 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1b5b n LYS 16 N 4.91 1.65 -4.39 -0.41 4.81 -1.10 -2.82 118.16 120.81 1b5b n LYS 16 Ca 0.61 -3.26 -0.23 0.00 -0.87 0.00 0.00 58.31 54.56 1b5b n LYS 16 Cb 0.28 -1.67 -0.11 0.00 0.02 0.00 0.00 35.03 33.56 1b5b n LYS 16 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1b5b s ASP 17 N -3.05 3.05 0.21 3.14 -1.08 -1.02 -4.84 116.67 113.08 1b5b s ASP 17 Ca 0.40 -0.94 -0.21 0.00 -0.52 0.00 0.00 52.55 51.28 1b5b s ASP 17 Cb 0.38 -0.21 0.16 0.00 -1.46 0.00 0.00 42.92 41.79 1b5b s ASP 17 CO -0.05 -0.01 1.55 -0.24 0.52 0.00 0.00 175.17 176.94 1b5b n SER 18 N -0.08 -0.75 -0.36 -0.34 2.88 -1.26 0.71 113.62 114.42 1b5b n SER 18 Ca -0.10 1.75 0.01 0.00 -1.33 0.00 0.00 58.87 59.21 1b5b n SER 18 Cb 0.58 -0.36 0.07 0.00 -0.75 0.00 0.00 64.21 63.76 1b5b n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1b5b n LYS 19 N -5.41 -0.18 -3.58 -1.46 5.02 -1.26 -3.50 118.16 107.79 1b5b n LYS 19 Ca 0.08 1.49 -0.29 0.00 -2.02 0.00 0.00 58.31 57.57 1b5b n LYS 19 Cb 0.37 -2.22 -0.14 0.00 -0.02 0.00 0.00 35.03 33.02 1b5b n LYS 19 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1b5b s SER 20 N -5.31 3.47 -0.21 4.39 0.01 0.22 -4.93 113.70 111.33 1b5b s SER 20 Ca -0.14 -1.90 -0.08 0.00 1.31 0.00 0.00 55.95 55.15 1b5b s SER 20 Cb 0.22 -0.59 -0.04 0.00 0.21 0.00 0.00 66.02 65.82 1b5b s SER 20 CO 0.71 -0.36 0.07 0.28 0.41 0.00 0.00 173.24 174.35 1b5b s THR 21 N 1.35 4.64 0.25 1.44 -1.32 -0.58 -2.45 115.64 118.97 1b5b s THR 21 Ca 0.14 -0.07 0.11 0.00 -1.21 0.00 0.00 61.69 60.66 1b5b s THR 21 Cb -0.20 -3.13 -0.05 0.00 -1.51 0.00 0.00 72.50 67.61 1b5b s THR 21 CO -0.15 0.40 -0.20 0.26 -2.21 0.00 0.00 174.62 172.71 1b5b s TRP 22 N 0.93 2.22 -0.15 9.09 0.51 -1.13 -2.31 118.94 128.11 1b5b s TRP 22 Ca 0.04 -0.36 -0.13 0.00 -2.12 0.00 0.00 56.10 53.53 1b5b s TRP 22 Cb -0.14 -1.01 0.04 0.00 -0.81 0.00 0.00 33.47 31.56 1b5b s TRP 22 CO 0.03 0.62 0.39 0.08 -0.51 0.00 0.00 176.95 177.56 1b5b s VAL 23 N -2.32 -0.00 -0.17 4.03 1.01 -1.26 0.18 120.40 121.87 1b5b s VAL 23 Ca 0.26 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 1b5b s VAL 23 Cb -0.05 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1b5b s VAL 23 CO 0.13 0.01 0.09 -0.51 0.00 0.00 0.00 175.10 174.82 1b5b s ILE 24 N 0.37 5.08 -0.16 2.22 1.10 -1.24 -3.18 121.20 125.39 1b5b s ILE 24 Ca -0.01 0.06 -0.11 0.00 -0.51 0.00 0.00 60.65 60.08 1b5b s ILE 24 Cb -0.04 -3.27 0.05 0.00 0.15 0.00 0.00 42.46 39.35 1b5b s ILE 24 CO -0.01 0.50 0.41 -1.48 -2.11 0.00 0.00 174.94 172.24 1b5b s LEU 25 N 0.00 0.12 -1.09 8.50 2.34 0.48 -3.18 118.68 125.84 1b5b s LEU 25 Ca 0.08 0.86 -0.11 0.00 0.06 0.00 0.00 54.13 55.02 1b5b s LEU 25 Cb -0.12 1.36 -0.04 0.00 -0.56 0.00 0.00 46.19 46.83 1b5b s LEU 25 CO 0.00 -0.17 0.87 1.57 -1.06 0.00 0.00 176.35 177.56 1b5b n HIS 26 N 3.73 -2.24 -3.91 3.48 -0.00 -1.25 -1.85 115.22 113.17 1b5b n HIS 26 Ca -0.20 0.71 -0.28 0.00 -0.00 0.00 0.00 57.72 57.96 1b5b n HIS 26 Cb 0.56 -3.91 -0.07 0.00 -0.00 0.00 0.00 29.99 26.57 1b5b n HIS 26 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1b5b n HIS 27 N -3.63 -0.96 -3.65 1.57 -0.00 -1.09 -4.86 115.22 102.60 1b5b n HIS 27 Ca -0.09 0.50 -0.12 0.00 -0.00 0.00 0.00 57.72 58.01 1b5b n HIS 27 Cb 0.61 -1.92 -0.08 0.00 -0.00 0.00 0.00 29.99 28.61 1b5b n HIS 27 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1b5b s LYS 28 N -6.24 0.71 0.05 1.57 1.02 -0.77 -4.39 119.74 111.70 1b5b s LYS 28 Ca 0.25 0.99 0.01 0.00 0.02 0.00 0.00 55.97 57.23 1b5b s LYS 28 Cb -0.14 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.40 1b5b s LYS 28 CO 0.79 -0.11 0.13 0.54 -0.92 0.00 0.00 175.35 175.78 1b5b s VAL 29 N 0.80 4.93 0.24 3.17 0.11 -1.25 -0.39 120.40 128.01 1b5b s VAL 29 Ca -0.04 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.50 1b5b s VAL 29 Cb -0.05 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.40 1b5b s VAL 29 CO -0.06 0.19 0.18 -0.31 -3.33 0.00 0.00 175.10 171.76 1b5b s TYR 30 N -1.39 1.31 -0.38 1.54 2.02 -1.19 -3.81 117.35 115.46 1b5b s TYR 30 Ca 0.30 -1.45 -0.19 0.00 -0.37 0.00 0.00 57.07 55.36 1b5b s TYR 30 Cb -0.12 -0.59 0.01 0.00 -0.40 0.00 0.00 41.96 40.85 1b5b s TYR 30 CO 0.22 -0.71 0.55 0.34 -1.57 0.00 0.00 175.55 174.38 1b5b s ASP 31 N -3.22 6.31 -0.14 2.29 -1.08 -1.17 -4.08 116.67 115.59 1b5b s ASP 31 Ca 0.39 -0.16 0.01 0.00 -0.52 0.00 0.00 52.55 52.27 1b5b s ASP 31 Cb 0.06 -2.28 -0.24 0.00 -1.46 0.00 0.00 42.92 39.00 1b5b s ASP 31 CO 0.16 -0.57 0.28 0.18 0.52 0.00 0.00 175.17 175.74 1b5b n LEU 32 N 5.88 2.11 -0.33 -1.34 7.99 -1.18 -3.52 117.00 126.60 1b5b n LEU 32 Ca -0.04 0.16 0.16 0.00 -0.01 0.00 0.00 56.01 56.28 1b5b n LEU 32 Cb 0.48 -0.67 0.35 0.00 -0.11 0.00 0.00 43.42 43.48 1b5b n LEU 32 CO 0.48 0.75 1.13 0.74 -1.51 0.00 0.00 177.39 178.97 1b5b h THR 33 N 0.04 0.54 0.00 -5.08 2.02 -1.81 1.00 112.91 109.61 1b5b h THR 33 Ca -0.44 -0.19 -0.17 0.00 0.77 0.00 0.00 66.41 66.38 1b5b h THR 33 Cb 2.02 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1b5b h THR 33 CO 0.05 0.10 -0.82 0.50 0.37 0.00 0.00 175.52 175.72 1b5b h LYS 34 N 0.54 0.00 -0.94 6.66 3.64 -1.90 -3.14 116.57 121.43 1b5b h LYS 34 Ca 0.61 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 59.55 1b5b h LYS 34 Cb 1.14 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.70 1b5b h LYS 34 CO -0.48 0.82 0.56 0.34 -2.27 0.00 0.00 179.45 178.42 1b5b n PHE 35 N -3.42 2.90 0.00 1.91 7.35 0.28 -4.38 117.46 122.10 1b5b n PHE 35 Ca 0.00 -1.68 -0.17 0.00 -0.76 0.00 0.00 57.45 54.84 1b5b n PHE 35 Cb 0.83 -0.88 -0.13 0.00 0.35 0.00 0.00 39.48 39.64 1b5b n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1b5b h LEU 36 N 1.40 0.33 -3.77 -2.13 3.38 0.50 -2.88 115.31 112.14 1b5b h LEU 36 Ca 0.54 -0.90 -0.30 0.00 0.09 0.00 0.00 57.88 57.32 1b5b h LEU 36 Cb 2.73 -0.11 -0.18 0.00 0.09 0.00 0.00 40.66 43.20 1b5b h LEU 36 CO 1.01 1.20 0.35 1.21 0.09 0.00 0.00 178.44 182.30 1b5b n GLU 37 N -4.31 3.08 0.00 1.13 2.13 -1.26 -4.11 120.64 117.30 1b5b n GLU 37 Ca -0.12 -3.07 0.00 0.00 0.66 0.00 0.00 57.16 54.63 1b5b n GLU 37 Cb 0.67 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 30.22 1b5b n GLU 37 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1b5b n GLU 38 N -0.56 2.38 -2.21 5.31 4.71 -1.24 -5.02 120.64 124.01 1b5b n GLU 38 Ca 0.45 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 57.18 1b5b n GLU 38 Cb 1.43 -0.89 -0.03 0.00 -1.01 0.00 0.00 31.44 30.95 1b5b n GLU 38 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1b5b s HIS 39 N -1.68 2.64 -0.60 -0.32 2.46 -1.09 -4.86 115.29 111.84 1b5b s HIS 39 Ca 0.00 0.71 0.00 0.00 0.47 0.00 0.00 55.06 56.24 1b5b s HIS 39 Cb 0.00 -3.69 0.00 0.00 -0.13 0.00 0.00 32.58 28.76 1b5b s HIS 39 CO 0.00 -2.63 0.53 -0.35 -2.47 0.00 0.00 174.74 169.82 1b5b n PRO 40 N 6.05 0.75 -0.01 2.88 -0.04 -1.26 -2.47 135.00 140.90 1b5b n PRO 40 Ca 0.14 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.59 1b5b n PRO 40 Cb 0.44 -1.28 -0.02 0.00 -0.04 0.00 0.00 33.50 32.60 1b5b n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b5b n GLY 41 N 0.32 -0.13 0.00 0.55 0.00 -1.26 -5.14 105.19 99.53 1b5b n GLY 41 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1b5b n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b5b n GLY 42 N 2.89 0.70 0.72 -0.02 0.00 -1.03 -4.84 105.19 103.60 1b5b n GLY 42 Ca -0.05 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1b5b n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b5b n GLU 43 N 0.00 0.00 -0.25 1.61 2.13 -1.26 -4.66 120.64 118.21 1b5b n GLU 43 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 1b5b n GLU 43 Cb 0.00 -0.64 0.18 0.00 0.27 0.00 0.00 31.44 31.26 1b5b n GLU 43 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1b5b h GLU 44 N 0.00 0.34 -0.60 5.31 4.81 -1.95 0.20 114.58 122.69 1b5b h GLU 44 Ca 0.00 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.33 1b5b h GLU 44 Cb 0.98 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 30.18 1b5b h GLU 44 CO 0.00 0.22 0.06 -0.24 -0.73 0.00 0.00 179.01 178.33 1b5b h VAL 45 N 0.35 0.56 0.63 0.32 3.04 -1.88 1.64 116.25 120.91 1b5b h VAL 45 Ca 0.41 -0.06 -0.03 0.00 -1.01 0.00 0.00 66.70 66.01 1b5b h VAL 45 Cb 0.67 0.37 0.01 0.00 -2.01 0.00 0.00 31.29 30.33 1b5b h VAL 45 CO -0.46 0.03 -0.30 -0.07 -1.01 0.00 0.00 177.57 175.76 1b5b h LEU 46 N 0.18 -0.72 -0.73 3.16 3.38 -1.05 -3.12 115.31 116.40 1b5b h LEU 46 Ca 0.32 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.43 1b5b h LEU 46 Cb 0.50 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 1b5b h LEU 46 CO -0.47 -0.35 0.18 0.03 0.09 0.00 0.00 178.44 177.92 1b5b h ARG 47 N -1.13 0.27 -0.99 1.13 3.08 -0.10 0.13 114.38 116.77 1b5b h ARG 47 Ca -0.09 -0.02 0.34 0.00 0.07 0.00 0.00 59.98 60.29 1b5b h ARG 47 Cb 0.69 -0.06 -0.18 0.00 0.08 0.00 0.00 29.97 30.50 1b5b h ARG 47 CO 0.14 0.18 0.29 1.49 -1.07 0.00 0.00 179.97 181.00 1b5b h GLU 48 N 0.27 0.02 -1.65 0.04 4.57 0.25 0.29 114.58 118.38 1b5b h GLU 48 Ca 0.41 -0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 58.00 1b5b h GLU 48 Cb 0.70 -0.01 -0.42 0.00 -0.16 0.00 0.00 28.75 28.86 1b5b h GLU 48 CO -0.50 0.02 -0.72 1.04 -1.18 0.00 0.00 179.01 177.66 1b5b n GLN 49 N -5.36 3.38 -3.01 1.92 1.13 0.39 -5.06 117.38 110.77 1b5b n GLN 49 Ca 0.30 -4.56 -0.36 0.00 -1.94 0.00 0.00 57.00 50.44 1b5b n GLN 49 Cb 1.01 -2.24 -0.06 0.00 0.11 0.00 0.00 30.24 29.06 1b5b n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1b5b s ALA 50 N -3.52 3.34 -1.41 -1.58 0.00 0.10 -3.98 121.76 114.70 1b5b s ALA 50 Ca 0.48 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 1b5b s ALA 50 Cb 0.38 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1b5b s ALA 50 CO -0.18 0.28 0.39 0.41 0.00 0.00 0.00 175.76 176.66 1b5b n GLY 51 N 0.53 -0.23 3.57 0.00 0.00 0.47 -4.93 105.19 104.59 1b5b n GLY 51 Ca -0.00 0.16 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 1b5b n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b5b s GLY 52 N -4.36 -0.39 0.10 -0.02 0.00 -1.26 -4.70 107.32 96.70 1b5b s GLY 52 Ca 0.01 0.97 -0.31 0.00 0.00 0.00 0.00 44.72 45.39 1b5b s GLY 52 CO 0.90 0.31 1.54 0.51 0.00 0.00 0.00 173.10 176.36 1b5b s ASP 53 N -2.52 6.67 -0.17 1.64 -4.77 -1.26 -3.64 116.67 112.62 1b5b s ASP 53 Ca 0.07 2.45 0.15 0.00 -3.30 0.00 0.00 52.55 51.93 1b5b s ASP 53 Cb -0.01 -2.58 0.43 0.00 -1.09 0.00 0.00 42.92 39.68 1b5b s ASP 53 CO -0.06 -0.80 1.20 0.00 0.70 0.00 0.00 175.17 176.20 1b5b n ALA 54 N 4.70 3.46 0.07 2.11 0.00 -1.19 -4.86 120.51 124.79 1b5b n ALA 54 Ca 0.14 -3.10 -0.16 0.00 0.00 0.00 0.00 53.44 50.32 1b5b n ALA 54 Cb 0.41 -0.48 -0.10 0.00 0.00 0.00 0.00 19.45 19.28 1b5b n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1b5b h THR 55 N 2.95 0.00 -0.40 0.00 2.02 -1.90 1.54 112.91 117.12 1b5b h THR 55 Ca -0.02 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1b5b h THR 55 Cb 1.32 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1b5b h THR 55 CO 0.14 0.00 0.11 -0.08 0.37 0.00 0.00 175.52 176.06 1b5b h GLU 56 N -0.68 0.63 0.00 6.66 4.22 -1.96 0.81 114.58 124.25 1b5b h GLU 56 Ca 0.01 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 59.30 1b5b h GLU 56 Cb 0.72 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1b5b h GLU 56 CO -0.34 0.64 0.00 -0.91 -2.18 0.00 0.00 179.01 176.22 1b5b h ASN 57 N 0.50 0.00 0.00 1.04 4.21 -1.77 1.26 115.58 120.82 1b5b h ASN 57 Ca 0.13 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.32 1b5b h ASN 57 Cb 0.28 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.44 1b5b h ASN 57 CO -0.00 0.00 -1.82 0.33 -1.29 0.00 0.00 177.43 174.65 1b5b n PHE 58 N -2.71 0.48 0.25 1.19 -0.00 0.52 -4.32 117.46 112.88 1b5b n PHE 58 Ca -0.01 0.21 0.14 0.00 -0.00 0.00 0.00 57.45 57.79 1b5b n PHE 58 Cb 0.11 -1.01 0.58 0.00 -0.00 0.00 0.00 39.48 39.16 1b5b n PHE 58 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 1b5b h GLU 59 N -1.00 0.00 -0.62 -4.13 -0.00 0.86 -3.12 114.58 106.58 1b5b h GLU 59 Ca -0.48 0.00 0.12 0.00 -0.00 0.00 0.00 59.36 59.00 1b5b h GLU 59 Cb 1.40 0.00 -0.12 0.00 -0.00 0.00 0.00 28.75 30.03 1b5b h GLU 59 CO -0.29 0.09 -0.17 0.22 -0.00 0.00 0.00 179.01 178.86 1b5b h ASP 60 N 0.00 -0.61 -0.43 3.06 3.58 0.14 1.35 116.42 123.50 1b5b h ASP 60 Ca -0.00 0.19 -0.10 0.00 0.42 0.00 0.00 57.03 57.54 1b5b h ASP 60 Cb 0.62 0.40 -0.06 0.00 1.72 0.00 0.00 39.33 42.01 1b5b h ASP 60 CO 0.01 -0.21 0.13 0.55 -2.88 0.00 0.00 179.24 176.84 1b5b n VAL 61 N -5.43 1.90 -3.76 2.25 3.14 -1.18 -4.92 118.33 110.34 1b5b n VAL 61 Ca 0.07 -0.96 -0.23 0.00 -2.96 0.00 0.00 64.34 60.26 1b5b n VAL 61 Cb 0.33 -0.47 0.01 0.00 -1.06 0.00 0.00 33.84 32.65 1b5b n VAL 61 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1b5b n GLY 62 N 0.10 -0.51 3.39 7.55 0.00 0.46 -4.60 105.19 111.58 1b5b n GLY 62 Ca 0.23 0.22 -0.54 0.00 0.00 0.00 0.00 46.02 45.93 1b5b n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1b5b n HIS 63 N -2.83 0.23 -1.98 1.61 8.25 -1.22 -4.82 115.22 114.46 1b5b n HIS 63 Ca -0.09 1.01 -0.38 0.00 -0.26 0.00 0.00 57.72 58.00 1b5b n HIS 63 Cb 0.32 -2.00 0.02 0.00 1.12 0.00 0.00 29.99 29.45 1b5b n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1b5b s SER 64 N -0.35 5.65 0.37 0.41 1.04 -1.26 -4.89 113.70 114.66 1b5b s SER 64 Ca 0.80 2.58 0.07 0.00 0.48 0.00 0.00 55.95 59.88 1b5b s SER 64 Cb -1.13 -2.62 0.79 0.00 0.10 0.00 0.00 66.02 63.16 1b5b s SER 64 CO 0.55 -1.29 1.94 0.71 0.98 0.00 0.00 173.24 176.13 1b5b h THR 65 N 1.64 0.97 -0.36 2.02 1.35 -2.01 0.21 112.91 116.73 1b5b h THR 65 Ca -0.50 -0.24 0.10 0.00 -0.55 0.00 0.00 66.41 65.22 1b5b h THR 65 Cb 1.28 0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1b5b h THR 65 CO 0.58 0.13 0.41 -2.24 -0.25 0.00 0.00 175.52 174.15 1b5b h ASP 66 N 0.71 0.00 0.01 5.36 3.04 -2.00 0.45 116.42 123.99 1b5b h ASP 66 Ca 0.34 0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.89 1b5b h ASP 66 Cb 0.39 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.70 1b5b h ASP 66 CO -0.12 0.00 -0.92 0.00 -2.04 0.00 0.00 179.24 176.16 1b5b h ALA 67 N 1.52 0.10 -0.06 4.15 0.00 -0.93 0.43 119.26 124.46 1b5b h ALA 67 Ca 0.17 -0.66 0.02 0.00 0.00 0.00 0.00 54.91 54.44 1b5b h ALA 67 Cb 0.98 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1b5b h ALA 67 CO -0.00 0.57 0.15 0.00 0.00 0.00 0.00 179.25 179.97 1b5b h ARG 68 N 0.22 0.00 0.01 0.00 3.08 -0.06 0.22 114.38 117.85 1b5b h ARG 68 Ca -0.12 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.56 1b5b h ARG 68 Cb 1.59 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.58 1b5b h ARG 68 CO 0.18 0.00 -2.34 0.39 -1.07 0.00 0.00 179.97 177.13 1b5b n GLU 69 N -3.32 0.67 -0.31 0.04 1.02 -0.98 -4.33 120.64 113.43 1b5b n GLU 69 Ca -0.01 0.12 -0.05 0.00 -0.02 0.00 0.00 57.16 57.21 1b5b n GLU 69 Cb 0.23 -1.56 0.08 0.00 -0.02 0.00 0.00 31.44 30.17 1b5b n GLU 69 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1b5b h LEU 70 N 0.01 1.08 -0.92 -4.62 7.12 0.39 -2.22 115.31 116.15 1b5b h LEU 70 Ca -0.53 -0.12 0.26 0.00 0.13 0.00 0.00 57.88 57.62 1b5b h LEU 70 Cb 2.03 -0.28 -0.14 0.00 -0.53 0.00 0.00 40.66 41.74 1b5b h LEU 70 CO -0.02 0.89 0.36 -1.28 -0.13 0.00 0.00 178.44 178.26 1b5b h SER 71 N 1.19 0.21 -0.96 1.25 0.87 -0.82 0.35 113.55 115.64 1b5b h SER 71 Ca 0.29 0.19 0.26 0.00 -1.23 0.00 0.00 61.79 61.30 1b5b h SER 71 Cb 0.07 0.20 -0.18 0.00 -0.44 0.00 0.00 62.40 62.05 1b5b h SER 71 CO -0.04 -0.12 -0.01 1.17 -0.53 0.00 0.00 176.83 177.30 1b5b n LYS 72 N -5.14 -0.08 0.06 2.24 4.81 -0.83 0.10 118.16 119.33 1b5b n LYS 72 Ca 0.25 1.45 -0.11 0.00 -0.87 0.00 0.00 58.31 59.02 1b5b n LYS 72 Cb 0.76 -2.28 -0.05 0.00 0.02 0.00 0.00 35.03 33.48 1b5b n LYS 72 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1b5b h THR 73 N 0.00 0.43 -1.12 3.15 2.02 -0.45 -2.17 112.91 114.78 1b5b h THR 73 Ca 0.57 0.00 -0.52 0.00 0.77 0.00 0.00 66.41 67.23 1b5b h THR 73 Cb 1.14 0.43 -0.19 0.00 -1.74 0.00 0.00 68.15 67.79 1b5b h THR 73 CO -0.92 0.00 0.51 -1.22 0.37 0.00 0.00 175.52 174.27 1b5b n TYR 74 N -5.37 1.86 -2.63 3.16 4.02 0.29 -4.96 117.16 113.54 1b5b n TYR 74 Ca -0.05 -2.05 -0.31 0.00 -0.01 0.00 0.00 57.90 55.48 1b5b n TYR 74 Cb 0.28 -1.30 -0.03 0.00 -0.02 0.00 0.00 39.34 38.27 1b5b n TYR 74 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 176.86 174.35 1b5b s ILE 75 N -2.77 4.65 0.00 -0.72 2.07 -0.61 -3.03 121.20 120.79 1b5b s ILE 75 Ca 0.55 0.93 0.00 0.00 -1.41 0.00 0.00 60.65 60.72 1b5b s ILE 75 Cb 0.38 -3.72 0.00 0.00 0.13 0.00 0.00 42.46 39.25 1b5b s ILE 75 CO -0.21 -0.60 0.00 0.00 -1.91 0.00 0.00 174.94 172.22 1b5b n ILE 76 N -1.42 0.00 -2.32 2.00 3.06 -1.26 -4.74 119.36 114.68 1b5b n ILE 76 Ca 0.05 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.30 1b5b n ILE 76 Cb 0.54 -0.86 0.00 0.00 0.54 0.00 0.00 39.64 39.86 1b5b n ILE 76 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1b5b n GLY 77 N 2.35 -0.60 3.63 4.50 0.00 -1.25 -4.84 105.19 108.98 1b5b n GLY 77 Ca 0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 1b5b n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b5b s GLU 78 N -0.47 2.04 -0.21 1.61 2.12 -0.51 -3.78 118.70 119.50 1b5b s GLU 78 Ca 0.00 -1.85 -0.10 0.00 0.36 0.00 0.00 54.97 53.38 1b5b s GLU 78 Cb 0.00 -1.85 -0.05 0.00 0.26 0.00 0.00 34.13 32.49 1b5b s GLU 78 CO 0.00 0.07 0.13 -1.17 -0.54 0.00 0.00 175.26 173.75 1b5b s LEU 79 N -3.73 4.10 0.36 2.70 2.96 -1.26 -0.61 118.68 123.20 1b5b s LEU 79 Ca 0.35 0.16 -0.21 0.00 -0.22 0.00 0.00 54.13 54.21 1b5b s LEU 79 Cb 0.03 -2.07 -0.15 0.00 0.50 0.00 0.00 46.19 44.49 1b5b s LEU 79 CO 0.19 0.14 0.13 1.57 -1.32 0.00 0.00 176.35 177.06 1b5b n HIS 80 N 3.82 -1.80 0.14 5.38 -0.00 0.31 -4.75 115.22 118.32 1b5b n HIS 80 Ca -0.16 0.63 0.01 0.00 -0.00 0.00 0.00 57.72 58.21 1b5b n HIS 80 Cb 0.52 -1.71 0.15 0.00 -0.00 0.00 0.00 29.99 28.96 1b5b n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1b5b h PRO 81 N 0.39 0.00 0.00 1.57 0.13 -1.96 -2.30 132.00 129.83 1b5b h PRO 81 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1b5b h PRO 81 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1b5b h PRO 81 CO 0.46 0.58 -0.07 0.22 -0.23 0.00 0.00 178.00 178.95 1b5b h ASP 82 N 0.00 0.00 0.05 1.44 3.58 -1.96 -2.98 116.42 116.56 1b5b h ASP 82 Ca -0.01 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 1b5b h ASP 82 Cb 1.20 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.25 1b5b h ASP 82 CO 0.07 0.00 -0.34 0.44 -2.88 0.00 0.00 179.24 176.53 1b5b h ASP 83 N 0.00 0.18 -0.68 2.28 3.32 -1.84 -3.24 116.42 116.44 1b5b h ASP 83 Ca 0.00 -0.97 0.05 0.00 0.02 0.00 0.00 57.03 56.13 1b5b h ASP 83 Cb 0.96 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.41 1b5b h ASP 83 CO 0.00 1.16 0.45 0.08 -1.72 0.00 0.00 179.24 179.21 1b5b h ARG 84 N -0.76 0.72 -0.74 3.56 0.11 -1.48 0.30 114.38 116.10 1b5b h ARG 84 Ca -0.06 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.97 1b5b h ARG 84 Cb 1.25 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.17 1b5b h ARG 84 CO 0.05 0.48 0.00 0.45 0.10 0.00 0.00 179.97 181.05 1b5b n SER 85 N -4.47 1.59 -0.06 0.08 2.88 -1.13 -3.11 113.62 109.40 1b5b n SER 85 Ca 0.09 -2.13 -0.05 0.00 -1.33 0.00 0.00 58.87 55.45 1b5b n SER 85 Cb 0.19 -0.43 -0.15 0.00 -0.75 0.00 0.00 64.21 63.07 1b5b n SER 85 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1b5b n LYS 86 N 0.06 0.67 -2.69 -1.46 4.81 0.11 -4.47 118.16 115.18 1b5b n LYS 86 Ca 0.05 0.02 -0.20 0.00 -0.87 0.00 0.00 58.31 57.31 1b5b n LYS 86 Cb 0.35 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 33.82 1b5b n LYS 86 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1b5b n ILE 87 N -2.71 1.71 0.00 3.15 3.06 -1.18 -5.01 119.36 118.38 1b5b n ILE 87 Ca -0.24 -4.37 0.00 0.00 -2.50 0.00 0.00 62.75 55.64 1b5b n ILE 87 Cb 1.02 -0.53 0.00 0.00 0.54 0.00 0.00 39.64 40.67 1b5b n ILE 87 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1b5b n ALA 88 N -0.22 0.00 0.00 1.51 0.00 -1.25 -4.38 120.51 116.18 1b5b n ALA 88 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1b5b n ALA 88 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1b5b n ALA 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1b5b n LYS 89 N 0.00 0.00 -2.38 0.00 5.02 -1.22 -4.48 118.16 115.09 1b5b n LYS 89 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1b5b n LYS 89 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1b5b n LYS 89 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1b5b s PRO 90 N 0.00 3.95 -0.06 1.97 0.04 -1.26 -4.44 135.00 135.20 1b5b s PRO 90 Ca 0.00 1.36 -0.05 0.00 0.04 0.00 0.00 61.00 62.36 1b5b s PRO 90 Cb 0.00 -3.88 0.02 0.00 0.04 0.00 0.00 34.50 30.68 1b5b s PRO 90 CO 0.00 -1.08 0.10 0.45 0.04 0.00 0.00 177.00 176.51 1b5b n SER 91 N 7.56 -4.83 -0.89 6.66 2.88 -1.26 -2.68 113.62 121.07 1b5b n SER 91 Ca 0.15 1.49 0.11 0.00 -1.33 0.00 0.00 58.87 59.29 1b5b n SER 91 Cb 0.46 -4.43 -0.04 0.00 -0.75 0.00 0.00 64.21 59.45 1b5b n SER 91 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1b5b n GLU 92 N 1.90 -1.93 0.00 -1.46 1.02 -1.26 -4.52 120.64 114.39 1b5b n GLU 92 Ca -0.16 1.46 0.00 0.00 -0.02 0.00 0.00 57.16 58.44 1b5b n GLU 92 Cb 0.25 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 1b5b n GLU 92 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1b5b n THR 93 N -3.60 0.00 -0.02 2.62 5.66 -1.26 -4.69 114.28 112.99 1b5b n THR 93 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1b5b n THR 93 Cb 0.41 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 1b5b n THR 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02