#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b27 s GLN 2 N 0.00 3.28 0.25 0.00 0.74 -1.26 -4.93 119.66 117.74 1b27 s GLN 2 Ca 0.00 1.89 -0.31 0.00 0.05 0.00 0.00 55.36 56.99 1b27 s GLN 2 Cb 0.00 -2.15 -0.11 0.00 1.10 0.00 0.00 33.01 31.85 1b27 s GLN 2 CO 0.00 -0.98 1.61 0.08 -0.55 0.00 0.00 175.29 175.45 1b27 s VAL 3 N -1.53 2.20 -0.28 1.34 1.01 -1.26 -4.97 120.40 116.91 1b27 s VAL 3 Ca 0.72 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.84 1b27 s VAL 3 Cb -0.32 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.00 1b27 s VAL 3 CO 0.36 0.02 -0.02 -0.63 0.00 0.00 0.00 175.10 174.83 1b27 s ILE 4 N 0.49 2.93 0.00 2.22 1.01 -1.26 -4.97 121.20 121.62 1b27 s ILE 4 Ca 0.67 -1.28 0.18 0.00 0.00 0.00 0.00 60.65 60.22 1b27 s ILE 4 Cb -0.47 -2.62 0.29 0.00 0.01 0.00 0.00 42.46 39.67 1b27 s ILE 4 CO 0.41 -0.01 1.10 -0.46 0.00 0.00 0.00 174.94 175.98 1b27 n ASN 5 N 4.63 0.43 -4.74 3.58 6.94 -1.26 -4.73 115.26 120.11 1b27 n ASN 5 Ca -0.14 -1.98 -0.26 0.00 -0.02 0.00 0.00 54.58 52.18 1b27 n ASN 5 Cb 0.44 -0.14 -0.06 0.00 -2.36 0.00 0.00 39.78 37.66 1b27 n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1b27 s THR 6 N 0.00 4.15 0.18 5.53 -4.23 -1.26 -1.67 115.64 118.33 1b27 s THR 6 Ca 0.23 -1.28 -0.17 0.00 -1.18 0.00 0.00 61.69 59.30 1b27 s THR 6 Cb 0.26 -3.12 0.12 0.00 1.34 0.00 0.00 72.50 71.10 1b27 s THR 6 CO -0.11 -0.14 1.65 -0.26 -0.54 0.00 0.00 174.62 175.22 1b27 h PHE 7 N 2.42 -0.29 -0.45 3.99 0.04 -1.98 -0.66 116.94 120.02 1b27 h PHE 7 Ca -0.47 0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.26 1b27 h PHE 7 Cb 1.21 0.20 -0.02 0.00 2.20 0.00 0.00 35.95 39.54 1b27 h PHE 7 CO 0.60 -0.21 -0.03 -0.44 -0.60 0.00 0.00 178.31 177.62 1b27 h ASP 8 N -0.03 0.81 0.33 2.17 3.32 -1.98 0.21 116.42 121.25 1b27 h ASP 8 Ca 0.21 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1b27 h ASP 8 Cb 0.35 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1b27 h ASP 8 CO -0.47 0.94 -0.16 1.23 -1.72 0.00 0.00 179.24 179.06 1b27 h GLY 9 N 0.66 -0.46 1.04 2.75 0.00 -1.89 0.28 103.07 105.45 1b27 h GLY 9 Ca 0.12 0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.55 1b27 h GLY 9 CO 0.03 -0.17 0.06 -2.08 0.00 0.00 0.00 176.54 174.39 1b27 h VAL 10 N -0.53 1.26 0.03 4.60 2.07 -1.10 -1.44 116.25 121.15 1b27 h VAL 10 Ca -0.05 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.45 1b27 h VAL 10 Cb 0.39 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1b27 h VAL 10 CO 0.07 0.38 -0.18 0.00 0.02 0.00 0.00 177.57 177.87 1b27 h ALA 11 N 1.00 -0.24 -0.89 1.67 0.00 -0.26 0.18 119.26 120.72 1b27 h ALA 11 Ca 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1b27 h ALA 11 Cb 0.47 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1b27 h ALA 11 CO 0.02 -0.68 0.47 -0.44 0.00 0.00 0.00 179.25 178.61 1b27 h ASP 12 N -0.31 1.13 -0.64 0.00 3.32 -0.35 -1.80 116.42 117.78 1b27 h ASP 12 Ca 0.05 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1b27 h ASP 12 Cb 0.36 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1b27 h ASP 12 CO -0.15 0.92 0.29 0.22 -1.72 0.00 0.00 179.24 178.81 1b27 h TYR 13 N 1.25 0.93 -0.42 4.55 5.03 -0.67 -1.77 116.97 125.87 1b27 h TYR 13 Ca 0.31 -0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.54 1b27 h TYR 13 Cb 0.06 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.04 1b27 h TYR 13 CO 0.01 0.71 0.15 -0.07 -1.32 0.00 0.00 178.16 177.64 1b27 h LEU 14 N 0.88 0.60 -0.15 2.82 3.38 -0.19 -1.66 115.31 120.99 1b27 h LEU 14 Ca 0.22 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1b27 h LEU 14 Cb 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1b27 h LEU 14 CO -0.03 0.63 0.07 1.56 0.09 0.00 0.00 178.44 180.76 1b27 h GLN 15 N 0.53 0.21 -0.10 1.13 4.20 -1.24 0.05 115.11 119.90 1b27 h GLN 15 Ca 0.14 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1b27 h GLN 15 Cb 0.23 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1b27 h GLN 15 CO -0.01 0.27 -0.03 1.15 -0.67 0.00 0.00 178.83 179.54 1b27 h THR 16 N 0.10 1.31 -0.01 -0.54 2.02 -1.32 -3.36 112.91 111.11 1b27 h THR 16 Ca 0.05 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1b27 h THR 16 Cb 0.13 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1b27 h THR 16 CO -0.01 0.28 -0.27 -1.22 0.37 0.00 0.00 175.52 174.68 1b27 n TYR 17 N -4.76 0.00 -3.80 3.16 4.01 -0.63 -5.01 117.16 110.14 1b27 n TYR 17 Ca -0.07 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.43 1b27 n TYR 17 Cb 0.25 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.30 1b27 n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1b27 n HIS 18 N -0.10 -1.97 -3.51 -0.72 8.25 0.00 -4.96 115.22 112.21 1b27 n HIS 18 Ca 0.06 0.84 -0.09 0.00 -0.26 0.00 0.00 57.72 58.27 1b27 n HIS 18 Cb 0.30 -4.18 -0.02 0.00 1.12 0.00 0.00 29.99 27.21 1b27 n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1b27 s LYS 19 N -6.23 0.99 0.54 -0.41 -2.85 -1.26 -5.05 119.74 105.46 1b27 s LYS 19 Ca 0.18 -0.39 -0.16 0.00 -1.00 0.00 0.00 55.97 54.60 1b27 s LYS 19 Cb -0.09 0.44 -0.07 0.00 -2.06 0.00 0.00 37.83 36.05 1b27 s LYS 19 CO 0.83 -0.43 1.00 -0.51 0.10 0.00 0.00 175.35 176.34 1b27 s LEU 20 N -2.60 3.58 0.89 2.77 1.43 -1.26 -3.79 118.68 119.71 1b27 s LEU 20 Ca 0.05 1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 1b27 s LEU 20 Cb -0.01 -4.51 0.08 0.00 0.03 0.00 0.00 46.19 41.77 1b27 s LEU 20 CO -0.09 -0.73 0.83 -2.65 0.23 0.00 0.00 176.35 173.95 1b27 n PRO 21 N -1.71 -0.21 0.00 1.29 -0.02 -1.26 -4.91 135.00 128.17 1b27 n PRO 21 Ca 0.07 -0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.59 1b27 n PRO 21 Cb 0.54 -2.15 0.22 0.00 -0.02 0.00 0.00 33.50 32.09 1b27 n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1b27 n ASP 22 N -2.65 0.00 -1.52 2.55 8.00 -1.26 -3.27 116.55 118.39 1b27 n ASP 22 Ca 0.10 -0.27 0.07 0.00 0.71 0.00 0.00 54.79 55.40 1b27 n ASP 22 Cb 0.52 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.94 1b27 n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1b27 n ASN 23 N -0.96 4.51 -4.60 -2.24 6.94 -1.26 -4.92 115.26 112.73 1b27 n ASN 23 Ca 0.06 -2.58 -0.34 0.00 -0.02 0.00 0.00 54.58 51.70 1b27 n ASN 23 Cb 0.03 -0.60 -0.11 0.00 -2.36 0.00 0.00 39.78 36.74 1b27 n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1b27 s TYR 24 N -2.15 2.96 -0.00 -2.53 2.02 -1.20 -0.31 117.35 116.13 1b27 s TYR 24 Ca 0.44 0.03 0.02 0.00 -0.37 0.00 0.00 57.07 57.19 1b27 s TYR 24 Cb 0.31 -1.70 -0.00 0.00 -0.40 0.00 0.00 41.96 40.17 1b27 s TYR 24 CO 0.16 0.36 -0.06 0.96 -1.57 0.00 0.00 175.55 175.41 1b27 s ILE 25 N -0.87 0.44 0.90 2.71 -0.00 0.37 -4.87 121.20 119.89 1b27 s ILE 25 Ca 0.14 -0.25 -0.11 0.00 -0.00 0.00 0.00 60.65 60.42 1b27 s ILE 25 Cb -0.11 -0.37 0.13 0.00 -0.00 0.00 0.00 42.46 42.11 1b27 s ILE 25 CO 0.03 0.11 1.10 0.42 -0.00 0.00 0.00 174.94 176.60 1b27 s THR 26 N -0.16 2.60 0.25 8.37 -4.23 -1.13 -1.69 115.64 119.65 1b27 s THR 26 Ca 0.02 0.19 -0.03 0.00 -1.18 0.00 0.00 61.69 60.70 1b27 s THR 26 Cb -0.02 -2.50 0.23 0.00 1.34 0.00 0.00 72.50 71.54 1b27 s THR 26 CO -0.00 -0.25 1.80 0.11 -0.54 0.00 0.00 174.62 175.74 1b27 h LYS 27 N -1.66 0.77 -0.23 3.99 1.57 -1.97 -0.96 116.57 118.08 1b27 h LYS 27 Ca -0.48 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.22 1b27 h LYS 27 Cb 1.27 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1b27 h LYS 27 CO 0.50 0.51 -0.02 0.77 -0.57 0.00 0.00 179.45 180.64 1b27 h SER 28 N 0.79 0.41 -0.30 0.86 0.02 -1.99 -0.24 113.55 113.11 1b27 h SER 28 Ca 0.43 -0.33 0.05 0.00 -0.84 0.00 0.00 61.79 61.10 1b27 h SER 28 Cb 0.44 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.83 1b27 h SER 28 CO -0.27 0.64 0.03 -0.33 -1.14 0.00 0.00 176.83 175.76 1b27 h GLU 29 N 0.17 0.12 -0.27 3.45 5.08 -1.84 -0.28 114.58 121.01 1b27 h GLU 29 Ca 0.06 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1b27 h GLU 29 Cb 0.44 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1b27 h GLU 29 CO 0.02 0.08 0.04 0.00 -1.00 0.00 0.00 179.01 178.15 1b27 h ALA 30 N 1.24 0.27 -0.87 3.43 0.00 -1.01 -1.81 119.26 120.52 1b27 h ALA 30 Ca 0.14 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1b27 h ALA 30 Cb 0.17 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1b27 h ALA 30 CO -0.21 -0.37 0.56 1.96 0.00 0.00 0.00 179.25 181.19 1b27 h GLN 31 N 0.14 1.07 0.00 0.00 4.20 -0.45 0.29 115.11 120.37 1b27 h GLN 31 Ca 0.13 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1b27 h GLN 31 Cb 0.14 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1b27 h GLN 31 CO -0.18 0.71 -0.03 0.00 -0.67 0.00 0.00 178.83 178.66 1b27 h ALA 32 N 1.35 1.05 -0.01 3.87 0.00 -0.34 -0.48 119.26 124.70 1b27 h ALA 32 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1b27 h ALA 32 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1b27 h ALA 32 CO -0.10 0.04 -0.08 1.28 0.00 0.00 0.00 179.25 180.38 1b27 n LEU 33 N -3.20 1.26 0.00 0.00 4.77 -0.53 -4.93 117.00 114.37 1b27 n LEU 33 Ca -0.01 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1b27 n LEU 33 Cb 0.22 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1b27 n LEU 33 CO 0.26 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1b27 n GLY 34 N 1.23 1.28 3.73 -0.72 0.00 -0.19 -4.82 105.19 105.70 1b27 n GLY 34 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1b27 n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b27 s TRP 35 N -2.00 3.47 -0.38 1.61 -0.00 -0.02 -4.93 118.94 116.69 1b27 s TRP 35 Ca 0.00 1.44 0.02 0.00 -0.00 0.00 0.00 56.10 57.55 1b27 s TRP 35 Cb 0.00 -3.39 0.11 0.00 -0.00 0.00 0.00 33.47 30.20 1b27 s TRP 35 CO 0.00 -1.07 0.15 0.08 -0.00 0.00 0.00 176.95 176.11 1b27 s VAL 36 N 0.19 1.58 0.18 5.86 1.01 -1.26 -4.43 120.40 123.52 1b27 s VAL 36 Ca 0.53 -2.22 -0.27 0.00 0.00 0.00 0.00 61.98 60.03 1b27 s VAL 36 Cb -0.31 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 33.94 1b27 s VAL 36 CO 0.34 -0.74 1.51 0.00 0.00 0.00 0.00 175.10 176.21 1b27 n ALA 37 N 4.09 -0.49 -0.11 5.51 0.00 -1.26 -0.16 120.51 128.09 1b27 n ALA 37 Ca 0.04 0.87 0.14 0.00 0.00 0.00 0.00 53.44 54.48 1b27 n ALA 37 Cb 0.38 -0.22 0.51 0.00 0.00 0.00 0.00 19.45 20.12 1b27 n ALA 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1b27 h SER 38 N 0.00 0.36 0.66 0.00 4.64 -2.01 0.26 113.55 117.46 1b27 h SER 38 Ca 0.21 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.44 1b27 h SER 38 Cb 0.45 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1b27 h SER 38 CO -0.93 0.21 -0.48 0.11 -0.87 0.00 0.00 176.83 174.86 1b27 h LYS 39 N 0.40 0.00 -4.33 4.77 1.57 -0.99 -3.48 116.57 114.51 1b27 h LYS 39 Ca 0.31 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.85 1b27 h LYS 39 Cb 0.69 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.10 1b27 h LYS 39 CO -0.09 0.48 -0.48 0.41 -0.57 0.00 0.00 179.45 179.20 1b27 n GLY 40 N 0.11 -0.07 1.27 3.86 0.00 0.08 -4.92 105.19 105.52 1b27 n GLY 40 Ca -0.01 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.02 1b27 n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b27 n ASN 41 N -1.91 4.51 -0.24 1.61 6.94 -1.26 -3.89 115.26 121.02 1b27 n ASN 41 Ca -0.08 -2.84 0.03 0.00 -0.02 0.00 0.00 54.58 51.67 1b27 n ASN 41 Cb 0.57 -0.57 0.15 0.00 -2.36 0.00 0.00 39.78 37.57 1b27 n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1b27 h LEU 42 N 2.79 0.26 -1.08 -4.53 5.85 -1.90 -1.23 115.31 115.47 1b27 h LEU 42 Ca 0.00 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 1b27 h LEU 42 Cb 1.56 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 1b27 h LEU 42 CO 0.29 0.12 -0.36 0.00 -0.34 0.00 0.00 178.44 178.15 1b27 h ALA 43 N 1.49 1.08 0.10 1.25 0.00 -1.85 0.16 119.26 121.49 1b27 h ALA 43 Ca 0.37 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1b27 h ALA 43 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1b27 h ALA 43 CO -0.36 0.45 -0.05 -0.44 0.00 0.00 0.00 179.25 178.85 1b27 h ASP 44 N 0.00 -0.11 1.37 0.00 3.32 -1.59 -2.66 116.42 116.75 1b27 h ASP 44 Ca -0.00 -0.20 -0.10 0.00 0.02 0.00 0.00 57.03 56.75 1b27 h ASP 44 Cb 0.81 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 1b27 h ASP 44 CO 0.05 0.13 -0.65 -0.37 -1.72 0.00 0.00 179.24 176.69 1b27 h VAL 45 N -0.36 0.68 -2.17 -1.35 -1.51 -1.36 -3.41 116.25 106.78 1b27 h VAL 45 Ca -0.01 -2.01 -0.57 0.00 -1.23 0.00 0.00 66.70 62.87 1b27 h VAL 45 Cb 0.30 2.27 -0.39 0.00 -2.13 0.00 0.00 31.29 31.34 1b27 h VAL 45 CO 0.02 0.39 -1.02 0.00 -1.23 0.00 0.00 177.57 175.73 1b27 n ALA 46 N -2.24 2.69 -1.63 5.19 0.00 0.55 -4.95 120.51 120.13 1b27 n ALA 46 Ca 0.00 -3.40 -0.47 0.00 0.00 0.00 0.00 53.44 49.57 1b27 n ALA 46 Cb 0.73 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 19.34 1b27 n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1b27 n PRO 47 N 1.88 1.66 -1.11 0.00 -0.04 -1.00 -1.40 135.00 134.99 1b27 n PRO 47 Ca 0.25 0.59 -0.04 0.00 -0.04 0.00 0.00 63.50 64.26 1b27 n PRO 47 Cb 0.50 -2.21 -0.02 0.00 -0.04 0.00 0.00 33.50 31.73 1b27 n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b27 n GLY 48 N 2.33 0.55 3.88 0.55 0.00 -1.26 -4.98 105.19 106.25 1b27 n GLY 48 Ca 0.14 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1b27 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b27 s LYS 49 N -1.77 3.16 0.13 1.61 -0.14 -0.50 -4.78 119.74 117.47 1b27 s LYS 49 Ca 0.00 -0.79 0.07 0.00 -1.36 0.00 0.00 55.97 53.89 1b27 s LYS 49 Cb 0.00 -2.78 -0.04 0.00 -1.68 0.00 0.00 37.83 33.34 1b27 s LYS 49 CO 0.00 0.48 -0.16 -1.12 -0.76 0.00 0.00 175.35 173.78 1b27 s SER 50 N -3.39 2.32 0.03 2.83 0.01 0.58 -4.77 113.70 111.31 1b27 s SER 50 Ca 0.33 -0.81 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 1b27 s SER 50 Cb -0.10 -0.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.97 1b27 s SER 50 CO 0.26 -0.08 1.22 -0.63 0.41 0.00 0.00 173.24 174.43 1b27 s ILE 51 N -1.96 4.03 -0.22 1.44 -1.09 -1.26 -0.47 121.20 121.67 1b27 s ILE 51 Ca 0.11 1.44 -0.30 0.00 -2.23 0.00 0.00 60.65 59.67 1b27 s ILE 51 Cb -0.06 -3.92 0.16 0.00 -1.58 0.00 0.00 42.46 37.06 1b27 s ILE 51 CO 0.05 0.08 1.17 -0.83 -1.23 0.00 0.00 174.94 174.17 1b27 s GLY 52 N 1.22 -0.10 0.00 6.18 0.00 -0.68 -1.28 107.32 112.65 1b27 s GLY 52 Ca 0.59 2.39 0.00 0.00 0.00 0.00 0.00 44.72 47.70 1b27 s GLY 52 CO 0.27 1.06 0.00 0.61 0.00 0.00 0.00 173.10 175.04 1b27 n GLY 53 N 0.62 2.45 3.80 0.20 0.00 -0.06 -2.85 105.19 109.36 1b27 n GLY 53 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1b27 n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b27 s ASP 54 N -1.63 5.73 0.31 1.61 1.01 -1.25 -4.77 116.67 117.67 1b27 s ASP 54 Ca 0.00 1.83 -0.28 0.00 0.71 0.00 0.00 52.55 54.81 1b27 s ASP 54 Cb 0.00 -2.53 -0.13 0.00 1.01 0.00 0.00 42.92 41.27 1b27 s ASP 54 CO 0.00 -1.21 1.20 -0.38 0.21 0.00 0.00 175.17 175.00 1b27 n ILE 55 N -2.07 1.88 -3.88 0.77 5.41 -1.26 -1.76 119.36 118.44 1b27 n ILE 55 Ca 0.09 -0.47 -0.35 0.00 1.00 0.00 0.00 62.75 63.02 1b27 n ILE 55 Cb 0.53 -1.35 -0.13 0.00 -0.71 0.00 0.00 39.64 37.98 1b27 n ILE 55 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1b27 s PHE 56 N -0.96 3.28 -1.96 1.39 5.36 0.36 -4.70 117.98 120.75 1b27 s PHE 56 Ca 0.58 -1.84 0.32 0.00 -0.96 0.00 0.00 56.93 55.02 1b27 s PHE 56 Cb -0.63 -2.18 1.88 0.00 -0.34 0.00 0.00 43.02 41.75 1b27 s PHE 56 CO 0.60 -0.80 2.21 0.43 -1.46 0.00 0.00 175.22 176.20 1b27 n SER 57 N 4.64 0.01 -3.91 6.13 7.64 -1.26 -4.05 113.62 122.83 1b27 n SER 57 Ca -0.13 -0.94 -0.40 0.00 1.01 0.00 0.00 58.87 58.42 1b27 n SER 57 Cb 0.43 -0.02 0.03 0.00 -1.01 0.00 0.00 64.21 63.64 1b27 n SER 57 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1b27 n ASN 58 N -1.02 -4.57 0.20 6.43 5.15 -1.26 -4.83 115.26 115.37 1b27 n ASN 58 Ca 0.23 -1.17 0.07 0.00 -0.60 0.00 0.00 54.58 53.11 1b27 n ASN 58 Cb 0.12 -2.44 0.41 0.00 -0.53 0.00 0.00 39.78 37.35 1b27 n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1b27 h ARG 59 N -2.31 0.00 -0.01 1.20 3.08 -2.01 -0.14 114.38 114.20 1b27 h ARG 59 Ca -0.69 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.36 1b27 h ARG 59 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 1b27 h ARG 59 CO 0.51 0.32 -0.24 0.39 -1.07 0.00 0.00 179.97 179.87 1b27 n GLU 60 N -3.58 0.96 -2.21 0.04 -0.58 -1.26 -4.96 120.64 109.04 1b27 n GLU 60 Ca -0.01 -0.58 -0.19 0.00 -0.42 0.00 0.00 57.16 55.96 1b27 n GLU 60 Cb 0.45 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.81 1b27 n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b27 n GLY 61 N 1.33 0.01 0.10 0.62 0.00 -0.06 -4.92 105.19 102.26 1b27 n GLY 61 Ca 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1b27 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b27 h LYS 62 N 0.00 0.00 -6.83 1.61 1.57 -1.93 -3.44 116.57 107.55 1b27 h LYS 62 Ca -0.45 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.85 1b27 h LYS 62 Cb 1.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 1b27 h LYS 62 CO 0.55 0.80 0.15 -0.51 -0.57 0.00 0.00 179.45 179.87 1b27 s LEU 63 N -6.89 3.96 0.10 2.94 1.43 -1.26 -5.02 118.68 113.94 1b27 s LEU 63 Ca 0.01 1.31 -0.31 0.00 -1.03 0.00 0.00 54.13 54.11 1b27 s LEU 63 Cb 0.10 -4.15 -0.08 0.00 0.03 0.00 0.00 46.19 42.09 1b27 s LEU 63 CO 0.79 -0.30 1.47 -2.16 0.23 0.00 0.00 176.35 176.38 1b27 s PRO 64 N -3.29 4.27 0.13 1.29 0.04 -1.26 -5.01 135.00 131.17 1b27 s PRO 64 Ca 0.55 2.16 -0.01 0.00 0.04 0.00 0.00 61.00 63.74 1b27 s PRO 64 Cb -0.10 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1b27 s PRO 64 CO 0.21 -0.54 0.30 0.20 0.04 0.00 0.00 177.00 177.22 1b27 s GLY 65 N 1.41 2.01 -0.11 0.56 0.00 -1.26 -5.09 107.32 104.83 1b27 s GLY 65 Ca 0.67 -0.82 -0.14 0.00 0.00 0.00 0.00 44.72 44.43 1b27 s GLY 65 CO 0.30 -0.79 0.38 1.25 0.00 0.00 0.00 173.10 174.24 1b27 s LYS 66 N -2.88 0.52 0.14 2.90 2.20 -1.26 -5.05 119.74 116.31 1b27 s LYS 66 Ca 0.37 0.34 -0.34 0.00 -0.36 0.00 0.00 55.97 55.98 1b27 s LYS 66 Cb -0.12 0.25 -0.15 0.00 -1.51 0.00 0.00 37.83 36.30 1b27 s LYS 66 CO 0.28 -0.09 1.49 0.43 -0.36 0.00 0.00 175.35 177.09 1b27 n SER 67 N 2.41 2.63 0.00 1.43 7.64 -1.26 -0.32 113.62 126.15 1b27 n SER 67 Ca -0.15 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.82 1b27 n SER 67 Cb 0.57 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1b27 n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b27 n GLY 68 N 3.06 3.24 3.68 0.23 0.00 -1.26 -5.03 105.19 109.11 1b27 n GLY 68 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1b27 n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b27 s ARG 69 N -0.54 4.30 0.20 1.61 3.52 0.56 -4.94 118.95 123.67 1b27 s ARG 69 Ca 0.00 0.72 0.09 0.00 -0.13 0.00 0.00 55.73 56.42 1b27 s ARG 69 Cb 0.00 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1b27 s ARG 69 CO 0.00 -0.12 -0.11 0.95 -0.81 0.00 0.00 175.30 175.22 1b27 s THR 70 N 1.47 3.07 0.28 4.11 -4.23 -1.26 -4.63 115.64 114.45 1b27 s THR 70 Ca 0.32 -1.78 0.11 0.00 -1.18 0.00 0.00 61.69 59.16 1b27 s THR 70 Cb -0.16 -2.54 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 1b27 s THR 70 CO 0.13 -0.16 -0.13 0.26 -0.54 0.00 0.00 174.62 174.18 1b27 s TRP 71 N -1.83 2.43 0.16 3.99 0.52 -1.26 -0.93 118.94 122.02 1b27 s TRP 71 Ca 0.25 -0.31 0.01 0.00 0.02 0.00 0.00 56.10 56.08 1b27 s TRP 71 Cb -0.08 -1.09 -0.04 0.00 -1.15 0.00 0.00 33.47 31.10 1b27 s TRP 71 CO 0.15 0.67 0.00 1.03 0.02 0.00 0.00 176.95 178.83 1b27 s ARG 72 N -3.57 1.04 0.08 4.98 0.52 0.38 -0.49 118.95 121.89 1b27 s ARG 72 Ca 0.31 -1.49 0.02 0.00 -0.52 0.00 0.00 55.73 54.04 1b27 s ARG 72 Cb -0.05 -0.16 -0.04 0.00 0.52 0.00 0.00 34.95 35.22 1b27 s ARG 72 CO 0.17 -0.14 -0.07 -1.83 0.02 0.00 0.00 175.30 173.45 1b27 s GLU 73 N -3.93 0.75 -0.06 3.54 -1.05 -0.72 -1.59 118.70 115.64 1b27 s GLU 73 Ca 0.22 -1.18 -0.20 0.00 -0.15 0.00 0.00 54.97 53.66 1b27 s GLU 73 Cb 0.06 -0.22 0.04 0.00 -0.44 0.00 0.00 34.13 33.57 1b27 s GLU 73 CO 0.02 -0.00 0.46 0.00 0.95 0.00 0.00 175.26 176.69 1b27 s ALA 74 N -3.04 -1.17 0.39 -0.84 0.00 -0.37 -0.88 121.76 115.85 1b27 s ALA 74 Ca 0.06 0.83 -0.25 0.00 0.00 0.00 0.00 51.96 52.61 1b27 s ALA 74 Cb 0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.93 1b27 s ALA 74 CO -0.03 -0.29 1.05 -0.51 0.00 0.00 0.00 175.76 175.98 1b27 s ASP 75 N -0.99 6.82 0.10 0.00 1.11 -0.41 0.25 116.67 123.55 1b27 s ASP 75 Ca -0.10 2.05 0.06 0.00 0.18 0.00 0.00 52.55 54.74 1b27 s ASP 75 Cb -0.03 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 1b27 s ASP 75 CO 0.05 -0.45 -0.16 -0.63 1.18 0.00 0.00 175.17 175.17 1b27 s ILE 76 N -1.61 1.34 -1.19 0.77 -1.09 -0.57 -4.71 121.20 114.14 1b27 s ILE 76 Ca 0.56 -1.50 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 1b27 s ILE 76 Cb -0.23 -1.35 0.00 0.00 -1.58 0.00 0.00 42.46 39.31 1b27 s ILE 76 CO 0.29 -0.25 0.00 0.59 -1.23 0.00 0.00 174.94 174.34 1b27 n ASN 77 N 0.98 -4.59 -4.81 3.58 3.02 -0.67 -4.48 115.26 108.29 1b27 n ASN 77 Ca -0.19 0.28 -0.38 0.00 -0.03 0.00 0.00 54.58 54.26 1b27 n ASN 77 Cb 0.55 -3.08 -0.06 0.00 -0.61 0.00 0.00 39.78 36.58 1b27 n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b27 s TYR 78 N -2.34 3.75 0.10 3.10 5.04 -1.26 -4.95 117.35 120.79 1b27 s TYR 78 Ca 0.00 1.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.78 1b27 s TYR 78 Cb 0.00 -2.44 0.00 0.00 0.35 0.00 0.00 41.96 39.87 1b27 s TYR 78 CO 0.00 0.56 0.00 2.41 -1.34 0.00 0.00 175.55 177.18 1b27 n THR 79 N 1.97 0.55 -3.94 4.34 -1.04 -1.26 -4.90 114.28 110.00 1b27 n THR 79 Ca -0.11 0.18 -0.09 0.00 -2.04 0.00 0.00 64.05 61.99 1b27 n THR 79 Cb 0.51 -1.25 -0.03 0.00 -1.82 0.00 0.00 70.33 67.74 1b27 n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1b27 s SER 80 N -5.44 -0.07 0.00 8.00 1.04 -1.26 -4.72 113.70 111.24 1b27 s SER 80 Ca 0.00 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1b27 s SER 80 Cb 0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 1b27 s SER 80 CO 0.00 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.55 1b27 n GLY 81 N -0.44 -0.60 3.78 7.32 0.00 -1.25 -4.84 105.19 109.17 1b27 n GLY 81 Ca -0.03 -1.27 -0.37 0.00 0.00 0.00 0.00 46.02 44.36 1b27 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b27 s PHE 82 N 0.00 3.39 0.64 1.61 0.08 -1.26 -4.59 117.98 117.85 1b27 s PHE 82 Ca 0.00 1.68 -0.18 0.00 0.12 0.00 0.00 56.93 58.55 1b27 s PHE 82 Cb 0.00 -3.09 -0.01 0.00 -0.57 0.00 0.00 43.02 39.35 1b27 s PHE 82 CO 0.00 -0.42 1.28 1.03 -0.10 0.00 0.00 175.22 177.00 1b27 s ARG 83 N -2.32 2.61 0.00 0.44 0.52 -1.26 -5.02 118.95 113.92 1b27 s ARG 83 Ca 0.55 2.01 0.00 0.00 -0.52 0.00 0.00 55.73 57.77 1b27 s ARG 83 Cb -0.22 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.39 1b27 s ARG 83 CO 0.28 -1.54 0.00 0.27 0.02 0.00 0.00 175.30 174.33 1b27 n ASN 84 N -1.88 0.00 -1.22 0.23 0.23 -1.26 -5.05 115.26 106.30 1b27 n ASN 84 Ca 0.15 -0.83 0.08 0.00 -0.53 0.00 0.00 54.58 53.46 1b27 n ASN 84 Cb 0.48 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.48 1b27 n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1b27 n SER 85 N -2.48 4.32 -4.76 0.53 3.41 -1.26 -4.95 113.62 108.43 1b27 n SER 85 Ca 0.00 -2.68 -0.36 0.00 -0.26 0.00 0.00 58.87 55.56 1b27 n SER 85 Cb 0.00 -0.53 -0.07 0.00 -0.26 0.00 0.00 64.21 63.35 1b27 n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1b27 s ASP 86 N -1.30 6.41 0.05 4.04 1.01 -1.26 -2.50 116.67 123.13 1b27 s ASP 86 Ca 0.44 0.48 -0.03 0.00 0.71 0.00 0.00 52.55 54.15 1b27 s ASP 86 Cb 0.32 -2.15 -0.03 0.00 1.01 0.00 0.00 42.92 42.07 1b27 s ASP 86 CO 0.16 0.18 0.02 -0.13 0.21 0.00 0.00 175.17 175.61 1b27 s ARG 87 N 0.09 0.61 -0.08 8.23 1.81 -0.45 -1.51 118.95 127.65 1b27 s ARG 87 Ca 0.15 -1.05 0.05 0.00 -1.72 0.00 0.00 55.73 53.16 1b27 s ARG 87 Cb -0.13 0.22 -0.01 0.00 -0.45 0.00 0.00 34.95 34.58 1b27 s ARG 87 CO 0.03 -0.13 -0.22 -1.50 -0.68 0.00 0.00 175.30 172.80 1b27 s ILE 88 N -3.45 2.29 -0.11 1.52 2.07 0.14 -1.87 121.20 121.78 1b27 s ILE 88 Ca 0.02 -0.97 0.02 0.00 -1.41 0.00 0.00 60.65 58.32 1b27 s ILE 88 Cb 0.04 -1.86 -0.01 0.00 0.13 0.00 0.00 42.46 40.76 1b27 s ILE 88 CO -0.08 0.56 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.55 1b27 s LEU 89 N -0.02 2.34 -0.02 8.50 2.01 0.21 -1.24 118.68 130.45 1b27 s LEU 89 Ca -0.07 -0.47 -0.01 0.00 0.01 0.00 0.00 54.13 53.59 1b27 s LEU 89 Cb -0.15 -1.49 0.02 0.00 0.01 0.00 0.00 46.19 44.58 1b27 s LEU 89 CO 0.05 0.16 0.04 -0.72 1.01 0.00 0.00 176.35 176.89 1b27 s TYR 90 N 0.37 -0.02 0.51 0.29 1.13 -0.62 -0.10 117.35 118.90 1b27 s TYR 90 Ca -0.15 0.14 0.00 0.00 -1.41 0.00 0.00 57.07 55.66 1b27 s TYR 90 Cb -0.17 -0.10 0.02 0.00 -1.10 0.00 0.00 41.96 40.61 1b27 s TYR 90 CO 0.07 -0.06 0.73 -1.54 -2.51 0.00 0.00 175.55 172.24 1b27 s SER 91 N 0.57 5.54 0.52 -0.18 1.04 -0.88 -0.47 113.70 119.84 1b27 s SER 91 Ca -0.05 0.16 0.19 0.00 0.48 0.00 0.00 55.95 56.72 1b27 s SER 91 Cb -0.07 -1.21 1.34 0.00 0.10 0.00 0.00 66.02 66.19 1b27 s SER 91 CO -0.02 -0.94 2.15 0.77 0.98 0.00 0.00 173.24 176.18 1b27 h SER 92 N 0.20 0.00 -0.75 7.02 4.64 -1.39 -1.83 113.55 121.44 1b27 h SER 92 Ca -0.44 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.59 1b27 h SER 92 Cb 1.28 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.19 1b27 h SER 92 CO 0.55 0.02 0.33 -0.90 -0.87 0.00 0.00 176.83 175.97 1b27 n ASP 93 N -4.37 4.24 -2.25 4.97 5.75 -1.26 -4.96 116.55 118.67 1b27 n ASP 93 Ca -0.03 -3.38 -0.18 0.00 -0.01 0.00 0.00 54.79 51.19 1b27 n ASP 93 Cb 0.11 -0.75 0.01 0.00 -1.03 0.00 0.00 41.12 39.46 1b27 n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1b27 n TRP 94 N -0.56 -1.20 -2.55 2.11 7.02 -0.69 -5.02 117.44 116.54 1b27 n TRP 94 Ca 0.45 0.20 -0.38 0.00 -1.02 0.00 0.00 57.50 56.75 1b27 n TRP 94 Cb 1.41 -3.70 -0.04 0.00 -2.42 0.00 0.00 31.31 26.56 1b27 n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1b27 s LEU 95 N -5.31 4.35 -0.04 -0.99 1.43 -1.26 -4.83 118.68 112.03 1b27 s LEU 95 Ca 0.12 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 1b27 s LEU 95 Cb -0.05 -3.92 0.02 0.00 0.03 0.00 0.00 46.19 42.28 1b27 s LEU 95 CO 0.14 -0.28 -0.02 -0.63 0.23 0.00 0.00 176.35 175.79 1b27 s ILE 96 N -1.43 0.40 0.31 -0.59 1.01 -1.26 -2.06 121.20 117.57 1b27 s ILE 96 Ca 0.51 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.20 1b27 s ILE 96 Cb -0.26 -0.47 -0.06 0.00 0.01 0.00 0.00 42.46 41.68 1b27 s ILE 96 CO 0.33 0.21 -0.02 -0.31 0.00 0.00 0.00 174.94 175.15 1b27 s TYR 97 N 1.12 2.01 0.19 3.97 1.51 0.85 0.00 117.35 127.00 1b27 s TYR 97 Ca -0.08 -0.77 -0.01 0.00 -1.01 0.00 0.00 57.07 55.20 1b27 s TYR 97 Cb -0.14 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 1b27 s TYR 97 CO -0.01 0.21 0.10 -1.59 -1.11 0.00 0.00 175.55 173.15 1b27 s LYS 98 N -3.78 1.17 -0.10 -0.62 -2.85 -0.14 0.65 119.74 114.07 1b27 s LYS 98 Ca 0.32 -1.60 -0.09 0.00 -1.00 0.00 0.00 55.97 53.60 1b27 s LYS 98 Cb 0.06 0.16 0.03 0.00 -2.06 0.00 0.00 37.83 36.02 1b27 s LYS 98 CO 0.14 -0.33 0.26 -0.08 0.10 0.00 0.00 175.35 175.44 1b27 s THR 99 N -4.05 -0.00 -0.02 3.79 -1.32 -0.78 -0.47 115.64 112.79 1b27 s THR 99 Ca 0.35 0.01 0.03 0.00 -1.21 0.00 0.00 61.69 60.87 1b27 s THR 99 Cb 0.07 -0.38 0.04 0.00 -1.51 0.00 0.00 72.50 70.72 1b27 s THR 99 CO 0.10 0.01 0.95 0.35 -2.21 0.00 0.00 174.62 173.81 1b27 n THR 100 N 3.07 0.94 -2.40 5.08 -2.24 -1.26 -1.35 114.28 116.12 1b27 n THR 100 Ca -0.14 -0.99 -0.05 0.00 -2.27 0.00 0.00 64.05 60.59 1b27 n THR 100 Cb 0.58 0.48 0.06 0.00 -2.10 0.00 0.00 70.33 69.34 1b27 n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b27 n ASP 101 N -0.54 2.45 -3.48 3.42 5.68 -1.22 -4.66 116.55 118.19 1b27 n ASP 101 Ca 0.02 -2.74 -0.23 0.00 -0.50 0.00 0.00 54.79 51.34 1b27 n ASP 101 Cb 0.35 -0.41 0.06 0.00 -1.14 0.00 0.00 41.12 39.97 1b27 n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1b27 n HIS 102 N -0.50 -2.17 -0.99 2.11 -0.00 -1.04 -2.63 115.22 110.01 1b27 n HIS 102 Ca 0.19 0.67 0.00 0.00 -0.00 0.00 0.00 57.72 58.58 1b27 n HIS 102 Cb 0.90 -3.84 0.00 0.00 -0.00 0.00 0.00 29.99 27.05 1b27 n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1b27 n TYR 103 N -3.76 0.00 0.16 1.57 4.01 -1.26 -4.87 117.16 113.01 1b27 n TYR 103 Ca -0.10 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.50 1b27 n TYR 103 Cb 0.61 -1.45 -0.08 0.00 -0.31 0.00 0.00 39.34 38.12 1b27 n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1b27 h GLN 104 N 0.29 -0.32 -5.13 -0.72 4.20 -1.93 -3.46 115.11 108.04 1b27 h GLN 104 Ca 0.00 0.02 -0.36 0.00 0.06 0.00 0.00 58.65 58.37 1b27 h GLN 104 Cb 0.70 0.07 -0.19 0.00 0.30 0.00 0.00 27.48 28.37 1b27 h GLN 104 CO 0.00 -0.22 -0.75 0.95 -0.67 0.00 0.00 178.83 178.15 1b27 s THR 105 N -6.14 1.05 -0.00 -0.54 -4.23 -1.26 -5.12 115.64 99.40 1b27 s THR 105 Ca -0.15 -1.58 0.03 0.00 -1.18 0.00 0.00 61.69 58.82 1b27 s THR 105 Cb 0.05 -1.32 -0.01 0.00 1.34 0.00 0.00 72.50 72.56 1b27 s THR 105 CO 0.65 -0.46 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.81 1b27 s PHE 106 N -2.11 0.87 -0.09 3.99 0.08 -1.26 -4.36 117.98 115.10 1b27 s PHE 106 Ca 0.04 -0.19 0.04 0.00 0.12 0.00 0.00 56.93 56.94 1b27 s PHE 106 Cb -0.05 -0.55 -0.00 0.00 -0.57 0.00 0.00 43.02 41.84 1b27 s PHE 106 CO 0.01 -0.01 -0.24 0.99 -0.10 0.00 0.00 175.22 175.87 1b27 s THR 107 N -0.34 2.10 -0.11 0.64 2.01 0.38 -4.95 115.64 115.38 1b27 s THR 107 Ca 0.03 -1.01 -0.29 0.00 0.31 0.00 0.00 61.69 60.72 1b27 s THR 107 Cb -0.04 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1b27 s THR 107 CO -0.00 0.56 1.39 -0.75 -0.69 0.00 0.00 174.62 175.13 1b27 s LYS 108 N 0.26 4.23 0.00 4.92 2.20 -1.26 -0.97 119.74 129.12 1b27 s LYS 108 Ca -0.16 1.85 0.05 0.00 -0.36 0.00 0.00 55.97 57.35 1b27 s LYS 108 Cb -0.17 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 1b27 s LYS 108 CO 0.08 -0.73 0.28 0.44 -0.36 0.00 0.00 175.35 175.06 1b27 n ILE 109 N 5.32 0.00 -1.22 5.43 -5.35 0.10 -4.94 119.36 118.69 1b27 n ILE 109 Ca 0.15 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1b27 n ILE 109 Cb 0.44 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 1b27 n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33