#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 3.16 -0.03 0.00 -0.21 -1.26 -5.06 119.66 116.26 1b27 s GLN 2 Ca 0.00 -0.70 0.06 0.00 0.02 0.00 0.00 55.36 54.74 1b27 s GLN 2 Cb 0.00 -4.01 -0.01 0.00 1.00 0.00 0.00 33.01 29.98 1b27 s GLN 2 CO 0.00 -1.04 -0.22 0.08 -2.12 0.00 0.00 175.29 171.99 1b27 s VAL 3 N 2.52 1.74 -0.28 1.09 1.01 -1.26 -4.49 120.40 120.74 1b27 s VAL 3 Ca 0.16 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1b27 s VAL 3 Cb -0.17 -1.46 0.10 0.00 0.00 0.00 0.00 36.38 34.85 1b27 s VAL 3 CO 0.14 0.49 0.15 -0.63 0.00 0.00 0.00 175.10 175.25 1b27 s ILE 4 N -0.33 -0.11 -0.05 2.22 1.01 -1.26 -5.03 121.20 117.66 1b27 s ILE 4 Ca 0.03 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.08 1b27 s ILE 4 Cb -0.10 -0.94 0.11 0.00 0.01 0.00 0.00 42.46 41.54 1b27 s ILE 4 CO 0.01 -0.66 1.06 -0.46 0.00 0.00 0.00 174.94 174.89 1b27 n ASN 5 N 5.26 0.83 -4.99 3.58 6.94 -1.26 -4.73 115.26 120.89 1b27 n ASN 5 Ca -0.06 -2.39 -0.19 0.00 -0.02 0.00 0.00 54.58 51.93 1b27 n ASN 5 Cb 0.43 -0.28 -0.00 0.00 -2.36 0.00 0.00 39.78 37.56 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 -1.01 3.93 0.12 5.53 -4.23 -1.26 -1.03 115.64 117.69 1b27 s THR 6 Ca 0.12 -1.00 -0.24 0.00 -1.18 0.00 0.00 61.69 59.39 1b27 s THR 6 Cb 0.11 -3.35 -0.05 0.00 1.34 0.00 0.00 72.50 70.55 1b27 s THR 6 CO 0.01 -0.14 1.65 -0.26 -0.54 0.00 0.00 174.62 175.34 1b27 h PHE 7 N 0.86 -0.53 -0.32 3.99 0.04 -1.98 0.30 116.94 119.31 1b27 h PHE 7 Ca -0.45 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.18 1b27 h PHE 7 Cb 1.26 0.24 -0.01 0.00 2.20 0.00 0.00 35.95 39.64 1b27 h PHE 7 CO 0.42 -0.28 -0.43 -0.44 -0.60 0.00 0.00 178.31 176.98 1b27 h ASP 8 N -0.31 0.86 -0.22 2.17 3.32 -1.98 -1.22 116.42 119.04 1b27 h ASP 8 Ca 0.07 -0.41 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 1b27 h ASP 8 Cb 0.40 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1b27 h ASP 8 CO -0.21 1.17 -0.01 1.23 -1.72 0.00 0.00 179.24 179.70 1b27 h GLY 9 N 0.87 0.43 1.31 2.75 0.00 -1.79 -1.66 103.07 104.98 1b27 h GLY 9 Ca 0.05 -0.32 -0.16 0.00 0.00 0.00 0.00 47.33 46.89 1b27 h GLY 9 CO 0.10 0.30 -0.49 -2.08 0.00 0.00 0.00 176.54 174.36 1b27 h VAL 10 N 0.16 1.29 -0.24 4.60 2.07 -0.43 -2.33 116.25 121.37 1b27 h VAL 10 Ca 0.06 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 1b27 h VAL 10 Cb 0.42 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1b27 h VAL 10 CO 0.01 0.54 0.09 0.00 0.02 0.00 0.00 177.57 178.24 1b27 h ALA 11 N 0.87 0.31 -0.44 1.67 0.00 -1.21 0.15 119.26 120.61 1b27 h ALA 11 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1b27 h ALA 11 Cb 1.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1b27 h ALA 11 CO 0.10 -0.09 0.22 -0.44 0.00 0.00 0.00 179.25 179.05 1b27 h ASP 12 N 0.23 0.58 -0.33 0.00 3.32 -1.33 -2.10 116.42 116.80 1b27 h ASP 12 Ca 0.08 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1b27 h ASP 12 Cb 0.19 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1b27 h ASP 12 CO -0.01 0.53 0.16 0.22 -1.72 0.00 0.00 179.24 178.42 1b27 h TYR 13 N 0.58 0.47 -0.63 4.55 5.03 -1.19 -0.98 116.97 124.80 1b27 h TYR 13 Ca 0.15 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.42 1b27 h TYR 13 Cb 0.10 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.21 1b27 h TYR 13 CO -0.01 0.42 0.30 -0.07 -1.32 0.00 0.00 178.16 177.47 1b27 h LEU 14 N 0.39 0.84 -0.36 2.82 3.38 -0.54 0.19 115.31 122.03 1b27 h LEU 14 Ca 0.11 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1b27 h LEU 14 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1b27 h LEU 14 CO -0.01 0.74 -0.01 -0.61 0.09 0.00 0.00 178.44 178.64 1b27 h GLN 15 N 0.87 0.64 0.04 1.13 5.75 -1.28 0.26 115.11 122.53 1b27 h GLN 15 Ca 0.22 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1b27 h GLN 15 Cb 0.13 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.63 1b27 h GLN 15 CO -0.03 0.76 -0.02 1.15 -2.65 0.00 0.00 178.83 178.04 1b27 h THR 16 N 0.45 1.37 0.00 2.39 2.02 -0.92 -3.37 112.91 114.85 1b27 h THR 16 Ca 0.10 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.83 1b27 h THR 16 Cb 0.48 2.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1b27 h THR 16 CO 0.02 0.36 -1.01 -1.22 0.37 0.00 0.00 175.52 174.04 1b27 n TYR 17 N -4.81 0.00 -3.66 3.16 4.01 0.65 -4.99 117.16 111.52 1b27 n TYR 17 Ca -0.09 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.42 1b27 n TYR 17 Cb 0.31 -0.06 0.06 0.00 -0.31 0.00 0.00 39.34 39.34 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 -1.54 -2.43 -3.56 -0.72 8.25 0.93 -4.97 115.22 111.18 1b27 n HIS 18 Ca 0.02 0.94 -0.06 0.00 -0.26 0.00 0.00 57.72 58.37 1b27 n HIS 18 Cb 0.32 -4.68 -0.02 0.00 1.12 0.00 0.00 29.99 26.73 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 -6.14 0.66 0.53 -0.41 -2.85 -1.25 -5.05 119.74 105.23 1b27 s LYS 19 Ca 0.39 -0.27 -0.17 0.00 -1.00 0.00 0.00 55.97 54.92 1b27 s LYS 19 Cb -0.18 0.29 -0.07 0.00 -2.06 0.00 0.00 37.83 35.81 1b27 s LYS 19 CO 0.77 -0.29 1.01 -0.51 0.10 0.00 0.00 175.35 176.42 1b27 s LEU 20 N -2.45 3.63 0.84 2.77 1.43 -1.26 -3.86 118.68 119.77 1b27 s LEU 20 Ca 0.08 1.67 -0.13 0.00 -1.03 0.00 0.00 54.13 54.72 1b27 s LEU 20 Cb -0.01 -4.52 0.10 0.00 0.03 0.00 0.00 46.19 41.79 1b27 s LEU 20 CO -0.06 -0.74 1.14 -2.65 0.23 0.00 0.00 176.35 174.26 1b27 n PRO 21 N -1.60 -0.00 0.00 1.29 -0.02 -1.26 -4.88 135.00 128.53 1b27 n PRO 21 Ca 0.07 0.08 0.04 0.00 -2.02 0.00 0.00 63.50 61.67 1b27 n PRO 21 Cb 0.54 -2.38 0.21 0.00 -0.02 0.00 0.00 33.50 31.85 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 -3.36 0.00 -0.96 2.55 9.92 -1.26 -2.77 116.55 120.66 1b27 n ASP 22 Ca 0.13 -0.65 0.09 0.00 -0.53 0.00 0.00 54.79 53.83 1b27 n ASP 22 Cb 0.51 0.00 0.25 0.00 -0.64 0.00 0.00 41.12 41.24 1b27 n ASP 22 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1b27 n ASN 23 N -0.76 2.81 -4.71 -2.24 6.94 -1.26 -4.91 115.26 111.13 1b27 n ASN 23 Ca 0.05 -1.96 -0.35 0.00 -0.02 0.00 0.00 54.58 52.30 1b27 n ASN 23 Cb 0.02 -0.32 -0.09 0.00 -2.36 0.00 0.00 39.78 37.04 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 -1.37 3.28 0.04 -2.53 2.02 -1.12 -0.01 117.35 117.67 1b27 s TYR 24 Ca 0.36 0.23 0.02 0.00 -0.37 0.00 0.00 57.07 57.31 1b27 s TYR 24 Cb 0.19 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 1b27 s TYR 24 CO 0.26 0.44 -0.08 0.96 -1.57 0.00 0.00 175.55 175.56 1b27 s ILE 25 N -0.58 0.54 0.76 2.71 -4.36 0.41 -4.86 121.20 115.81 1b27 s ILE 25 Ca 0.11 -1.08 -0.11 0.00 -0.26 0.00 0.00 60.65 59.31 1b27 s ILE 25 Cb -0.12 -0.61 0.05 0.00 1.25 0.00 0.00 42.46 43.03 1b27 s ILE 25 CO 0.02 -0.38 1.08 0.42 0.24 0.00 0.00 174.94 176.32 1b27 s THR 26 N -1.39 3.49 0.45 8.37 -4.23 -1.15 -0.36 115.64 120.82 1b27 s THR 26 Ca -0.10 0.48 0.16 0.00 -1.18 0.00 0.00 61.69 61.05 1b27 s THR 26 Cb -0.10 -3.06 0.34 0.00 1.34 0.00 0.00 72.50 71.02 1b27 s THR 26 CO 0.00 -0.63 1.98 0.11 -0.54 0.00 0.00 174.62 175.55 1b27 h LYS 27 N -1.03 0.33 -0.12 3.99 1.57 -1.97 0.13 116.57 119.47 1b27 h LYS 27 Ca -0.44 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 58.11 1b27 h LYS 27 Cb 1.23 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.48 1b27 h LYS 27 CO 0.54 0.22 -0.73 0.66 -0.57 0.00 0.00 179.45 179.56 1b27 h SER 28 N 0.34 0.86 -0.57 0.86 4.64 -1.98 0.12 113.55 117.81 1b27 h SER 28 Ca 0.27 -0.65 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 1b27 h SER 28 Cb 0.61 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 1b27 h SER 28 CO -0.07 1.37 0.30 -0.33 -0.87 0.00 0.00 176.83 177.22 1b27 h GLU 29 N 0.41 0.81 -0.53 4.77 5.08 -1.79 -0.37 114.58 122.95 1b27 h GLU 29 Ca -0.06 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1b27 h GLU 29 Cb 1.37 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1b27 h GLU 29 CO 0.15 0.64 0.17 0.00 -1.00 0.00 0.00 179.01 178.96 1b27 h ALA 30 N 1.13 0.70 -0.57 3.43 0.00 -0.90 -2.55 119.26 120.50 1b27 h ALA 30 Ca 0.20 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1b27 h ALA 30 Cb 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1b27 h ALA 30 CO -0.03 0.36 0.13 1.96 0.00 0.00 0.00 179.25 181.68 1b27 h GLN 31 N 0.74 0.88 -0.04 0.00 4.20 -0.28 -0.56 115.11 120.04 1b27 h GLN 31 Ca 0.17 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1b27 h GLN 31 Cb 0.28 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1b27 h GLN 31 CO -0.01 0.79 0.01 0.00 -0.67 0.00 0.00 178.83 178.95 1b27 h ALA 32 N 1.30 1.95 -0.00 3.87 0.00 -0.86 -0.07 119.26 125.45 1b27 h ALA 32 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1b27 h ALA 32 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1b27 h ALA 32 CO -0.00 0.04 -0.13 1.28 0.00 0.00 0.00 179.25 180.44 1b27 n LEU 33 N -4.52 0.55 0.00 0.00 4.77 -0.77 -4.89 117.00 112.14 1b27 n LEU 33 Ca -0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1b27 n LEU 33 Cb 0.10 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1b27 n LEU 33 CO 0.34 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1b27 n GLY 34 N 1.29 1.42 3.74 -0.72 0.00 -0.04 -4.81 105.19 106.07 1b27 n GLY 34 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 3.22 -0.32 1.61 -0.00 -0.29 -4.93 118.94 116.23 1b27 s TRP 35 Ca 0.00 1.16 0.02 0.00 -0.00 0.00 0.00 56.10 57.28 1b27 s TRP 35 Cb 0.00 -3.64 0.10 0.00 -0.00 0.00 0.00 33.47 29.93 1b27 s TRP 35 CO 0.00 -2.04 0.07 0.08 -0.00 0.00 0.00 176.95 175.05 1b27 s VAL 36 N 0.21 1.58 0.32 5.86 1.01 -1.26 -4.60 120.40 123.51 1b27 s VAL 36 Ca 0.58 -1.84 0.07 0.00 0.00 0.00 0.00 61.98 60.79 1b27 s VAL 36 Cb -0.37 -2.16 0.34 0.00 0.00 0.00 0.00 36.38 34.19 1b27 s VAL 36 CO 0.38 -0.61 1.62 0.00 0.00 0.00 0.00 175.10 176.49 1b27 h ALA 37 N 7.85 1.52 0.00 5.51 0.00 -1.99 0.15 119.26 132.30 1b27 h ALA 37 Ca -0.09 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1b27 h ALA 37 Cb 1.02 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1b27 h ALA 37 CO 0.49 -0.59 0.00 -1.13 0.00 0.00 0.00 179.25 178.02 1b27 n SER 38 N -5.26 0.00 0.02 0.00 3.41 -1.26 -1.92 113.62 108.61 1b27 n SER 38 Ca 0.26 0.48 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 1b27 n SER 38 Cb 0.85 -0.49 0.14 0.00 -0.26 0.00 0.00 64.21 64.45 1b27 n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1b27 n LYS 39 N -1.49 0.15 -3.72 4.33 5.02 0.53 -4.95 118.16 118.03 1b27 n LYS 39 Ca 0.06 0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.12 1b27 n LYS 39 Cb 0.25 -1.57 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 1b27 n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b27 n GLY 40 N 1.42 -0.43 1.42 0.72 0.00 -0.81 -4.89 105.19 102.63 1b27 n GLY 40 Ca 0.04 0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.98 4.41 -0.18 1.61 6.94 -1.26 -3.86 115.26 119.93 1b27 n ASN 41 Ca -0.11 -3.13 -0.03 0.00 -0.02 0.00 0.00 54.58 51.29 1b27 n ASN 41 Cb 0.60 -0.64 0.07 0.00 -2.36 0.00 0.00 39.78 37.45 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 2.43 0.34 -2.08 -4.53 5.85 -1.88 -1.19 115.31 114.24 1b27 h LEU 42 Ca 0.09 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1b27 h LEU 42 Cb 1.82 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.83 1b27 h LEU 42 CO 0.43 0.22 0.00 0.00 -0.34 0.00 0.00 178.44 178.76 1b27 h ALA 43 N 1.33 1.00 0.00 1.25 0.00 -1.83 -1.11 119.26 119.90 1b27 h ALA 43 Ca 0.26 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.92 1b27 h ALA 43 Cb 0.22 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.03 1b27 h ALA 43 CO -0.21 0.00 -0.95 -0.44 0.00 0.00 0.00 179.25 177.65 1b27 h ASP 44 N 0.00 0.83 1.03 0.00 3.32 -1.58 -2.82 116.42 117.20 1b27 h ASP 44 Ca 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.30 1b27 h ASP 44 Cb 0.23 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1b27 h ASP 44 CO 0.00 1.47 -0.78 -0.37 -1.72 0.00 0.00 179.24 177.84 1b27 h VAL 45 N 0.28 0.00 -0.89 -1.35 -1.51 -1.19 -3.41 116.25 108.18 1b27 h VAL 45 Ca -0.12 -0.81 -0.36 0.00 -1.23 0.00 0.00 66.70 64.18 1b27 h VAL 45 Cb 1.62 1.38 -0.25 0.00 -2.13 0.00 0.00 31.29 31.90 1b27 h VAL 45 CO 0.19 0.00 -0.77 0.00 -1.23 0.00 0.00 177.57 175.76 1b27 n ALA 46 N -2.04 0.35 -1.59 5.19 0.00 -0.45 -4.89 120.51 117.08 1b27 n ALA 46 Ca 0.02 -2.30 -0.50 0.00 0.00 0.00 0.00 53.44 50.65 1b27 n ALA 46 Cb 0.51 -1.09 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 1b27 n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1b27 n PRO 47 N 1.14 1.24 -0.95 0.00 -0.01 -1.06 -1.13 135.00 134.23 1b27 n PRO 47 Ca 0.14 0.44 0.00 0.00 -0.01 0.00 0.00 63.50 64.08 1b27 n PRO 47 Cb 0.62 -2.03 0.00 0.00 -0.01 0.00 0.00 33.50 32.08 1b27 n PRO 47 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1b27 n GLY 48 N 2.31 0.62 3.92 -1.23 0.00 -1.26 -5.02 105.19 104.52 1b27 n GLY 48 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.29 3.47 0.21 1.61 -0.14 -0.28 -4.86 119.74 119.46 1b27 s LYS 49 Ca 0.00 -0.39 0.11 0.00 -1.36 0.00 0.00 55.97 54.33 1b27 s LYS 49 Cb 0.00 -3.00 -0.05 0.00 -1.68 0.00 0.00 37.83 33.10 1b27 s LYS 49 CO 0.00 0.58 -0.23 -1.12 -0.76 0.00 0.00 175.35 173.82 1b27 s SER 50 N -2.55 3.50 0.07 2.83 0.01 0.98 -4.82 113.70 113.72 1b27 s SER 50 Ca 0.36 -0.90 -0.31 0.00 1.31 0.00 0.00 55.95 56.42 1b27 s SER 50 Cb -0.13 -0.28 -0.06 0.00 0.21 0.00 0.00 66.02 65.76 1b27 s SER 50 CO 0.28 0.10 1.24 -0.63 0.41 0.00 0.00 173.24 174.64 1b27 s ILE 51 N -1.87 3.89 -0.29 1.44 -1.09 -1.26 -0.45 121.20 121.57 1b27 s ILE 51 Ca 0.23 1.35 -0.29 0.00 -2.23 0.00 0.00 60.65 59.71 1b27 s ILE 51 Cb -0.07 -3.87 0.19 0.00 -1.58 0.00 0.00 42.46 37.14 1b27 s ILE 51 CO 0.11 0.10 1.37 -0.83 -1.23 0.00 0.00 174.94 174.47 1b27 s GLY 52 N 1.09 0.10 0.00 6.18 0.00 0.51 -0.29 107.32 114.92 1b27 s GLY 52 Ca 0.60 2.86 0.00 0.00 0.00 0.00 0.00 44.72 48.18 1b27 s GLY 52 CO 0.29 1.11 0.00 0.61 0.00 0.00 0.00 173.10 175.11 1b27 n GLY 53 N 0.51 0.60 3.78 0.20 0.00 0.21 -2.95 105.19 107.54 1b27 n GLY 53 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.99 5.79 0.48 1.61 1.01 -1.23 -4.72 116.67 117.63 1b27 s ASP 54 Ca 0.00 2.01 -0.23 0.00 0.71 0.00 0.00 52.55 55.04 1b27 s ASP 54 Cb 0.00 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.29 1b27 s ASP 54 CO 0.00 -1.17 1.19 -0.38 0.21 0.00 0.00 175.17 175.02 1b27 n ILE 55 N -1.54 3.04 -4.06 0.77 5.41 -1.26 -2.06 119.36 119.65 1b27 n ILE 55 Ca 0.10 -0.50 -0.32 0.00 1.00 0.00 0.00 62.75 63.03 1b27 n ILE 55 Cb 0.52 -1.44 -0.15 0.00 -0.71 0.00 0.00 39.64 37.86 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 -1.29 3.18 -2.00 1.39 5.36 0.59 -4.69 117.98 120.51 1b27 s PHE 56 Ca 0.67 -2.14 0.11 0.00 -0.96 0.00 0.00 56.93 54.60 1b27 s PHE 56 Cb -0.48 -1.95 0.63 0.00 -0.34 0.00 0.00 43.02 40.89 1b27 s PHE 56 CO 0.54 -0.86 1.35 0.43 -1.46 0.00 0.00 175.22 175.23 1b27 n SER 57 N 4.49 0.00 -4.04 6.13 7.64 -1.26 -4.02 113.62 122.55 1b27 n SER 57 Ca -0.15 -1.54 -0.38 0.00 1.01 0.00 0.00 58.87 57.81 1b27 n SER 57 Cb 0.44 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.68 -2.61 0.27 6.43 5.15 -1.26 -4.78 115.26 117.79 1b27 n ASN 58 Ca 0.08 -1.11 0.17 0.00 -0.60 0.00 0.00 54.58 53.12 1b27 n ASN 58 Cb 0.04 -1.34 0.71 0.00 -0.53 0.00 0.00 39.78 38.66 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 -1.71 0.00 -0.09 1.20 3.08 -2.00 -0.68 114.38 114.18 1b27 h ARG 59 Ca -0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1b27 h ARG 59 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1b27 h ARG 59 CO 0.47 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.76 1b27 n GLU 60 N -3.03 1.75 -2.50 0.04 -0.58 -1.26 -4.95 120.64 110.11 1b27 n GLU 60 Ca 0.00 -1.72 -0.10 0.00 -0.42 0.00 0.00 57.16 54.93 1b27 n GLU 60 Cb 0.28 -1.37 0.01 0.00 -0.57 0.00 0.00 31.44 29.80 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 1.07 0.13 0.16 0.62 0.00 -0.26 -4.93 105.19 101.98 1b27 n GLY 61 Ca 0.12 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.48 0.00 -6.37 1.61 1.57 -1.93 -3.45 116.57 107.52 1b27 h LYS 62 Ca -0.23 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.01 1b27 h LYS 62 Cb 1.16 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 1b27 h LYS 62 CO 0.25 0.11 -0.18 -0.51 -0.57 0.00 0.00 179.45 178.54 1b27 s LEU 63 N -5.90 4.17 -0.16 2.94 1.43 -1.26 -5.01 118.68 114.89 1b27 s LEU 63 Ca 0.03 0.77 -0.29 0.00 -1.03 0.00 0.00 54.13 53.61 1b27 s LEU 63 Cb 0.07 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.71 1b27 s LEU 63 CO 0.74 -0.07 1.88 -2.16 0.23 0.00 0.00 176.35 176.97 1b27 s PRO 64 N -2.96 3.68 0.19 1.29 0.04 -1.26 -4.98 135.00 131.00 1b27 s PRO 64 Ca 0.45 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 63.47 1b27 s PRO 64 Cb -0.11 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.22 1b27 s PRO 64 CO 0.24 -1.45 0.39 0.20 0.04 0.00 0.00 177.00 176.42 1b27 s GLY 65 N 5.47 1.87 -0.26 0.56 0.00 -1.26 -5.08 107.32 108.63 1b27 s GLY 65 Ca 0.84 -0.78 -0.26 0.00 0.00 0.00 0.00 44.72 44.52 1b27 s GLY 65 CO 0.34 -0.73 0.99 -1.59 0.00 0.00 0.00 173.10 172.12 1b27 s LYS 66 N -3.22 0.56 0.12 2.90 -2.85 -1.26 -5.08 119.74 110.91 1b27 s LYS 66 Ca 0.39 0.55 -0.35 0.00 -1.00 0.00 0.00 55.97 55.56 1b27 s LYS 66 Cb -0.11 0.27 -0.15 0.00 -2.06 0.00 0.00 37.83 35.78 1b27 s LYS 66 CO 0.28 -0.09 1.53 0.45 0.10 0.00 0.00 175.35 177.63 1b27 n SER 67 N 1.98 2.70 0.00 0.03 2.88 -1.26 -0.91 113.62 119.04 1b27 n SER 67 Ca -0.12 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1b27 n SER 67 Cb 0.56 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1b27 n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b27 n GLY 68 N 3.23 3.28 3.73 0.46 0.00 -1.26 -5.06 105.19 109.58 1b27 n GLY 68 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.58 4.38 0.15 1.61 3.52 -0.08 -5.00 118.95 122.94 1b27 s ARG 69 Ca 0.00 0.74 0.07 0.00 -0.13 0.00 0.00 55.73 56.41 1b27 s ARG 69 Cb 0.00 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.94 1b27 s ARG 69 CO 0.00 0.20 -0.16 0.95 -0.81 0.00 0.00 175.30 175.48 1b27 s THR 70 N 0.40 1.56 0.29 4.11 -4.23 -1.26 -4.66 115.64 111.84 1b27 s THR 70 Ca 0.33 -1.85 0.10 0.00 -1.18 0.00 0.00 61.69 59.09 1b27 s THR 70 Cb -0.17 -1.71 -0.05 0.00 1.34 0.00 0.00 72.50 71.90 1b27 s THR 70 CO 0.16 -0.40 -0.09 0.26 -0.54 0.00 0.00 174.62 174.02 1b27 s TRP 71 N -2.20 2.49 0.13 3.99 0.52 -1.26 -1.39 118.94 121.22 1b27 s TRP 71 Ca 0.13 -0.32 -0.00 0.00 0.02 0.00 0.00 56.10 55.93 1b27 s TRP 71 Cb -0.05 -1.17 -0.04 0.00 -1.15 0.00 0.00 33.47 31.06 1b27 s TRP 71 CO 0.05 0.63 0.03 1.03 0.02 0.00 0.00 176.95 178.72 1b27 s ARG 72 N -3.61 0.94 0.11 4.98 0.52 0.20 -0.30 118.95 121.79 1b27 s ARG 72 Ca 0.31 -1.44 -0.02 0.00 -0.52 0.00 0.00 55.73 54.07 1b27 s ARG 72 Cb -0.04 0.12 -0.04 0.00 0.52 0.00 0.00 34.95 35.51 1b27 s ARG 72 CO 0.18 -0.21 0.05 -1.83 0.02 0.00 0.00 175.30 173.50 1b27 s GLU 73 N -4.00 0.87 -0.06 3.54 -1.05 -0.88 -1.55 118.70 115.56 1b27 s GLU 73 Ca 0.22 -1.37 -0.26 0.00 -0.15 0.00 0.00 54.97 53.42 1b27 s GLU 73 Cb 0.07 0.24 0.06 0.00 -0.44 0.00 0.00 34.13 34.06 1b27 s GLU 73 CO 0.01 -0.24 0.58 0.00 0.95 0.00 0.00 175.26 176.56 1b27 s ALA 74 N -4.01 -1.48 0.32 -0.84 0.00 0.23 -0.62 121.76 115.35 1b27 s ALA 74 Ca 0.20 1.11 -0.28 0.00 0.00 0.00 0.00 51.96 52.99 1b27 s ALA 74 Cb 0.07 -0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.99 1b27 s ALA 74 CO -0.01 -0.33 1.15 -0.51 0.00 0.00 0.00 175.76 176.06 1b27 s ASP 75 N -1.03 6.99 0.11 0.00 1.11 0.60 -1.03 116.67 123.42 1b27 s ASP 75 Ca -0.10 2.35 0.09 0.00 0.18 0.00 0.00 52.55 55.07 1b27 s ASP 75 Cb -0.02 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 1b27 s ASP 75 CO 0.07 -0.35 -0.19 -0.63 1.18 0.00 0.00 175.17 175.25 1b27 s ILE 76 N -1.24 2.78 -2.03 0.77 -1.09 -0.11 -4.75 121.20 115.52 1b27 s ILE 76 Ca 0.49 -1.48 0.00 0.00 -2.23 0.00 0.00 60.65 57.42 1b27 s ILE 76 Cb -0.33 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.30 1b27 s ILE 76 CO 0.42 0.13 0.00 0.59 -1.23 0.00 0.00 174.94 174.85 1b27 n ASN 77 N 0.91 -5.48 -4.86 3.58 3.02 -0.20 -4.57 115.26 107.67 1b27 n ASN 77 Ca -0.16 0.38 -0.37 0.00 -0.03 0.00 0.00 54.58 54.40 1b27 n ASN 77 Cb 0.53 -4.69 -0.06 0.00 -0.61 0.00 0.00 39.78 34.95 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 -2.80 3.64 0.00 3.10 6.14 -1.26 -4.97 117.35 121.20 1b27 s TYR 78 Ca 0.00 0.68 0.00 0.00 0.64 0.00 0.00 57.07 58.39 1b27 s TYR 78 Cb 0.00 -2.07 0.00 0.00 0.42 0.00 0.00 41.96 40.31 1b27 s TYR 78 CO 0.00 0.69 0.00 2.41 0.64 0.00 0.00 175.55 179.29 1b27 n THR 79 N 1.99 0.00 -3.80 4.34 -1.04 -1.26 -4.90 114.28 109.61 1b27 n THR 79 Ca -0.18 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.79 1b27 n THR 79 Cb 0.54 -0.77 -0.00 0.00 -1.82 0.00 0.00 70.33 68.27 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 -4.42 -0.12 0.04 8.00 1.04 -1.26 -4.74 113.70 112.23 1b27 s SER 80 Ca 0.00 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1b27 s SER 80 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1b27 s SER 80 CO 0.00 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1b27 n GLY 81 N -0.53 -0.63 3.77 7.32 0.00 -1.25 -4.87 105.19 109.00 1b27 n GLY 81 Ca -0.05 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 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 3.13 0.53 1.61 0.08 -1.26 -4.60 117.98 117.47 1b27 s PHE 82 Ca 0.00 1.57 -0.20 0.00 0.12 0.00 0.00 56.93 58.42 1b27 s PHE 82 Cb 0.00 -3.36 -0.06 0.00 -0.57 0.00 0.00 43.02 39.04 1b27 s PHE 82 CO 0.00 -1.19 1.18 1.03 -0.10 0.00 0.00 175.22 176.14 1b27 s ARG 83 N -2.25 3.35 0.00 0.44 0.52 -1.26 -5.02 118.95 114.74 1b27 s ARG 83 Ca 0.56 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 57.53 1b27 s ARG 83 Cb -0.30 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.05 1b27 s ARG 83 CO 0.38 -0.88 0.00 0.27 0.02 0.00 0.00 175.30 175.08 1b27 n ASN 84 N -1.12 0.00 -0.90 0.23 0.23 -1.26 -5.04 115.26 107.40 1b27 n ASN 84 Ca 0.11 -0.15 0.08 0.00 -0.53 0.00 0.00 54.58 54.08 1b27 n ASN 84 Cb 0.49 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.43 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 -0.46 3.74 -4.64 0.53 3.41 -1.26 -4.99 113.62 109.95 1b27 n SER 85 Ca 0.00 -2.71 -0.35 0.00 -0.26 0.00 0.00 58.87 55.55 1b27 n SER 85 Cb 0.00 -0.47 -0.10 0.00 -0.26 0.00 0.00 64.21 63.39 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 -1.58 5.44 0.01 4.04 1.01 -1.26 -2.13 116.67 122.20 1b27 s ASP 86 Ca 0.38 0.09 -0.10 0.00 0.71 0.00 0.00 52.55 53.63 1b27 s ASP 86 Cb 0.28 -1.82 0.01 0.00 1.01 0.00 0.00 42.92 42.40 1b27 s ASP 86 CO 0.12 0.24 0.20 -0.13 0.21 0.00 0.00 175.17 175.81 1b27 s ARG 87 N -0.05 0.62 -0.11 8.23 1.81 -0.19 -0.93 118.95 128.33 1b27 s ARG 87 Ca 0.05 -0.45 -0.01 0.00 -1.72 0.00 0.00 55.73 53.60 1b27 s ARG 87 Cb -0.12 0.26 -0.03 0.00 -0.45 0.00 0.00 34.95 34.61 1b27 s ARG 87 CO 0.01 -0.17 -0.05 -1.50 -0.68 0.00 0.00 175.30 172.92 1b27 s ILE 88 N -1.88 3.84 -0.13 1.52 2.07 -0.19 -1.33 121.20 125.10 1b27 s ILE 88 Ca -0.10 -0.41 0.02 0.00 -1.41 0.00 0.00 60.65 58.75 1b27 s ILE 88 Cb -0.04 -2.62 -0.00 0.00 0.13 0.00 0.00 42.46 39.93 1b27 s ILE 88 CO -0.00 0.56 -0.19 -0.76 -1.91 0.00 0.00 174.94 172.64 1b27 s LEU 89 N -0.34 2.32 -0.07 8.50 2.01 -0.52 -0.61 118.68 129.98 1b27 s LEU 89 Ca 0.05 -0.50 -0.04 0.00 0.01 0.00 0.00 54.13 53.66 1b27 s LEU 89 Cb -0.12 -1.50 0.03 0.00 0.01 0.00 0.00 46.19 44.61 1b27 s LEU 89 CO 0.02 0.12 0.16 -0.72 1.01 0.00 0.00 176.35 176.95 1b27 s TYR 90 N 0.57 -0.19 0.48 0.29 1.13 -0.60 -1.00 117.35 118.04 1b27 s TYR 90 Ca -0.11 0.50 0.06 0.00 -1.41 0.00 0.00 57.07 56.11 1b27 s TYR 90 Cb -0.16 -0.02 0.03 0.00 -1.10 0.00 0.00 41.96 40.71 1b27 s TYR 90 CO 0.04 -0.15 0.66 -1.54 -2.51 0.00 0.00 175.55 172.05 1b27 s SER 91 N 0.83 5.46 0.49 -0.18 1.04 -0.85 -0.63 113.70 119.86 1b27 s SER 91 Ca -0.06 -0.36 0.28 0.00 0.48 0.00 0.00 55.95 56.29 1b27 s SER 91 Cb -0.08 -0.60 1.09 0.00 0.10 0.00 0.00 66.02 66.53 1b27 s SER 91 CO -0.04 -0.95 1.89 0.77 0.98 0.00 0.00 173.24 175.88 1b27 h SER 92 N 0.41 0.00 -0.66 7.02 4.64 -1.58 -1.11 113.55 122.27 1b27 h SER 92 Ca -0.39 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.78 1b27 h SER 92 Cb 1.28 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.29 1b27 h SER 92 CO 0.46 0.12 0.17 -0.90 -0.87 0.00 0.00 176.83 175.82 1b27 n ASP 93 N -3.27 5.03 -3.03 4.97 5.75 -1.26 -4.98 116.55 119.77 1b27 n ASP 93 Ca 0.00 -3.15 -0.23 0.00 -0.01 0.00 0.00 54.79 51.41 1b27 n ASP 93 Cb 0.38 -0.72 0.04 0.00 -1.03 0.00 0.00 41.12 39.79 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 0.03 -1.98 -2.46 2.11 7.02 -0.42 -5.02 117.44 116.73 1b27 n TRP 94 Ca 0.36 0.53 -0.40 0.00 -1.02 0.00 0.00 57.50 56.96 1b27 n TRP 94 Cb 1.31 -4.50 -0.04 0.00 -2.42 0.00 0.00 31.31 25.66 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 -6.70 4.54 -0.14 -0.99 1.43 -1.26 -4.83 118.68 110.73 1b27 s LEU 95 Ca 0.31 2.27 0.01 0.00 -1.03 0.00 0.00 54.13 55.68 1b27 s LEU 95 Cb -0.14 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.48 1b27 s LEU 95 CO 0.38 -0.18 -0.15 -0.63 0.23 0.00 0.00 176.35 176.01 1b27 s ILE 96 N -1.02 1.56 0.34 -0.59 -1.09 -1.26 -2.02 121.20 117.12 1b27 s ILE 96 Ca 0.45 -0.64 0.09 0.00 -2.23 0.00 0.00 60.65 58.33 1b27 s ILE 96 Cb -0.32 -1.46 -0.06 0.00 -1.58 0.00 0.00 42.46 39.04 1b27 s ILE 96 CO 0.41 0.46 -0.10 -0.31 -1.23 0.00 0.00 174.94 174.16 1b27 s TYR 97 N 1.36 2.36 0.04 3.97 1.51 -0.17 -1.73 117.35 124.71 1b27 s TYR 97 Ca 0.02 -0.50 -0.03 0.00 -1.01 0.00 0.00 57.07 55.54 1b27 s TYR 97 Cb -0.13 -1.34 -0.02 0.00 -0.11 0.00 0.00 41.96 40.36 1b27 s TYR 97 CO -0.08 0.57 0.04 -1.59 -1.11 0.00 0.00 175.55 173.38 1b27 s LYS 98 N -3.61 0.58 -0.02 -0.62 -2.85 0.21 -1.43 119.74 111.98 1b27 s LYS 98 Ca 0.32 -0.91 -0.02 0.00 -1.00 0.00 0.00 55.97 54.36 1b27 s LYS 98 Cb 0.02 0.22 0.01 0.00 -2.06 0.00 0.00 37.83 36.01 1b27 s LYS 98 CO 0.16 -0.13 0.07 -0.08 0.10 0.00 0.00 175.35 175.47 1b27 s THR 99 N -2.98 0.00 -0.08 3.79 -1.32 -0.44 -0.51 115.64 114.09 1b27 s THR 99 Ca -0.02 -0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.47 1b27 s THR 99 Cb 0.01 -0.10 0.01 0.00 -1.51 0.00 0.00 72.50 70.91 1b27 s THR 99 CO -0.06 -0.00 0.74 0.35 -2.21 0.00 0.00 174.62 173.43 1b27 n THR 100 N 3.04 0.43 -2.32 5.08 -2.24 -1.26 -1.02 114.28 116.00 1b27 n THR 100 Ca -0.12 -0.72 -0.18 0.00 -2.27 0.00 0.00 64.05 60.77 1b27 n THR 100 Cb 0.60 0.79 0.03 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.16 3.88 -3.52 3.42 5.68 -1.23 -4.66 116.55 119.95 1b27 n ASP 101 Ca 0.01 -3.26 -0.19 0.00 -0.50 0.00 0.00 54.79 50.84 1b27 n ASP 101 Cb 0.12 -0.40 0.02 0.00 -1.14 0.00 0.00 41.12 39.72 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 -0.62 -2.30 -1.30 2.11 -0.00 -0.91 -2.63 115.22 109.58 1b27 n HIS 102 Ca 0.32 0.80 -0.10 0.00 -0.00 0.00 0.00 57.72 58.74 1b27 n HIS 102 Cb 0.88 -3.42 -0.04 0.00 -0.00 0.00 0.00 29.99 27.40 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 -2.89 0.00 0.02 1.57 4.02 -1.26 -4.88 117.16 113.74 1b27 n TYR 103 Ca -0.14 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.63 1b27 n TYR 103 Cb 0.60 -2.64 -0.09 0.00 -0.02 0.00 0.00 39.34 37.18 1b27 n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1b27 h GLN 104 N 0.03 -0.12 -5.92 -0.72 4.20 -1.92 -3.45 115.11 107.20 1b27 h GLN 104 Ca -0.21 0.01 -0.52 0.00 0.06 0.00 0.00 58.65 57.99 1b27 h GLN 104 Cb 1.13 0.03 -0.22 0.00 0.30 0.00 0.00 27.48 28.71 1b27 h GLN 104 CO 0.31 0.39 -0.81 0.95 -0.67 0.00 0.00 178.83 179.00 1b27 s THR 105 N -3.63 1.54 -0.05 -0.54 -4.23 -1.26 -5.12 115.64 102.35 1b27 s THR 105 Ca -0.15 -1.44 0.05 0.00 -1.18 0.00 0.00 61.69 58.97 1b27 s THR 105 Cb 0.01 -1.41 -0.00 0.00 1.34 0.00 0.00 72.50 72.43 1b27 s THR 105 CO 0.57 -0.08 -0.19 -0.36 -0.54 0.00 0.00 174.62 174.03 1b27 s PHE 106 N -1.15 1.86 -0.12 3.99 0.40 -1.26 -4.48 117.98 117.22 1b27 s PHE 106 Ca 0.04 -0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1b27 s PHE 106 Cb -0.10 -1.24 -0.02 0.00 0.51 0.00 0.00 43.02 42.16 1b27 s PHE 106 CO 0.03 -0.18 -0.08 0.99 0.70 0.00 0.00 175.22 176.69 1b27 s THR 107 N 0.00 3.56 -0.17 0.64 2.01 0.33 -4.89 115.64 117.13 1b27 s THR 107 Ca -0.04 -0.49 -0.29 0.00 0.31 0.00 0.00 61.69 61.18 1b27 s THR 107 Cb -0.12 -2.51 -0.00 0.00 0.01 0.00 0.00 72.50 69.88 1b27 s THR 107 CO 0.03 0.53 1.08 -0.75 -0.69 0.00 0.00 174.62 174.81 1b27 s LYS 108 N 0.05 4.31 0.00 4.92 2.20 -1.26 -0.62 119.74 129.33 1b27 s LYS 108 Ca -0.02 1.44 0.08 0.00 -0.36 0.00 0.00 55.97 57.11 1b27 s LYS 108 Cb -0.14 -3.62 -0.01 0.00 -1.51 0.00 0.00 37.83 32.54 1b27 s LYS 108 CO 0.03 -0.54 0.53 0.44 -0.36 0.00 0.00 175.35 175.45 1b27 n ILE 109 N 5.06 0.00 -0.86 5.43 -5.35 -0.70 -4.97 119.36 117.96 1b27 n ILE 109 Ca 0.11 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1b27 n ILE 109 Cb 0.47 1.08 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 1b27 n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33