#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b20 s ILE 4 N 0.00 4.83 0.00 2.52 1.01 -1.26 -4.84 121.20 123.46 1b20 s ILE 4 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.56 1b20 s ILE 4 Cb 0.00 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1b20 s ILE 4 CO 0.00 -0.48 0.89 -0.46 0.00 0.00 0.00 174.94 174.89 1b20 n ASN 5 N 5.08 0.00 -4.97 3.58 6.94 -1.26 -4.79 115.26 119.84 1b20 n ASN 5 Ca -0.11 -1.77 -0.21 0.00 -0.02 0.00 0.00 54.58 52.46 1b20 n ASN 5 Cb 0.44 -0.15 -0.01 0.00 -2.36 0.00 0.00 39.78 37.70 1b20 n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1b20 s THR 6 N 0.00 4.47 0.11 5.53 -4.23 -1.26 -1.00 115.64 119.26 1b20 s THR 6 Ca 0.00 -0.84 -0.25 0.00 -1.18 0.00 0.00 61.69 59.42 1b20 s THR 6 Cb 0.00 -3.59 -0.09 0.00 1.34 0.00 0.00 72.50 70.16 1b20 s THR 6 CO 0.00 -0.28 1.67 -0.26 -0.54 0.00 0.00 174.62 175.21 1b20 h PHE 7 N 0.85 -0.44 -0.72 3.99 0.04 -1.99 0.42 116.94 119.10 1b20 h PHE 7 Ca -0.48 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.25 1b20 h PHE 7 Cb 1.24 0.18 -0.03 0.00 2.20 0.00 0.00 35.95 39.55 1b20 h PHE 7 CO 0.45 -0.25 0.26 -0.44 -0.60 0.00 0.00 178.31 177.72 1b20 h ASP 8 N -0.32 1.03 0.03 2.17 3.32 -1.99 -0.91 116.42 119.75 1b20 h ASP 8 Ca 0.03 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 1b20 h ASP 8 Cb 0.34 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1b20 h ASP 8 CO -0.10 0.94 -0.01 1.23 -1.72 0.00 0.00 179.24 179.58 1b20 h GLY 9 N 1.05 -0.04 1.25 2.75 0.00 -1.90 -1.50 103.07 104.68 1b20 h GLY 9 Ca 0.24 0.02 -0.18 0.00 0.00 0.00 0.00 47.33 47.40 1b20 h GLY 9 CO -0.01 -0.02 -0.55 -2.08 0.00 0.00 0.00 176.54 173.89 1b20 h VAL 10 N -0.10 1.29 -0.70 4.60 2.07 -0.93 -1.80 116.25 120.67 1b20 h VAL 10 Ca -0.00 -1.75 0.02 0.00 0.82 0.00 0.00 66.70 65.79 1b20 h VAL 10 Cb 0.09 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1b20 h VAL 10 CO 0.01 0.56 0.44 0.00 0.02 0.00 0.00 177.57 178.60 1b20 h ALA 11 N 0.78 0.91 -0.24 1.67 0.00 -0.98 -0.02 119.26 121.37 1b20 h ALA 11 Ca 0.01 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1b20 h ALA 11 Cb 1.14 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1b20 h ALA 11 CO 0.12 0.24 -0.51 -0.44 0.00 0.00 0.00 179.25 178.66 1b20 h ASP 12 N 0.88 0.75 -0.59 0.00 3.32 -1.25 -1.73 116.42 117.79 1b20 h ASP 12 Ca 0.27 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1b20 h ASP 12 Cb -0.01 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1b20 h ASP 12 CO -0.09 1.12 0.35 0.22 -1.72 0.00 0.00 179.24 179.11 1b20 h TYR 13 N 0.53 0.79 -0.68 4.55 5.03 -1.03 -1.59 116.97 124.58 1b20 h TYR 13 Ca 0.02 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.25 1b20 h TYR 13 Cb 1.06 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 39.06 1b20 h TYR 13 CO 0.05 0.55 0.15 -0.07 -1.32 0.00 0.00 178.16 177.53 1b20 h LEU 14 N 0.80 1.04 -0.83 2.82 3.38 -0.75 0.90 115.31 122.69 1b20 h LEU 14 Ca 0.21 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1b20 h LEU 14 Cb 0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1b20 h LEU 14 CO -0.04 1.01 -0.54 1.56 0.09 0.00 0.00 178.44 180.53 1b20 h GLN 15 N 1.02 0.00 0.07 1.13 4.20 -1.05 0.78 115.11 121.27 1b20 h GLN 15 Ca 0.21 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.67 1b20 h GLN 15 Cb 0.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1b20 h GLN 15 CO 0.01 0.54 -1.33 1.15 -0.67 0.00 0.00 178.83 178.52 1b20 h THR 16 N 0.00 1.00 -0.01 -0.54 2.02 -1.08 -3.41 112.91 110.89 1b20 h THR 16 Ca -0.01 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1b20 h THR 16 Cb 1.02 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.03 1b20 h THR 16 CO 0.07 0.61 -0.14 -1.22 0.37 0.00 0.00 175.52 175.21 1b20 n TYR 17 N -4.07 0.00 -3.76 3.16 4.01 0.29 -5.02 117.16 111.78 1b20 n TYR 17 Ca -0.27 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.24 1b20 n TYR 17 Cb 0.82 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.87 1b20 n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1b20 n HIS 18 N 0.20 -1.85 -3.63 -0.72 8.25 0.27 -4.97 115.22 112.76 1b20 n HIS 18 Ca 0.06 0.76 -0.03 0.00 -0.26 0.00 0.00 57.72 58.25 1b20 n HIS 18 Cb 0.28 -4.06 -0.03 0.00 1.12 0.00 0.00 29.99 27.31 1b20 n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1b20 s LYS 19 N -6.09 0.09 0.56 -0.41 -2.85 -1.26 -5.08 119.74 104.70 1b20 s LYS 19 Ca 0.08 -0.02 -0.16 0.00 -1.00 0.00 0.00 55.97 54.87 1b20 s LYS 19 Cb -0.03 0.04 -0.05 0.00 -2.06 0.00 0.00 37.83 35.73 1b20 s LYS 19 CO 0.84 -0.04 1.04 -0.51 0.10 0.00 0.00 175.35 176.78 1b20 s LEU 20 N -1.80 3.57 0.93 2.77 1.43 -1.26 -4.21 118.68 120.11 1b20 s LEU 20 Ca 0.10 1.77 -0.12 0.00 -1.03 0.00 0.00 54.13 54.85 1b20 s LEU 20 Cb -0.01 -4.53 0.06 0.00 0.03 0.00 0.00 46.19 41.74 1b20 s LEU 20 CO -0.04 -0.97 0.61 -2.65 0.23 0.00 0.00 176.35 173.53 1b20 n PRO 21 N -1.79 -0.28 0.00 1.29 -0.02 -1.26 -4.89 135.00 128.06 1b20 n PRO 21 Ca 0.08 -0.03 0.04 0.00 -2.02 0.00 0.00 63.50 61.57 1b20 n PRO 21 Cb 0.53 -2.00 0.19 0.00 -0.02 0.00 0.00 33.50 32.21 1b20 n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1b20 n ASP 22 N -2.01 0.00 -0.37 2.55 8.00 -1.26 -2.62 116.55 120.85 1b20 n ASP 22 Ca 0.08 0.45 0.05 0.00 0.71 0.00 0.00 54.79 56.08 1b20 n ASP 22 Cb 0.53 -0.47 0.20 0.00 -0.02 0.00 0.00 41.12 41.36 1b20 n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1b20 n ASN 23 N -1.47 1.08 -4.64 -2.24 6.94 -1.26 -4.85 115.26 108.82 1b20 n ASN 23 Ca 0.02 -1.87 -0.35 0.00 -0.02 0.00 0.00 54.58 52.36 1b20 n ASN 23 Cb 0.10 -0.12 -0.10 0.00 -2.36 0.00 0.00 39.78 37.30 1b20 n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1b20 s TYR 24 N -1.77 3.22 0.17 -2.53 2.02 -1.08 -0.90 117.35 116.50 1b20 s TYR 24 Ca 0.19 0.07 0.09 0.00 -0.37 0.00 0.00 57.07 57.05 1b20 s TYR 24 Cb 0.10 -1.99 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 1b20 s TYR 24 CO 0.14 0.23 -0.18 0.96 -1.57 0.00 0.00 175.55 175.12 1b20 s ILE 25 N 0.02 1.87 0.84 2.71 -4.36 -0.58 -4.88 121.20 116.83 1b20 s ILE 25 Ca 0.05 -1.96 -0.12 0.00 -0.26 0.00 0.00 60.65 58.35 1b20 s ILE 25 Cb -0.12 -1.89 0.10 0.00 1.25 0.00 0.00 42.46 41.79 1b20 s ILE 25 CO 0.01 -0.32 1.17 0.42 0.24 0.00 0.00 174.94 176.46 1b20 s THR 26 N -2.10 2.00 0.17 8.37 -4.23 -1.20 -0.85 115.64 117.79 1b20 s THR 26 Ca 0.17 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.54 1b20 s THR 26 Cb -0.05 -2.93 0.05 0.00 1.34 0.00 0.00 72.50 70.91 1b20 s THR 26 CO 0.07 0.00 1.79 0.11 -0.54 0.00 0.00 174.62 176.05 1b20 h LYS 27 N -1.20 0.48 -0.53 3.99 1.57 -1.96 0.45 116.57 119.36 1b20 h LYS 27 Ca -0.47 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1b20 h LYS 27 Cb 1.33 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 1b20 h LYS 27 CO 0.64 0.32 0.29 1.03 -0.57 0.00 0.00 179.45 181.16 1b20 h SER 28 N 0.49 0.66 -0.78 0.86 0.87 -1.99 0.11 113.55 113.78 1b20 h SER 28 Ca 0.19 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1b20 h SER 28 Cb 0.07 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 1b20 h SER 28 CO -0.12 0.56 0.44 -0.33 -0.53 0.00 0.00 176.83 176.85 1b20 h GLU 29 N 0.71 1.08 -0.35 2.24 5.08 -1.81 -1.56 114.58 119.96 1b20 h GLU 29 Ca 0.19 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 1b20 h GLU 29 Cb 0.04 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1b20 h GLU 29 CO -0.03 0.78 -0.42 0.00 -1.00 0.00 0.00 179.01 178.34 1b20 h ALA 30 N 1.40 0.58 -0.75 3.43 0.00 -0.48 -2.85 119.26 120.59 1b20 h ALA 30 Ca 0.28 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1b20 h ALA 30 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1b20 h ALA 30 CO -0.05 0.68 0.39 1.96 0.00 0.00 0.00 179.25 182.23 1b20 h GLN 31 N 0.72 1.06 0.00 0.00 4.20 -0.47 -1.12 115.11 119.50 1b20 h GLN 31 Ca 0.05 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1b20 h GLN 31 Cb 1.01 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 1b20 h GLN 31 CO 0.10 0.79 -0.09 0.00 -0.67 0.00 0.00 178.83 178.97 1b20 h ALA 32 N 1.37 1.31 -0.12 3.87 0.00 -1.07 -1.09 119.26 123.54 1b20 h ALA 32 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1b20 h ALA 32 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1b20 h ALA 32 CO -0.04 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1b20 n LEU 33 N -3.65 1.67 0.00 0.00 4.77 -0.52 -4.92 117.00 114.36 1b20 n LEU 33 Ca -0.02 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1b20 n LEU 33 Cb 0.20 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1b20 n LEU 33 CO 0.29 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1b20 n GLY 34 N 1.16 0.88 3.68 -0.72 0.00 -0.41 -4.87 105.19 104.91 1b20 n GLY 34 Ca 0.17 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1b20 n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b20 s TRP 35 N -2.00 2.67 -0.31 1.61 -0.00 -0.65 -4.95 118.94 115.30 1b20 s TRP 35 Ca 0.00 0.69 -0.00 0.00 -0.00 0.00 0.00 56.10 56.78 1b20 s TRP 35 Cb 0.00 -3.72 0.07 0.00 -0.00 0.00 0.00 33.47 29.82 1b20 s TRP 35 CO 0.00 -2.74 0.02 0.08 -0.00 0.00 0.00 176.95 174.30 1b20 s VAL 36 N 2.79 2.78 0.26 5.86 1.01 -1.26 -4.46 120.40 127.37 1b20 s VAL 36 Ca 0.65 -1.67 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1b20 s VAL 36 Cb -0.32 -2.72 0.24 0.00 0.00 0.00 0.00 36.38 33.59 1b20 s VAL 36 CO 0.26 -0.25 1.81 0.00 0.00 0.00 0.00 175.10 176.92 1b20 h ALA 37 N 7.91 1.28 0.00 5.51 0.00 -1.99 -0.75 119.26 131.23 1b20 h ALA 37 Ca -0.17 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1b20 h ALA 37 Cb 1.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1b20 h ALA 37 CO 0.54 0.10 0.00 0.43 0.00 0.00 0.00 179.25 180.33 1b20 n SER 38 N -4.73 0.07 -0.15 0.00 7.64 -1.26 -1.77 113.62 113.41 1b20 n SER 38 Ca 0.16 0.52 0.10 0.00 1.01 0.00 0.00 58.87 60.65 1b20 n SER 38 Cb 0.32 -0.53 -0.08 0.00 -1.01 0.00 0.00 64.21 62.91 1b20 n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1b20 n LYS 39 N -1.57 0.77 -3.40 1.43 5.02 -0.31 -4.99 118.16 115.10 1b20 n LYS 39 Ca 0.03 -0.31 -0.22 0.00 -2.02 0.00 0.00 58.31 55.78 1b20 n LYS 39 Cb 0.14 -1.43 0.07 0.00 -0.02 0.00 0.00 35.03 33.79 1b20 n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b20 n GLY 40 N 1.43 -0.47 1.48 0.72 0.00 -0.73 -4.89 105.19 102.73 1b20 n GLY 40 Ca 0.05 0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.26 1b20 n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b20 n ASN 41 N -2.67 4.28 -0.20 1.61 6.94 -1.24 -3.77 115.26 120.21 1b20 n ASN 41 Ca -0.02 -3.20 -0.02 0.00 -0.02 0.00 0.00 54.58 51.32 1b20 n ASN 41 Cb 0.57 -0.65 0.08 0.00 -2.36 0.00 0.00 39.78 37.42 1b20 n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1b20 h LEU 42 N 2.28 0.37 -1.44 -4.53 5.85 -1.87 -1.22 115.31 114.74 1b20 h LEU 42 Ca 0.14 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1b20 h LEU 42 Cb 1.89 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.90 1b20 h LEU 42 CO 0.48 0.24 -0.01 0.00 -0.34 0.00 0.00 178.44 178.80 1b20 h ALA 43 N 1.34 1.00 -0.11 1.25 0.00 -1.84 0.23 119.26 121.14 1b20 h ALA 43 Ca 0.27 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1b20 h ALA 43 Cb 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1b20 h ALA 43 CO -0.22 0.02 -0.32 0.22 0.00 0.00 0.00 179.25 178.95 1b20 h ASP 44 N 0.00 0.48 0.63 0.00 3.58 -1.60 -2.95 116.42 116.56 1b20 h ASP 44 Ca -0.00 -0.60 -0.27 0.00 0.42 0.00 0.00 57.03 56.58 1b20 h ASP 44 Cb 0.53 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 1b20 h ASP 44 CO 0.00 0.99 -1.43 -0.37 -2.88 0.00 0.00 179.24 175.55 1b20 h VAL 45 N -0.01 1.22 -2.07 2.25 -1.51 -0.89 -3.41 116.25 111.84 1b20 h VAL 45 Ca -0.01 -2.96 -0.57 0.00 -1.23 0.00 0.00 66.70 61.93 1b20 h VAL 45 Cb 0.94 2.67 -0.39 0.00 -2.13 0.00 0.00 31.29 32.38 1b20 h VAL 45 CO 0.07 0.76 -1.03 0.00 -1.23 0.00 0.00 177.57 176.14 1b20 n ALA 46 N -2.54 2.67 -1.61 5.19 0.00 0.03 -5.01 120.51 119.24 1b20 n ALA 46 Ca -0.12 -3.54 -0.53 0.00 0.00 0.00 0.00 53.44 49.25 1b20 n ALA 46 Cb 1.01 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 19.58 1b20 n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1b20 n PRO 47 N 1.48 1.16 0.00 0.00 -0.04 -1.11 -1.44 135.00 135.05 1b20 n PRO 47 Ca 0.23 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1b20 n PRO 47 Cb 0.51 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1b20 n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b20 n GLY 48 N 2.80 1.53 3.95 0.55 0.00 -1.26 -5.04 105.19 107.71 1b20 n GLY 48 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1b20 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b20 s LYS 49 N -0.82 3.47 0.19 1.61 -0.14 -0.52 -4.83 119.74 118.70 1b20 s LYS 49 Ca 0.00 -0.51 0.08 0.00 -1.36 0.00 0.00 55.97 54.18 1b20 s LYS 49 Cb 0.00 -2.80 -0.04 0.00 -1.68 0.00 0.00 37.83 33.31 1b20 s LYS 49 CO 0.00 0.32 -0.16 -1.12 -0.76 0.00 0.00 175.35 173.64 1b20 s SER 50 N -3.81 2.60 0.06 2.83 0.01 -0.07 -4.80 113.70 110.51 1b20 s SER 50 Ca 0.37 -0.97 -0.30 0.00 1.31 0.00 0.00 55.95 56.36 1b20 s SER 50 Cb -0.10 -0.14 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 1b20 s SER 50 CO 0.32 -0.13 0.99 -0.63 0.41 0.00 0.00 173.24 174.20 1b20 s ILE 51 N -2.68 4.61 -0.19 1.44 -1.09 -1.26 -1.52 121.20 120.51 1b20 s ILE 51 Ca 0.20 2.01 -0.34 0.00 -2.23 0.00 0.00 60.65 60.29 1b20 s ILE 51 Cb -0.02 -4.29 0.14 0.00 -1.58 0.00 0.00 42.46 36.71 1b20 s ILE 51 CO 0.07 0.23 1.19 -0.83 -1.23 0.00 0.00 174.94 174.37 1b20 s GLY 52 N 0.53 -0.25 0.00 6.18 0.00 -0.03 -0.22 107.32 113.53 1b20 s GLY 52 Ca 0.50 1.76 0.00 0.00 0.00 0.00 0.00 44.72 46.99 1b20 s GLY 52 CO 0.29 0.64 0.00 0.61 0.00 0.00 0.00 173.10 174.64 1b20 n GLY 53 N 0.05 1.20 3.81 0.20 0.00 0.74 -3.26 105.19 107.92 1b20 n GLY 53 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1b20 n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b20 s ASP 54 N -1.92 6.23 0.42 1.61 1.01 -1.23 -4.75 116.67 118.04 1b20 s ASP 54 Ca 0.00 1.83 -0.25 0.00 0.71 0.00 0.00 52.55 54.84 1b20 s ASP 54 Cb 0.00 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.31 1b20 s ASP 54 CO 0.00 -0.86 1.26 -0.63 0.21 0.00 0.00 175.17 175.15 1b20 s ILE 55 N -2.23 2.77 -0.20 0.77 1.01 -1.26 -1.32 121.20 120.73 1b20 s ILE 55 Ca 0.65 0.65 -0.01 0.00 0.00 0.00 0.00 60.65 61.94 1b20 s ILE 55 Cb -0.15 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 38.97 1b20 s ILE 55 CO 0.27 0.07 -0.13 0.12 0.00 0.00 0.00 174.94 175.26 1b20 s PHE 56 N -1.34 2.89 0.35 3.97 5.36 0.23 -4.83 117.98 124.62 1b20 s PHE 56 Ca 0.59 -1.45 0.11 0.00 -0.96 0.00 0.00 56.93 55.22 1b20 s PHE 56 Cb -0.35 -1.99 0.66 0.00 -0.34 0.00 0.00 43.02 40.99 1b20 s PHE 56 CO 0.44 -0.72 1.80 0.66 -1.46 0.00 0.00 175.22 175.94 1b20 h SER 57 N 7.99 0.09 -3.06 6.13 4.64 -1.95 -3.38 113.55 124.02 1b20 h SER 57 Ca -0.42 -0.03 -0.34 0.00 -0.47 0.00 0.00 61.79 60.53 1b20 h SER 57 Cb 1.14 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1b20 h SER 57 CO 0.61 0.44 -0.47 -3.20 -0.87 0.00 0.00 176.83 173.35 1b20 n ASN 58 N -4.10 -5.18 -0.24 4.97 5.15 -1.26 -4.87 115.26 109.73 1b20 n ASN 58 Ca -0.02 -0.12 0.01 0.00 -0.60 0.00 0.00 54.58 53.85 1b20 n ASN 58 Cb 0.41 -4.15 0.23 0.00 -0.53 0.00 0.00 39.78 35.74 1b20 n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1b20 h ARG 59 N -0.54 1.02 0.00 1.20 2.43 -2.00 -1.74 114.38 114.75 1b20 h ARG 59 Ca -0.42 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1b20 h ARG 59 Cb 1.30 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1b20 h ARG 59 CO 0.47 0.67 0.00 0.39 -1.51 0.00 0.00 179.97 180.00 1b20 n GLU 60 N -4.43 0.09 -1.58 0.20 1.02 -1.26 -4.92 120.64 109.76 1b20 n GLU 60 Ca 0.09 0.11 -0.10 0.00 -0.02 0.00 0.00 57.16 57.24 1b20 n GLU 60 Cb 0.06 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.94 1b20 n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b20 n GLY 61 N 0.70 0.79 0.00 0.62 0.00 -0.65 -4.91 105.19 101.73 1b20 n GLY 61 Ca 0.07 -0.53 0.14 0.00 0.00 0.00 0.00 46.02 45.70 1b20 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b20 n LYS 62 N -2.48 0.01 -4.19 1.61 5.02 -1.26 -4.71 118.16 112.15 1b20 n LYS 62 Ca -0.11 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.89 1b20 n LYS 62 Cb 0.42 -1.51 -0.09 0.00 -0.02 0.00 0.00 35.03 33.83 1b20 n LYS 62 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1b20 s LEU 63 N -3.03 3.19 0.33 -0.35 1.43 -1.26 -4.87 118.68 114.11 1b20 s LEU 63 Ca 0.13 -0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 1b20 s LEU 63 Cb 0.19 -1.96 -0.11 0.00 0.03 0.00 0.00 46.19 44.34 1b20 s LEU 63 CO 0.56 0.17 1.45 -2.84 0.23 0.00 0.00 176.35 175.92 1b20 s PRO 64 N -2.27 4.20 -0.11 1.29 0.02 -1.26 -5.01 135.00 131.86 1b20 s PRO 64 Ca 0.23 2.43 -0.06 0.00 0.02 0.00 0.00 61.00 63.63 1b20 s PRO 64 Cb -0.11 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.34 1b20 s PRO 64 CO 0.15 -0.44 0.11 0.20 -0.33 0.00 0.00 177.00 176.69 1b20 s GLY 65 N -0.05 2.09 -0.12 0.52 0.00 -1.26 -5.07 107.32 103.43 1b20 s GLY 65 Ca 0.54 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 44.57 1b20 s GLY 65 CO 0.55 -0.42 0.02 1.25 0.00 0.00 0.00 173.10 174.50 1b20 s LYS 66 N -1.00 0.53 -0.30 2.90 2.20 -1.26 -5.09 119.74 117.72 1b20 s LYS 66 Ca 0.15 -0.06 -0.28 0.00 -0.36 0.00 0.00 55.97 55.42 1b20 s LYS 66 Cb -0.12 -1.39 -0.05 0.00 -1.51 0.00 0.00 37.83 34.77 1b20 s LYS 66 CO 0.04 -0.45 2.18 -1.54 -0.36 0.00 0.00 175.35 175.22 1b20 s SER 67 N 1.96 5.31 0.00 1.43 1.04 -1.26 0.30 113.70 122.48 1b20 s SER 67 Ca 0.03 1.59 0.00 0.00 0.48 0.00 0.00 55.95 58.05 1b20 s SER 67 Cb -0.14 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1b20 s SER 67 CO -0.06 -2.12 0.00 0.61 0.98 0.00 0.00 173.24 172.64 1b20 n GLY 68 N 5.76 0.80 3.51 7.32 0.00 -1.26 -5.09 105.19 116.24 1b20 n GLY 68 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 1b20 n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b20 s SER 69 N -2.09 4.11 0.02 1.61 0.15 0.86 -5.02 113.70 113.34 1b20 s SER 69 Ca 0.00 -0.36 0.09 0.00 0.70 0.00 0.00 55.95 56.37 1b20 s SER 69 Cb 0.00 -0.76 -0.02 0.00 -1.71 0.00 0.00 66.02 63.53 1b20 s SER 69 CO 0.00 0.24 -0.26 0.42 1.20 0.00 0.00 173.24 174.84 1b20 s THR 70 N -1.01 2.05 0.06 6.45 -4.23 -1.26 -4.70 115.64 113.00 1b20 s THR 70 Ca 0.17 -1.25 -0.09 0.00 -1.18 0.00 0.00 61.69 59.33 1b20 s THR 70 Cb -0.11 -1.74 -0.06 0.00 1.34 0.00 0.00 72.50 71.94 1b20 s THR 70 CO 0.08 0.44 0.37 0.26 -0.54 0.00 0.00 174.62 175.23 1b20 s TRP 71 N -0.72 3.58 0.22 3.99 0.52 -1.26 -2.36 118.94 122.92 1b20 s TRP 71 Ca 0.11 0.74 0.04 0.00 0.02 0.00 0.00 56.10 57.01 1b20 s TRP 71 Cb -0.10 -2.12 -0.05 0.00 -1.15 0.00 0.00 33.47 30.05 1b20 s TRP 71 CO 0.01 0.54 -0.01 1.03 0.02 0.00 0.00 176.95 178.54 1b20 s ARG 72 N -1.86 1.32 0.19 4.98 0.52 -0.26 -0.60 118.95 123.24 1b20 s ARG 72 Ca 0.32 -1.66 0.04 0.00 -0.52 0.00 0.00 55.73 53.91 1b20 s ARG 72 Cb -0.14 -0.61 -0.05 0.00 0.52 0.00 0.00 34.95 34.67 1b20 s ARG 72 CO 0.18 -0.09 -0.06 -1.83 0.02 0.00 0.00 175.30 173.52 1b20 s GLU 73 N -3.86 1.21 -0.08 3.54 -1.05 -0.44 -1.31 118.70 116.72 1b20 s GLU 73 Ca 0.28 -1.56 -0.11 0.00 -0.15 0.00 0.00 54.97 53.42 1b20 s GLU 73 Cb 0.05 -0.67 0.03 0.00 -0.44 0.00 0.00 34.13 33.10 1b20 s GLU 73 CO 0.08 0.01 0.29 0.00 0.95 0.00 0.00 175.26 176.59 1b20 s ALA 74 N -3.33 -0.72 0.24 -0.84 0.00 -0.27 -0.19 121.76 116.65 1b20 s ALA 74 Ca 0.22 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 1b20 s ALA 74 Cb 0.04 -0.31 -0.09 0.00 0.00 0.00 0.00 23.12 22.75 1b20 s ALA 74 CO 0.05 -0.17 0.97 -0.51 0.00 0.00 0.00 175.76 176.09 1b20 s ASP 75 N -0.30 7.58 0.12 0.00 1.11 0.70 -0.48 116.67 125.41 1b20 s ASP 75 Ca -0.04 2.00 0.10 0.00 0.18 0.00 0.00 52.55 54.78 1b20 s ASP 75 Cb -0.03 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 1b20 s ASP 75 CO 0.01 0.11 -0.20 -0.63 1.18 0.00 0.00 175.17 175.64 1b20 s ILE 76 N -1.14 2.70 -1.50 0.77 -1.09 -0.78 -4.70 121.20 115.45 1b20 s ILE 76 Ca 0.42 -1.59 0.00 0.00 -2.23 0.00 0.00 60.65 57.25 1b20 s ILE 76 Cb -0.27 -2.23 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 1b20 s ILE 76 CO 0.33 0.09 0.00 0.59 -1.23 0.00 0.00 174.94 174.72 1b20 n ASN 77 N 0.79 -4.79 -4.78 3.58 3.02 -0.17 -4.56 115.26 108.36 1b20 n ASN 77 Ca -0.16 0.19 -0.36 0.00 -0.03 0.00 0.00 54.58 54.22 1b20 n ASN 77 Cb 0.53 -3.78 -0.07 0.00 -0.61 0.00 0.00 39.78 35.84 1b20 n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b20 s TYR 78 N -2.68 3.46 0.00 3.10 5.04 -1.26 -4.93 117.35 120.08 1b20 s TYR 78 Ca 0.00 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 55.01 1b20 s TYR 78 Cb 0.00 -2.06 0.00 0.00 0.35 0.00 0.00 41.96 40.25 1b20 s TYR 78 CO 0.00 0.45 0.00 0.25 -1.34 0.00 0.00 175.55 174.91 1b20 n THR 79 N 2.91 0.00 -3.59 4.34 -2.24 -1.26 -4.89 114.28 109.55 1b20 n THR 79 Ca -0.18 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 1b20 n THR 79 Cb 0.53 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 1b20 n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1b20 s SER 80 N -3.32 -0.41 0.00 3.42 1.04 -1.26 -4.70 113.70 108.47 1b20 s SER 80 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1b20 s SER 80 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1b20 s SER 80 CO 0.00 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1b20 n GLY 81 N -0.39 -1.80 3.71 7.32 0.00 -1.25 -4.93 105.19 107.85 1b20 n GLY 81 Ca -0.11 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 1b20 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b20 s PHE 82 N 0.00 2.05 0.45 1.61 0.40 -1.25 -4.46 117.98 116.79 1b20 s PHE 82 Ca 0.00 1.63 -0.25 0.00 -0.60 0.00 0.00 56.93 57.71 1b20 s PHE 82 Cb 0.00 -3.20 -0.08 0.00 0.51 0.00 0.00 43.02 40.26 1b20 s PHE 82 CO 0.00 -2.41 1.35 1.03 0.70 0.00 0.00 175.22 175.89 1b20 s ARG 83 N -4.77 3.69 0.00 0.44 0.52 -1.26 -5.00 118.95 112.57 1b20 s ARG 83 Ca 0.64 2.24 0.00 0.00 -0.52 0.00 0.00 55.73 58.10 1b20 s ARG 83 Cb -0.20 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.67 1b20 s ARG 83 CO 0.57 -0.75 0.00 0.27 0.02 0.00 0.00 175.30 175.41 1b20 n ASN 84 N -0.25 0.00 -0.98 0.23 0.23 -1.26 -5.00 115.26 108.22 1b20 n ASN 84 Ca 0.06 -0.77 0.11 0.00 -0.53 0.00 0.00 54.58 53.45 1b20 n ASN 84 Cb 0.43 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.40 1b20 n ASN 84 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1b20 n SER 85 N -2.30 2.91 -4.77 0.53 7.64 -1.26 -4.92 113.62 111.45 1b20 n SER 85 Ca 0.00 -1.92 -0.36 0.00 1.01 0.00 0.00 58.87 57.60 1b20 n SER 85 Cb 0.00 -0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 62.88 1b20 n SER 85 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1b20 s ASP 86 N -1.39 6.28 0.02 6.43 1.01 -1.26 -1.99 116.67 125.76 1b20 s ASP 86 Ca 0.37 0.32 -0.04 0.00 0.71 0.00 0.00 52.55 53.90 1b20 s ASP 86 Cb 0.21 -2.09 -0.01 0.00 1.01 0.00 0.00 42.92 42.03 1b20 s ASP 86 CO 0.29 0.23 0.07 -0.13 0.21 0.00 0.00 175.17 175.84 1b20 s ARG 87 N 0.02 0.46 -0.17 8.23 1.81 -0.47 -1.87 118.95 126.96 1b20 s ARG 87 Ca 0.11 -0.59 -0.06 0.00 -1.72 0.00 0.00 55.73 53.47 1b20 s ARG 87 Cb -0.11 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.53 1b20 s ARG 87 CO 0.00 -0.10 0.03 -1.50 -0.68 0.00 0.00 175.30 173.04 1b20 s ILE 88 N -1.82 4.48 -0.18 1.52 2.07 0.37 -1.57 121.20 126.07 1b20 s ILE 88 Ca -0.12 -0.15 -0.03 0.00 -1.41 0.00 0.00 60.65 58.94 1b20 s ILE 88 Cb -0.06 -3.00 -0.02 0.00 0.13 0.00 0.00 42.46 39.52 1b20 s ILE 88 CO -0.01 0.48 -0.05 -0.76 -1.91 0.00 0.00 174.94 172.69 1b20 s LEU 89 N 0.28 3.00 -0.04 8.50 2.01 0.45 -1.12 118.68 131.76 1b20 s LEU 89 Ca 0.01 -0.29 0.01 0.00 0.01 0.00 0.00 54.13 53.88 1b20 s LEU 89 Cb -0.13 -1.74 0.02 0.00 0.01 0.00 0.00 46.19 44.35 1b20 s LEU 89 CO 0.01 0.07 -0.04 -0.72 1.01 0.00 0.00 176.35 176.69 1b20 s TYR 90 N 0.93 0.66 0.82 0.29 1.13 -0.43 -0.78 117.35 119.97 1b20 s TYR 90 Ca -0.01 -0.16 -0.07 0.00 -1.41 0.00 0.00 57.07 55.42 1b20 s TYR 90 Cb -0.15 -0.61 0.16 0.00 -1.10 0.00 0.00 41.96 40.26 1b20 s TYR 90 CO 0.01 -0.18 1.13 -1.54 -2.51 0.00 0.00 175.55 172.46 1b20 s SER 91 N 0.92 3.86 0.58 -0.18 1.04 -0.73 -1.10 113.70 118.09 1b20 s SER 91 Ca -0.11 -0.10 0.33 0.00 0.48 0.00 0.00 55.95 56.55 1b20 s SER 91 Cb -0.14 -0.14 1.76 0.00 0.10 0.00 0.00 66.02 67.59 1b20 s SER 91 CO -0.00 -2.21 2.17 0.28 0.98 0.00 0.00 173.24 174.46 1b20 h SER 92 N -0.97 0.00 -0.49 7.02 0.02 -1.83 -1.67 113.55 115.62 1b20 h SER 92 Ca -0.40 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1b20 h SER 92 Cb 1.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 1b20 h SER 92 CO 0.40 0.05 0.00 0.47 -1.14 0.00 0.00 176.83 176.61 1b20 n ASP 93 N -3.43 5.25 -3.12 3.07 8.00 -1.26 -4.97 116.55 120.09 1b20 n ASP 93 Ca -0.02 -2.96 -0.23 0.00 0.71 0.00 0.00 54.79 52.29 1b20 n ASP 93 Cb 0.18 -0.65 0.03 0.00 -0.02 0.00 0.00 41.12 40.66 1b20 n ASP 93 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1b20 n TRP 94 N 0.31 -1.99 -2.64 1.24 7.02 -0.63 -5.01 117.44 115.74 1b20 n TRP 94 Ca 0.26 0.54 -0.42 0.00 -1.02 0.00 0.00 57.50 56.86 1b20 n TRP 94 Cb 1.12 -4.24 -0.03 0.00 -2.42 0.00 0.00 31.31 25.75 1b20 n TRP 94 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1b20 s LEU 95 N -6.69 4.33 -0.09 -0.99 2.96 -1.26 -4.82 118.68 112.12 1b20 s LEU 95 Ca 0.34 1.69 0.04 0.00 -0.22 0.00 0.00 54.13 55.98 1b20 s LEU 95 Cb -0.16 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.97 1b20 s LEU 95 CO 0.42 -0.37 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.24 1b20 s ILE 96 N 1.40 1.82 0.20 6.68 -1.09 -0.96 -1.77 121.20 127.48 1b20 s ILE 96 Ca 0.52 -0.89 0.09 0.00 -2.23 0.00 0.00 60.65 58.15 1b20 s ILE 96 Cb -0.22 -1.58 -0.05 0.00 -1.58 0.00 0.00 42.46 39.03 1b20 s ILE 96 CO 0.25 0.51 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.97 1b20 s TYR 97 N 0.36 1.96 0.19 3.97 1.51 0.04 -0.72 117.35 124.66 1b20 s TYR 97 Ca -0.16 -0.45 0.09 0.00 -1.01 0.00 0.00 57.07 55.54 1b20 s TYR 97 Cb -0.17 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 1b20 s TYR 97 CO 0.07 0.45 -0.19 -1.59 -1.11 0.00 0.00 175.55 173.18 1b20 s LYS 98 N -3.16 1.37 -0.01 -0.62 -2.85 0.11 -0.41 119.74 114.17 1b20 s LYS 98 Ca 0.21 -1.50 0.02 0.00 -1.00 0.00 0.00 55.97 53.70 1b20 s LYS 98 Cb -0.05 -1.42 0.00 0.00 -2.06 0.00 0.00 37.83 34.31 1b20 s LYS 98 CO 0.09 0.28 -0.06 -0.08 0.10 0.00 0.00 175.35 175.68 1b20 s THR 99 N -2.21 0.48 -0.06 3.79 -1.32 -0.61 -0.95 115.64 114.77 1b20 s THR 99 Ca 0.19 -0.22 0.08 0.00 -1.21 0.00 0.00 61.69 60.53 1b20 s THR 99 Cb -0.05 -0.43 0.12 0.00 -1.51 0.00 0.00 72.50 70.63 1b20 s THR 99 CO 0.08 0.15 1.03 0.35 -2.21 0.00 0.00 174.62 174.03 1b20 n THR 100 N 3.18 1.26 -2.66 5.08 -2.24 -1.26 -1.37 114.28 116.27 1b20 n THR 100 Ca -0.16 -1.42 -0.06 0.00 -2.27 0.00 0.00 64.05 60.14 1b20 n THR 100 Cb 0.56 0.21 0.04 0.00 -2.10 0.00 0.00 70.33 69.05 1b20 n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b20 n ASP 101 N -0.84 2.29 -3.50 3.42 5.68 -1.18 -4.61 116.55 117.81 1b20 n ASP 101 Ca 0.07 -2.43 -0.23 0.00 -0.50 0.00 0.00 54.79 51.70 1b20 n ASP 101 Cb 0.46 -0.45 0.05 0.00 -1.14 0.00 0.00 41.12 40.04 1b20 n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1b20 n HIS 102 N -0.59 -2.15 -1.13 2.11 8.25 -0.84 -2.97 115.22 117.90 1b20 n HIS 102 Ca 0.15 0.69 -0.04 0.00 -0.26 0.00 0.00 57.72 58.26 1b20 n HIS 102 Cb 0.83 -3.93 -0.02 0.00 1.12 0.00 0.00 29.99 28.00 1b20 n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1b20 n TYR 103 N -3.81 0.00 0.05 4.41 4.01 -1.26 -4.86 117.16 115.69 1b20 n TYR 103 Ca -0.12 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.41 1b20 n TYR 103 Cb 0.62 -1.76 -0.12 0.00 -0.31 0.00 0.00 39.34 37.77 1b20 n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1b20 h GLN 104 N 0.21 0.58 -4.84 -0.72 4.20 -1.95 -3.45 115.11 109.13 1b20 h GLN 104 Ca -0.09 -0.69 -0.32 0.00 0.06 0.00 0.00 58.65 57.61 1b20 h GLN 104 Cb 0.78 0.21 -0.21 0.00 0.30 0.00 0.00 27.48 28.56 1b20 h GLN 104 CO 0.13 1.29 -0.75 0.95 -0.67 0.00 0.00 178.83 179.78 1b20 s THR 105 N -3.12 0.76 0.03 -0.54 -4.23 -1.26 -5.12 115.64 102.16 1b20 s THR 105 Ca -0.11 -1.24 0.05 0.00 -1.18 0.00 0.00 61.69 59.22 1b20 s THR 105 Cb 0.05 -0.86 -0.02 0.00 1.34 0.00 0.00 72.50 73.01 1b20 s THR 105 CO 0.89 -0.37 -0.15 -0.36 -0.54 0.00 0.00 174.62 174.09 1b20 s PHE 106 N -1.54 1.34 -0.07 3.99 0.08 -1.26 -4.46 117.98 116.05 1b20 s PHE 106 Ca -0.05 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.69 1b20 s PHE 106 Cb -0.09 -0.81 0.01 0.00 -0.57 0.00 0.00 43.02 41.57 1b20 s PHE 106 CO 0.01 0.03 -0.14 0.99 -0.10 0.00 0.00 175.22 176.01 1b20 s THR 107 N -0.72 1.32 0.12 0.64 2.01 -0.12 -4.96 115.64 113.92 1b20 s THR 107 Ca 0.03 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 1b20 s THR 107 Cb -0.07 -1.19 -0.06 0.00 0.01 0.00 0.00 72.50 71.18 1b20 s THR 107 CO 0.01 0.40 1.10 -0.75 -0.69 0.00 0.00 174.62 174.69 1b20 s LYS 108 N 0.64 4.55 -0.00 4.92 2.20 -1.26 0.09 119.74 130.87 1b20 s LYS 108 Ca -0.15 1.67 0.02 0.00 -0.36 0.00 0.00 55.97 57.16 1b20 s LYS 108 Cb -0.16 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 1b20 s LYS 108 CO 0.04 -0.03 0.05 0.44 -0.36 0.00 0.00 175.35 175.49 1b20 n ILE 109 N 3.05 0.01 -0.87 5.43 -5.35 0.11 -4.90 119.36 116.84 1b20 n ILE 109 Ca 0.05 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1b20 n ILE 109 Cb 0.47 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.76 1b20 n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33