#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b21 s VAL 3 N 0.00 5.26 -0.78 5.09 1.01 -1.26 -5.04 120.40 124.69 1b21 s VAL 3 Ca 0.00 0.57 -0.23 0.00 0.00 0.00 0.00 61.98 62.32 1b21 s VAL 3 Cb 0.00 -3.66 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1b21 s VAL 3 CO 0.00 0.31 1.13 -0.63 0.00 0.00 0.00 175.10 175.91 1b21 s ILE 4 N 1.04 4.20 0.00 2.22 1.01 -1.26 -4.68 121.20 123.73 1b21 s ILE 4 Ca 0.16 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1b21 s ILE 4 Cb -0.14 -4.81 0.00 0.00 0.01 0.00 0.00 42.46 37.52 1b21 s ILE 4 CO 0.06 -1.63 0.44 -0.46 0.00 0.00 0.00 174.94 173.35 1b21 n ASN 5 N 8.05 0.00 -4.94 3.58 6.94 -1.26 -4.79 115.26 122.83 1b21 n ASN 5 Ca 0.08 -1.07 -0.24 0.00 -0.02 0.00 0.00 54.58 53.33 1b21 n ASN 5 Cb 0.48 -0.01 0.04 0.00 -2.36 0.00 0.00 39.78 37.92 1b21 n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1b21 s THR 6 N 0.00 3.08 0.08 5.53 -4.23 -1.26 -0.35 115.64 118.49 1b21 s THR 6 Ca 0.00 -0.36 -0.25 0.00 -1.18 0.00 0.00 61.69 59.90 1b21 s THR 6 Cb 0.00 -3.21 -0.16 0.00 1.34 0.00 0.00 72.50 70.47 1b21 s THR 6 CO 0.00 -0.19 1.69 -0.26 -0.54 0.00 0.00 174.62 175.32 1b21 h PHE 7 N -0.10 -0.19 -0.35 3.99 0.04 -1.98 0.21 116.94 118.56 1b21 h PHE 7 Ca -0.44 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.25 1b21 h PHE 7 Cb 1.28 0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.48 1b21 h PHE 7 CO 0.40 -0.10 -0.05 -0.44 -0.60 0.00 0.00 178.31 177.53 1b21 h ASP 8 N -0.23 0.65 -0.25 2.17 3.32 -1.98 0.20 116.42 120.30 1b21 h ASP 8 Ca -0.02 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1b21 h ASP 8 Cb 0.18 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1b21 h ASP 8 CO 0.03 0.84 0.16 1.23 -1.72 0.00 0.00 179.24 179.79 1b21 h GLY 9 N 0.45 0.35 1.46 2.75 0.00 -1.94 -0.74 103.07 105.41 1b21 h GLY 9 Ca 0.09 -0.13 -0.21 0.00 0.00 0.00 0.00 47.33 47.09 1b21 h GLY 9 CO 0.03 0.12 -0.81 -2.08 0.00 0.00 0.00 176.54 173.80 1b21 h VAL 10 N 0.33 1.36 -0.05 4.60 2.07 -0.92 -2.45 116.25 121.19 1b21 h VAL 10 Ca 0.09 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.43 1b21 h VAL 10 Cb -0.03 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1b21 h VAL 10 CO -0.03 0.66 0.03 0.00 0.02 0.00 0.00 177.57 178.26 1b21 h ALA 11 N 0.77 0.06 -0.79 1.67 0.00 -0.42 -1.33 119.26 119.22 1b21 h ALA 11 Ca -0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1b21 h ALA 11 Cb 1.42 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1b21 h ALA 11 CO 0.15 -0.44 0.52 -0.44 0.00 0.00 0.00 179.25 179.04 1b21 h ASP 12 N 0.05 0.89 -0.16 0.00 3.32 -1.20 -2.50 116.42 116.82 1b21 h ASP 12 Ca 0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1b21 h ASP 12 Cb 0.00 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1b21 h ASP 12 CO -0.00 0.64 0.08 0.22 -1.72 0.00 0.00 179.24 178.45 1b21 h TYR 13 N 1.05 0.24 -0.17 4.55 5.03 -1.13 -1.93 116.97 124.61 1b21 h TYR 13 Ca 0.30 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.62 1b21 h TYR 13 Cb -0.09 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.09 1b21 h TYR 13 CO -0.02 0.27 0.00 -0.07 -1.32 0.00 0.00 178.16 177.02 1b21 h LEU 14 N 0.13 -0.06 -1.47 2.82 3.38 -1.15 0.58 115.31 119.54 1b21 h LEU 14 Ca 0.06 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1b21 h LEU 14 Cb 0.12 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1b21 h LEU 14 CO -0.01 -0.00 -0.23 1.56 0.09 0.00 0.00 178.44 179.85 1b21 h GLN 15 N 0.06 0.00 0.02 1.13 4.20 -1.40 -0.07 115.11 119.05 1b21 h GLN 15 Ca 0.08 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.42 1b21 h GLN 15 Cb 0.10 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 1b21 h GLN 15 CO -0.13 0.23 -2.07 0.25 -0.67 0.00 0.00 178.83 176.43 1b21 n THR 16 N -3.65 1.56 1.04 -0.54 -2.24 -0.73 -4.60 114.28 105.13 1b21 n THR 16 Ca -0.01 -0.34 0.11 0.00 -2.27 0.00 0.00 64.05 61.54 1b21 n THR 16 Cb 0.35 -1.84 0.13 0.00 -2.10 0.00 0.00 70.33 66.87 1b21 n THR 16 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1b21 n TYR 17 N -4.05 0.00 -3.68 4.78 4.01 0.20 -4.98 117.16 113.44 1b21 n TYR 17 Ca -0.44 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.06 1b21 n TYR 17 Cb 0.86 -0.13 0.06 0.00 -0.31 0.00 0.00 39.34 39.83 1b21 n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1b21 n HIS 18 N -1.20 -2.53 -3.60 -0.72 8.25 -0.04 -4.95 115.22 110.42 1b21 n HIS 18 Ca 0.07 0.96 0.00 0.00 -0.26 0.00 0.00 57.72 58.49 1b21 n HIS 18 Cb 0.35 -4.68 -0.01 0.00 1.12 0.00 0.00 29.99 26.76 1b21 n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1b21 s LYS 19 N -6.24 0.11 0.44 -0.41 -2.85 -1.25 -5.07 119.74 104.47 1b21 s LYS 19 Ca 0.47 -0.05 -0.19 0.00 -1.00 0.00 0.00 55.97 55.20 1b21 s LYS 19 Cb -0.22 0.04 -0.10 0.00 -2.06 0.00 0.00 37.83 35.49 1b21 s LYS 19 CO 0.77 -0.05 0.94 -0.51 0.10 0.00 0.00 175.35 176.59 1b21 s LEU 20 N -2.52 3.88 1.19 2.77 1.43 -1.26 -4.04 118.68 120.13 1b21 s LEU 20 Ca 0.13 1.62 -0.14 0.00 -1.03 0.00 0.00 54.13 54.71 1b21 s LEU 20 Cb 0.03 -4.49 0.27 0.00 0.03 0.00 0.00 46.19 42.03 1b21 s LEU 20 CO -0.04 -0.40 0.84 -0.81 0.23 0.00 0.00 176.35 176.17 1b21 n PRO 21 N -0.84 -2.47 0.02 1.29 -0.04 -1.26 -4.88 135.00 126.83 1b21 n PRO 21 Ca 0.07 -0.69 0.06 0.00 -0.04 0.00 0.00 63.50 62.89 1b21 n PRO 21 Cb 0.54 -2.08 0.27 0.00 -0.04 0.00 0.00 33.50 32.19 1b21 n PRO 21 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1b21 n ASP 22 N -4.48 0.10 -0.52 3.54 5.75 -1.26 -2.78 116.55 116.90 1b21 n ASP 22 Ca 0.02 0.53 0.09 0.00 -0.01 0.00 0.00 54.79 55.42 1b21 n ASP 22 Cb 0.55 -0.55 0.31 0.00 -1.03 0.00 0.00 41.12 40.41 1b21 n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1b21 n ASN 23 N -1.62 1.54 -4.85 -1.12 6.94 -1.26 -4.89 115.26 110.01 1b21 n ASN 23 Ca 0.02 -1.78 -0.35 0.00 -0.02 0.00 0.00 54.58 52.45 1b21 n ASN 23 Cb 0.13 -0.13 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 1b21 n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1b21 s TYR 24 N -1.74 3.48 0.02 -2.53 2.02 -1.12 -1.41 117.35 116.07 1b21 s TYR 24 Ca 0.28 0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 57.36 1b21 s TYR 24 Cb 0.15 -1.86 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 1b21 s TYR 24 CO 0.22 0.65 0.01 0.96 -1.57 0.00 0.00 175.55 175.82 1b21 s ILE 25 N -1.11 0.10 0.96 2.71 -4.36 -0.79 -4.88 121.20 113.84 1b21 s ILE 25 Ca 0.19 -0.86 -0.12 0.00 -0.26 0.00 0.00 60.65 59.60 1b21 s ILE 25 Cb -0.12 -0.30 0.16 0.00 1.25 0.00 0.00 42.46 43.46 1b21 s ILE 25 CO 0.09 -0.47 1.09 0.42 0.24 0.00 0.00 174.94 176.31 1b21 s THR 26 N -1.45 2.30 0.20 8.37 -4.23 -1.22 -0.37 115.64 119.25 1b21 s THR 26 Ca -0.16 0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 60.36 1b21 s THR 26 Cb -0.09 -2.59 0.15 0.00 1.34 0.00 0.00 72.50 71.30 1b21 s THR 26 CO -0.00 -0.13 1.80 0.11 -0.54 0.00 0.00 174.62 175.86 1b21 h LYS 27 N -1.75 1.09 -0.08 3.99 1.57 -1.96 -1.67 116.57 117.76 1b21 h LYS 27 Ca -0.52 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.02 1b21 h LYS 27 Cb 1.31 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 1b21 h LYS 27 CO 0.56 0.84 -0.29 1.03 -0.57 0.00 0.00 179.45 181.03 1b21 h SER 28 N 1.06 0.14 -0.25 0.86 0.87 -1.99 0.94 113.55 115.19 1b21 h SER 28 Ca 0.26 -0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.66 1b21 h SER 28 Cb 0.11 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1b21 h SER 28 CO -0.03 0.44 -0.31 -0.33 -0.53 0.00 0.00 176.83 176.06 1b21 h GLU 29 N 0.13 0.64 -0.01 2.24 5.08 -1.86 -2.43 114.58 118.37 1b21 h GLU 29 Ca 0.02 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1b21 h GLU 29 Cb 0.59 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1b21 h GLU 29 CO 0.04 0.97 -0.07 0.00 -1.00 0.00 0.00 179.01 178.95 1b21 h ALA 30 N 0.66 -0.07 -0.35 3.43 0.00 -0.94 -1.73 119.26 120.26 1b21 h ALA 30 Ca 0.03 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1b21 h ALA 30 Cb 0.89 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1b21 h ALA 30 CO 0.07 -0.56 0.18 1.96 0.00 0.00 0.00 179.25 180.90 1b21 h GLN 31 N -0.12 0.36 0.00 0.00 4.20 -0.83 -0.99 115.11 117.73 1b21 h GLN 31 Ca 0.03 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1b21 h GLN 31 Cb 0.17 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1b21 h GLN 31 CO -0.08 0.24 -0.08 0.00 -0.67 0.00 0.00 178.83 178.24 1b21 h ALA 32 N 1.17 1.73 0.00 3.87 0.00 -1.26 -0.16 119.26 124.62 1b21 h ALA 32 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1b21 h ALA 32 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1b21 h ALA 32 CO -0.09 0.10 0.00 -0.07 0.00 0.00 0.00 179.25 179.19 1b21 h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -0.61 -3.47 115.31 114.62 1b21 h LEU 33 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b21 h LEU 33 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1b21 h LEU 33 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1b21 n GLY 34 N 0.76 0.91 3.69 0.83 0.00 -0.07 -4.92 105.19 106.40 1b21 n GLY 34 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1b21 n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b21 s TRP 35 N -1.67 2.60 -0.30 1.61 -0.00 -0.44 -4.95 118.94 115.80 1b21 s TRP 35 Ca 0.00 0.51 0.03 0.00 -0.00 0.00 0.00 56.10 56.64 1b21 s TRP 35 Cb 0.00 -3.85 0.08 0.00 -0.00 0.00 0.00 33.47 29.70 1b21 s TRP 35 CO 0.00 -3.33 -0.01 0.08 -0.00 0.00 0.00 176.95 173.70 1b21 s VAL 36 N 2.50 2.04 0.22 5.86 1.01 -1.26 -4.41 120.40 126.37 1b21 s VAL 36 Ca 0.70 -1.92 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 1b21 s VAL 36 Cb -0.37 -2.37 0.23 0.00 0.00 0.00 0.00 36.38 33.87 1b21 s VAL 36 CO 0.30 -0.37 1.65 0.00 0.00 0.00 0.00 175.10 176.68 1b21 h ALA 37 N 7.74 0.66 0.00 5.51 0.00 -1.99 -1.36 119.26 129.82 1b21 h ALA 37 Ca -0.11 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1b21 h ALA 37 Cb 1.03 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1b21 h ALA 37 CO 0.48 -0.40 0.00 -1.13 0.00 0.00 0.00 179.25 178.20 1b21 n SER 38 N -5.30 0.07 -0.26 0.00 3.41 -1.26 -1.35 113.62 108.93 1b21 n SER 38 Ca 0.10 0.52 0.09 0.00 -0.26 0.00 0.00 58.87 59.32 1b21 n SER 38 Cb 0.39 -0.54 -0.04 0.00 -0.26 0.00 0.00 64.21 63.77 1b21 n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1b21 n LYS 39 N -1.58 1.50 -4.07 4.33 5.02 -0.54 -5.00 118.16 117.82 1b21 n LYS 39 Ca 0.02 -0.56 -0.28 0.00 -2.02 0.00 0.00 58.31 55.47 1b21 n LYS 39 Cb 0.10 -1.32 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 1b21 n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b21 n GLY 40 N 1.29 -0.22 1.44 0.72 0.00 -0.46 -4.88 105.19 103.09 1b21 n GLY 40 Ca 0.06 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1b21 n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b21 n ASN 41 N -2.93 4.22 -0.17 1.61 0.23 -1.25 -3.99 115.26 112.97 1b21 n ASN 41 Ca -0.28 -2.14 -0.02 0.00 -0.53 0.00 0.00 54.58 51.61 1b21 n ASN 41 Cb 0.67 -0.52 0.05 0.00 -2.08 0.00 0.00 39.78 37.90 1b21 n ASN 41 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1b21 h LEU 42 N 4.27 -0.37 -1.93 -4.53 5.85 -1.88 0.62 115.31 117.35 1b21 h LEU 42 Ca 0.00 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1b21 h LEU 42 Cb 1.14 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 1b21 h LEU 42 CO 0.07 -0.13 -0.08 0.00 -0.34 0.00 0.00 178.44 177.95 1b21 h ALA 43 N 1.50 1.71 -0.17 1.25 0.00 -1.84 0.85 119.26 122.57 1b21 h ALA 43 Ca 0.26 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1b21 h ALA 43 Cb 0.40 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1b21 h ALA 43 CO -0.50 0.11 -0.61 -0.44 0.00 0.00 0.00 179.25 177.80 1b21 h ASP 44 N 0.00 0.84 0.61 0.00 3.32 -1.25 -3.20 116.42 116.75 1b21 h ASP 44 Ca -0.00 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.45 1b21 h ASP 44 Cb 0.16 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1b21 h ASP 44 CO 0.01 1.30 -0.85 1.33 -1.72 0.00 0.00 179.24 179.31 1b21 n VAL 45 N -4.07 0.24 -3.04 -1.35 0.24 -0.76 -4.58 118.33 105.01 1b21 n VAL 45 Ca -0.07 -0.25 -0.16 0.00 -2.04 0.00 0.00 64.34 61.83 1b21 n VAL 45 Cb 0.66 0.08 -0.03 0.00 -1.47 0.00 0.00 33.84 33.07 1b21 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b21 n ALA 46 N -1.82 0.51 -1.69 2.33 0.00 0.26 -4.88 120.51 115.22 1b21 n ALA 46 Ca 0.03 -2.20 -0.44 0.00 0.00 0.00 0.00 53.44 50.83 1b21 n ALA 46 Cb 0.43 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 1b21 n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1b21 n PRO 47 N 2.39 2.29 -0.30 0.00 -0.02 -1.21 -2.07 135.00 136.08 1b21 n PRO 47 Ca 0.21 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 1b21 n PRO 47 Cb 0.54 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1b21 n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b21 n GLY 48 N 2.46 2.08 3.90 -1.23 0.00 -1.26 -5.00 105.19 106.15 1b21 n GLY 48 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1b21 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b21 s LYS 49 N -0.04 3.59 0.17 1.61 -0.14 -0.88 -4.83 119.74 119.22 1b21 s LYS 49 Ca 0.00 -0.14 0.09 0.00 -1.36 0.00 0.00 55.97 54.56 1b21 s LYS 49 Cb 0.00 -2.87 -0.04 0.00 -1.68 0.00 0.00 37.83 33.24 1b21 s LYS 49 CO 0.00 0.48 -0.20 -1.12 -0.76 0.00 0.00 175.35 173.75 1b21 s SER 50 N -2.47 2.85 0.11 2.83 0.01 -0.50 -4.81 113.70 111.73 1b21 s SER 50 Ca 0.40 -0.84 -0.30 0.00 1.31 0.00 0.00 55.95 56.51 1b21 s SER 50 Cb -0.12 -0.18 -0.06 0.00 0.21 0.00 0.00 66.02 65.86 1b21 s SER 50 CO 0.25 0.01 1.19 -0.63 0.41 0.00 0.00 173.24 174.47 1b21 s ILE 51 N -1.86 3.89 -0.22 1.44 -1.09 -1.26 -1.88 121.20 120.23 1b21 s ILE 51 Ca 0.16 1.44 -0.30 0.00 -2.23 0.00 0.00 60.65 59.73 1b21 s ILE 51 Cb -0.07 -3.92 0.16 0.00 -1.58 0.00 0.00 42.46 37.05 1b21 s ILE 51 CO 0.07 0.16 1.16 -0.83 -1.23 0.00 0.00 174.94 174.27 1b21 s GLY 52 N 0.67 -0.11 0.00 6.18 0.00 0.50 -0.03 107.32 114.53 1b21 s GLY 52 Ca 0.56 2.37 0.00 0.00 0.00 0.00 0.00 44.72 47.66 1b21 s GLY 52 CO 0.32 1.05 0.00 0.61 0.00 0.00 0.00 173.10 175.08 1b21 n GLY 53 N 0.62 0.69 3.79 0.20 0.00 0.64 -3.44 105.19 107.68 1b21 n GLY 53 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1b21 n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b21 s ASP 54 N -1.97 6.97 0.24 1.61 1.01 -1.23 -4.76 116.67 118.55 1b21 s ASP 54 Ca 0.00 1.87 -0.30 0.00 0.71 0.00 0.00 52.55 54.83 1b21 s ASP 54 Cb 0.00 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.26 1b21 s ASP 54 CO 0.00 -0.33 1.41 -0.63 0.21 0.00 0.00 175.17 175.82 1b21 s ILE 55 N -1.81 2.78 -0.24 0.77 1.01 -1.26 -0.99 121.20 121.46 1b21 s ILE 55 Ca 0.57 0.66 -0.09 0.00 0.00 0.00 0.00 60.65 61.79 1b21 s ILE 55 Cb -0.17 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1b21 s ILE 55 CO 0.22 0.11 0.11 0.12 0.00 0.00 0.00 174.94 175.50 1b21 s PHE 56 N -0.01 3.19 0.14 3.97 5.36 0.10 -4.83 117.98 125.90 1b21 s PHE 56 Ca 0.58 -0.08 -0.18 0.00 -0.96 0.00 0.00 56.93 56.30 1b21 s PHE 56 Cb -0.41 -2.25 0.02 0.00 -0.34 0.00 0.00 43.02 40.05 1b21 s PHE 56 CO 0.42 -0.14 1.74 1.03 -1.46 0.00 0.00 175.22 176.82 1b21 h SER 57 N 7.84 0.04 -5.87 6.13 0.87 -1.95 -3.38 113.55 117.23 1b21 h SER 57 Ca -0.37 0.04 -0.37 0.00 -1.23 0.00 0.00 61.79 59.86 1b21 h SER 57 Cb 1.18 0.05 0.11 0.00 -0.44 0.00 0.00 62.40 63.30 1b21 h SER 57 CO 0.61 0.06 -0.81 -3.20 -0.53 0.00 0.00 176.83 172.96 1b21 n ASN 58 N -5.07 -1.92 0.11 6.23 5.15 -1.26 -4.90 115.26 113.60 1b21 n ASN 58 Ca -0.00 -0.74 0.07 0.00 -0.60 0.00 0.00 54.58 53.31 1b21 n ASN 58 Cb 0.12 -4.55 0.00 0.00 -0.53 0.00 0.00 39.78 34.82 1b21 n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1b21 h ARG 59 N -1.84 0.00 -0.01 1.20 2.43 -1.98 -3.30 114.38 110.88 1b21 h ARG 59 Ca -0.60 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 1b21 h ARG 59 Cb 1.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1b21 h ARG 59 CO 0.53 0.15 0.00 0.39 -1.51 0.00 0.00 179.97 179.53 1b21 n GLU 60 N -2.88 1.10 -2.66 0.20 1.02 -1.26 -4.91 120.64 111.25 1b21 n GLU 60 Ca -0.02 -0.15 -0.21 0.00 -0.02 0.00 0.00 57.16 56.76 1b21 n GLU 60 Cb 0.66 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.68 1b21 n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b21 n GLY 61 N 0.94 -0.51 0.19 0.62 0.00 -1.24 -4.89 105.19 100.29 1b21 n GLY 61 Ca 0.19 0.05 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 1b21 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b21 h LYS 62 N -0.57 0.60 -5.90 1.61 1.57 -1.91 -3.44 116.57 108.54 1b21 h LYS 62 Ca -0.50 -0.61 -0.65 0.00 -1.87 0.00 0.00 60.65 57.01 1b21 h LYS 62 Cb 1.36 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 33.75 1b21 h LYS 62 CO 0.57 1.22 -0.54 -0.51 -0.57 0.00 0.00 179.45 179.62 1b21 s LEU 63 N -8.02 4.07 -0.59 2.94 1.43 -1.26 -4.95 118.68 112.31 1b21 s LEU 63 Ca -0.08 0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 52.99 1b21 s LEU 63 Cb 0.08 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1b21 s LEU 63 CO 0.90 0.30 1.41 -2.16 0.23 0.00 0.00 176.35 177.02 1b21 s PRO 64 N -1.64 3.26 -0.11 1.29 0.04 -1.26 -5.00 135.00 131.58 1b21 s PRO 64 Ca 0.22 0.36 -0.18 0.00 0.04 0.00 0.00 61.00 61.44 1b21 s PRO 64 Cb -0.12 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.24 1b21 s PRO 64 CO 0.13 -1.99 0.47 0.20 0.04 0.00 0.00 177.00 175.84 1b21 s GLY 65 N 4.44 2.40 0.58 0.56 0.00 -1.26 -5.07 107.32 108.98 1b21 s GLY 65 Ca 0.50 -0.20 -0.16 0.00 0.00 0.00 0.00 44.72 44.86 1b21 s GLY 65 CO 0.23 0.71 1.06 1.25 0.00 0.00 0.00 173.10 176.35 1b21 s LYS 66 N 0.48 3.35 0.12 2.90 2.20 -1.26 -4.96 119.74 122.57 1b21 s LYS 66 Ca 0.25 1.22 -0.17 0.00 -0.36 0.00 0.00 55.97 56.91 1b21 s LYS 66 Cb -0.15 -2.04 0.01 0.00 -1.51 0.00 0.00 37.83 34.14 1b21 s LYS 66 CO 0.10 -0.78 0.99 0.45 -0.36 0.00 0.00 175.35 175.75 1b21 n SER 67 N -1.94 -0.60 -1.36 1.43 2.88 -1.26 -1.44 113.62 111.33 1b21 n SER 67 Ca 0.09 1.14 0.09 0.00 -1.33 0.00 0.00 58.87 58.86 1b21 n SER 67 Cb 0.53 -0.18 0.32 0.00 -0.75 0.00 0.00 64.21 64.12 1b21 n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b21 n GLY 68 N -1.20 2.81 3.81 0.46 0.00 -1.26 -5.03 105.19 104.78 1b21 n GLY 68 Ca 0.03 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 1b21 n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b21 s SER 69 N -1.02 6.53 -0.03 1.61 0.15 -0.52 -5.04 113.70 115.38 1b21 s SER 69 Ca 0.46 1.79 0.07 0.00 0.70 0.00 0.00 55.95 58.97 1b21 s SER 69 Cb 0.29 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 62.04 1b21 s SER 69 CO 0.24 -0.65 -0.25 -0.89 1.20 0.00 0.00 173.24 172.89 1b21 s THR 70 N -2.18 2.09 -0.12 6.45 2.01 -1.26 -4.83 115.64 117.80 1b21 s THR 70 Ca 0.64 -1.09 -0.05 0.00 0.31 0.00 0.00 61.69 61.50 1b21 s THR 70 Cb -0.13 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 1b21 s THR 70 CO 0.21 0.58 0.09 0.26 -0.69 0.00 0.00 174.62 175.06 1b21 s TRP 71 N -0.51 3.41 0.18 4.92 0.52 -1.26 -1.94 118.94 124.26 1b21 s TRP 71 Ca 0.07 0.36 0.09 0.00 0.02 0.00 0.00 56.10 56.64 1b21 s TRP 71 Cb -0.11 -1.91 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 1b21 s TRP 71 CO 0.00 0.57 -0.18 1.03 0.02 0.00 0.00 176.95 178.40 1b21 s ARG 72 N -0.78 1.32 0.20 4.98 0.52 0.20 0.03 118.95 125.43 1b21 s ARG 72 Ca 0.13 -1.48 0.08 0.00 -0.52 0.00 0.00 55.73 53.94 1b21 s ARG 72 Cb -0.12 -1.32 -0.05 0.00 0.52 0.00 0.00 34.95 33.98 1b21 s ARG 72 CO 0.03 0.26 -0.14 -1.83 0.02 0.00 0.00 175.30 173.63 1b21 s GLU 73 N -3.04 1.32 -0.11 3.54 -1.05 -0.16 -0.67 118.70 118.53 1b21 s GLU 73 Ca 0.18 -1.59 -0.12 0.00 -0.15 0.00 0.00 54.97 53.30 1b21 s GLU 73 Cb -0.05 -1.10 0.03 0.00 -0.44 0.00 0.00 34.13 32.58 1b21 s GLU 73 CO 0.07 0.18 0.33 0.00 0.95 0.00 0.00 175.26 176.80 1b21 s ALA 74 N -2.99 -0.83 0.28 -0.84 0.00 -0.36 -0.26 121.76 116.76 1b21 s ALA 74 Ca 0.22 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 1b21 s ALA 74 Cb -0.01 -0.44 -0.10 0.00 0.00 0.00 0.00 23.12 22.58 1b21 s ALA 74 CO 0.07 -0.18 1.23 -0.51 0.00 0.00 0.00 175.76 176.36 1b21 s ASP 75 N -0.10 6.99 0.01 0.00 1.11 0.95 -0.69 116.67 124.94 1b21 s ASP 75 Ca -0.03 2.45 0.06 0.00 0.18 0.00 0.00 52.55 55.22 1b21 s ASP 75 Cb -0.03 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 1b21 s ASP 75 CO 0.01 -0.38 -0.18 -0.63 1.18 0.00 0.00 175.17 175.17 1b21 s ILE 76 N -0.83 2.75 -0.99 0.77 -1.09 -0.19 -4.66 121.20 116.96 1b21 s ILE 76 Ca 0.49 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 1b21 s ILE 76 Cb -0.36 -2.11 0.00 0.00 -1.58 0.00 0.00 42.46 38.41 1b21 s ILE 76 CO 0.45 0.44 0.00 0.59 -1.23 0.00 0.00 174.94 175.19 1b21 n ASN 77 N 1.87 -4.19 -4.73 3.58 3.02 0.52 -4.53 115.26 110.82 1b21 n ASN 77 Ca -0.16 0.23 -0.40 0.00 -0.03 0.00 0.00 54.58 54.22 1b21 n ASN 77 Cb 0.52 -2.51 -0.05 0.00 -0.61 0.00 0.00 39.78 37.13 1b21 n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b21 s TYR 78 N -2.33 3.63 0.00 3.10 5.04 -1.26 -4.90 117.35 120.63 1b21 s TYR 78 Ca 0.00 1.29 0.00 0.00 -2.44 0.00 0.00 57.07 55.92 1b21 s TYR 78 Cb 0.00 -2.78 0.00 0.00 0.35 0.00 0.00 41.96 39.53 1b21 s TYR 78 CO 0.00 0.16 0.00 0.25 -1.34 0.00 0.00 175.55 174.62 1b21 n THR 79 N 3.43 0.00 -3.46 4.34 -2.24 -1.26 -4.87 114.28 110.22 1b21 n THR 79 Ca -0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 1b21 n THR 79 Cb 0.51 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 1b21 n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1b21 s SER 80 N -3.64 -0.54 0.00 3.42 1.04 -1.26 -4.72 113.70 108.00 1b21 s SER 80 Ca 0.00 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1b21 s SER 80 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1b21 s SER 80 CO 0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1b21 n GLY 81 N -0.11 -0.78 3.72 7.32 0.00 -1.26 -4.86 105.19 109.22 1b21 n GLY 81 Ca -0.16 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 1b21 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b21 s PHE 82 N 0.00 2.08 0.62 1.61 0.08 -1.26 -4.42 117.98 116.69 1b21 s PHE 82 Ca 0.00 1.59 -0.17 0.00 0.12 0.00 0.00 56.93 58.46 1b21 s PHE 82 Cb 0.00 -3.49 -0.02 0.00 -0.57 0.00 0.00 43.02 38.95 1b21 s PHE 82 CO 0.00 -2.60 1.17 1.03 -0.10 0.00 0.00 175.22 174.72 1b21 s ARG 83 N -3.84 2.85 0.00 0.44 0.52 -1.26 -5.00 118.95 112.66 1b21 s ARG 83 Ca 0.75 1.67 0.00 0.00 -0.52 0.00 0.00 55.73 57.63 1b21 s ARG 83 Cb -0.30 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.24 1b21 s ARG 83 CO 0.44 -1.27 0.00 0.27 0.02 0.00 0.00 175.30 174.76 1b21 n ASN 84 N -1.94 0.00 -1.06 0.23 0.23 -1.26 -5.02 115.26 106.44 1b21 n ASN 84 Ca 0.12 -0.30 0.08 0.00 -0.53 0.00 0.00 54.58 53.96 1b21 n ASN 84 Cb 0.51 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.46 1b21 n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1b21 n SER 85 N -0.90 3.79 -4.67 0.53 3.41 -1.26 -4.97 113.62 109.56 1b21 n SER 85 Ca 0.00 -2.31 -0.38 0.00 -0.26 0.00 0.00 58.87 55.92 1b21 n SER 85 Cb 0.00 -0.43 -0.08 0.00 -0.26 0.00 0.00 64.21 63.45 1b21 n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1b21 s ASP 86 N -1.14 6.40 0.01 4.04 1.01 -1.26 -2.53 116.67 123.19 1b21 s ASP 86 Ca 0.38 0.46 -0.01 0.00 0.71 0.00 0.00 52.55 54.10 1b21 s ASP 86 Cb 0.24 -2.22 -0.01 0.00 1.01 0.00 0.00 42.92 41.94 1b21 s ASP 86 CO 0.20 -0.07 -0.00 -0.13 0.21 0.00 0.00 175.17 175.38 1b21 s ARG 87 N 1.32 0.27 -0.13 8.23 1.81 -0.35 -1.02 118.95 129.07 1b21 s ARG 87 Ca 0.18 -0.45 -0.03 0.00 -1.72 0.00 0.00 55.73 53.71 1b21 s ARG 87 Cb -0.15 0.10 -0.03 0.00 -0.45 0.00 0.00 34.95 34.42 1b21 s ARG 87 CO 0.08 -0.05 -0.04 -1.50 -0.68 0.00 0.00 175.30 173.11 1b21 s ILE 88 N -1.13 3.91 -0.16 1.52 2.07 0.13 -1.65 121.20 125.89 1b21 s ILE 88 Ca -0.12 -0.37 -0.01 0.00 -1.41 0.00 0.00 60.65 58.74 1b21 s ILE 88 Cb -0.08 -2.68 -0.01 0.00 0.13 0.00 0.00 42.46 39.82 1b21 s ILE 88 CO -0.00 0.53 -0.11 -0.76 -1.91 0.00 0.00 174.94 172.68 1b21 s LEU 89 N -0.03 2.71 -0.03 8.50 2.01 0.41 -1.22 118.68 131.01 1b21 s LEU 89 Ca 0.01 -0.38 0.02 0.00 0.01 0.00 0.00 54.13 53.79 1b21 s LEU 89 Cb -0.13 -1.63 0.01 0.00 0.01 0.00 0.00 46.19 44.45 1b21 s LEU 89 CO 0.03 0.09 -0.07 -0.72 1.01 0.00 0.00 176.35 176.69 1b21 s TYR 90 N 0.78 0.81 0.84 0.29 1.13 0.15 -0.06 117.35 121.29 1b21 s TYR 90 Ca -0.04 -0.21 -0.09 0.00 -1.41 0.00 0.00 57.07 55.32 1b21 s TYR 90 Cb -0.15 -0.63 0.18 0.00 -1.10 0.00 0.00 41.96 40.26 1b21 s TYR 90 CO 0.01 -0.13 1.14 -1.13 -2.51 0.00 0.00 175.55 172.93 1b21 n SER 91 N 3.60 0.66 0.02 -0.18 3.41 -0.84 -0.62 113.62 119.67 1b21 n SER 91 Ca -0.21 -1.76 -0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1b21 n SER 91 Cb 0.53 -0.82 0.29 0.00 -0.26 0.00 0.00 64.21 63.95 1b21 n SER 91 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1b21 h SER 92 N -1.18 0.45 -0.76 4.04 0.02 -1.75 -2.72 113.55 111.66 1b21 h SER 92 Ca -0.37 -0.10 -0.45 0.00 -0.84 0.00 0.00 61.79 60.03 1b21 h SER 92 Cb 1.17 -0.12 -0.25 0.00 0.14 0.00 0.00 62.40 63.33 1b21 h SER 92 CO 0.32 0.56 0.31 0.59 -1.14 0.00 0.00 176.83 177.47 1b21 n ASN 93 N -4.25 4.38 -3.76 3.07 3.02 -1.26 -4.95 115.26 111.51 1b21 n ASN 93 Ca 0.01 -3.73 -0.27 0.00 -0.03 0.00 0.00 54.58 50.56 1b21 n ASN 93 Cb 0.27 -0.75 0.05 0.00 -0.61 0.00 0.00 39.78 38.74 1b21 n ASN 93 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1b21 n TRP 94 N -1.04 -2.49 -2.74 3.10 7.02 -1.02 -5.00 117.44 115.27 1b21 n TRP 94 Ca 0.50 0.95 -0.41 0.00 -1.02 0.00 0.00 57.50 57.52 1b21 n TRP 94 Cb 1.16 -4.46 -0.05 0.00 -2.42 0.00 0.00 31.31 25.54 1b21 n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1b21 s LEU 95 N -7.21 4.53 -0.18 -0.99 1.02 -1.26 -4.85 118.68 109.75 1b21 s LEU 95 Ca 0.55 1.82 0.01 0.00 0.02 0.00 0.00 54.13 56.54 1b21 s LEU 95 Cb -0.26 -3.59 0.02 0.00 0.02 0.00 0.00 46.19 42.38 1b21 s LEU 95 CO 0.79 -0.01 -0.19 -0.63 0.02 0.00 0.00 176.35 176.33 1b21 s ILE 96 N -0.28 2.16 0.28 -0.59 -1.09 -0.80 -1.98 121.20 118.90 1b21 s ILE 96 Ca 0.45 -0.91 0.11 0.00 -2.23 0.00 0.00 60.65 58.07 1b21 s ILE 96 Cb -0.24 -1.91 -0.05 0.00 -1.58 0.00 0.00 42.46 38.69 1b21 s ILE 96 CO 0.30 0.53 -0.11 -0.31 -1.23 0.00 0.00 174.94 174.12 1b21 s TYR 97 N 1.23 2.45 0.02 3.97 1.51 0.91 -0.41 117.35 127.03 1b21 s TYR 97 Ca 0.03 -0.31 0.06 0.00 -1.01 0.00 0.00 57.07 55.84 1b21 s TYR 97 Cb -0.13 -1.11 -0.02 0.00 -0.11 0.00 0.00 41.96 40.58 1b21 s TYR 97 CO -0.11 0.66 -0.17 0.21 -1.11 0.00 0.00 175.55 175.04 1b21 s LYS 98 N -3.58 1.18 -0.01 -0.62 2.20 0.11 -0.45 119.74 118.56 1b21 s LYS 98 Ca 0.31 -0.75 0.03 0.00 -0.36 0.00 0.00 55.97 55.21 1b21 s LYS 98 Cb -0.05 -1.20 -0.01 0.00 -1.51 0.00 0.00 37.83 35.07 1b21 s LYS 98 CO 0.17 0.31 -0.11 -0.08 -0.36 0.00 0.00 175.35 175.29 1b21 s THR 99 N -0.67 0.86 -0.06 3.43 -1.32 -0.66 -1.11 115.64 116.12 1b21 s THR 99 Ca 0.05 -0.45 0.08 0.00 -1.21 0.00 0.00 61.69 60.16 1b21 s THR 99 Cb -0.08 -0.73 0.13 0.00 -1.51 0.00 0.00 72.50 70.31 1b21 s THR 99 CO 0.01 0.25 1.03 0.35 -2.21 0.00 0.00 174.62 174.05 1b21 n THR 100 N 2.95 1.25 -2.40 5.08 -2.24 -1.26 -1.21 114.28 116.45 1b21 n THR 100 Ca -0.15 -1.42 -0.04 0.00 -2.27 0.00 0.00 64.05 60.17 1b21 n THR 100 Cb 0.56 0.21 0.06 0.00 -2.10 0.00 0.00 70.33 69.06 1b21 n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b21 n ASP 101 N -0.84 2.26 -3.41 3.42 5.68 -1.22 -4.67 116.55 117.77 1b21 n ASP 101 Ca 0.07 -2.68 -0.20 0.00 -0.50 0.00 0.00 54.79 51.48 1b21 n ASP 101 Cb 0.46 -0.41 0.05 0.00 -1.14 0.00 0.00 41.12 40.08 1b21 n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1b21 n HIS 102 N -0.45 -2.29 -1.51 2.11 8.25 -1.05 -3.03 115.22 117.25 1b21 n HIS 102 Ca 0.17 0.73 -0.17 0.00 -0.26 0.00 0.00 57.72 58.18 1b21 n HIS 102 Cb 0.90 -3.83 -0.07 0.00 1.12 0.00 0.00 29.99 28.11 1b21 n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1b21 n TYR 103 N -3.45 0.00 -0.05 4.41 4.01 -1.26 -4.88 117.16 115.94 1b21 n TYR 103 Ca -0.08 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.54 1b21 n TYR 103 Cb 0.60 -3.12 -0.11 0.00 -0.31 0.00 0.00 39.34 36.40 1b21 n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1b21 h GLN 104 N 0.01 -0.02 -4.95 -0.72 4.20 -1.95 -3.46 115.11 108.22 1b21 h GLN 104 Ca -0.36 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.00 1b21 h GLN 104 Cb 1.23 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.79 1b21 h GLN 104 CO 0.52 0.77 -0.76 0.95 -0.67 0.00 0.00 178.83 179.64 1b21 s THR 105 N -2.51 0.83 0.15 -0.54 -4.23 -1.26 -5.10 115.64 102.97 1b21 s THR 105 Ca -0.16 -1.06 0.11 0.00 -1.18 0.00 0.00 61.69 59.39 1b21 s THR 105 Cb -0.02 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.97 1b21 s THR 105 CO 0.60 -0.21 -0.24 -0.36 -0.54 0.00 0.00 174.62 173.87 1b21 s PHE 106 N -1.13 2.20 -0.01 3.99 0.08 -1.26 -4.38 117.98 117.46 1b21 s PHE 106 Ca -0.04 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.64 1b21 s PHE 106 Cb -0.09 -1.15 0.00 0.00 -0.57 0.00 0.00 43.02 41.21 1b21 s PHE 106 CO 0.01 0.37 -0.05 0.95 -0.10 0.00 0.00 175.22 176.40 1b21 s THR 107 N -1.36 0.47 0.23 0.64 -4.23 -0.26 -4.94 115.64 106.19 1b21 s THR 107 Ca 0.15 -0.22 -0.30 0.00 -1.18 0.00 0.00 61.69 60.15 1b21 s THR 107 Cb -0.09 -0.42 -0.10 0.00 1.34 0.00 0.00 72.50 73.24 1b21 s THR 107 CO 0.07 0.15 1.40 -0.75 -0.54 0.00 0.00 174.62 174.95 1b21 s LYS 108 N 0.09 4.31 -0.00 3.99 2.20 -1.26 0.05 119.74 129.12 1b21 s LYS 108 Ca -0.01 2.21 0.01 0.00 -0.36 0.00 0.00 55.97 57.83 1b21 s LYS 108 Cb -0.05 -3.14 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 1b21 s LYS 108 CO -0.00 -0.37 0.03 0.44 -0.36 0.00 0.00 175.35 175.09 1b21 n ILE 109 N 2.51 0.00 -1.62 5.43 -5.35 0.45 -4.88 119.36 115.91 1b21 n ILE 109 Ca 0.07 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1b21 n ILE 109 Cb 0.41 0.77 0.00 0.00 -1.74 0.00 0.00 39.64 39.08 1b21 n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33