#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gou s VAL 2 N 0.00 4.47 -0.35 0.00 -7.23 -1.26 -4.92 120.40 111.11 1gou s VAL 2 Ca 0.00 1.92 -0.07 0.00 -1.81 0.00 0.00 61.98 62.02 1gou s VAL 2 Cb 0.00 -4.23 0.04 0.00 0.56 0.00 0.00 36.38 32.75 1gou s VAL 2 CO 0.00 0.23 0.13 -0.63 -0.31 0.00 0.00 175.10 174.52 1gou s ILE 3 N 0.46 3.92 0.00 -0.62 1.01 -1.26 -4.93 121.20 119.77 1gou s ILE 3 Ca 0.51 -1.13 0.01 0.00 0.00 0.00 0.00 60.65 60.03 1gou s ILE 3 Cb -0.24 -3.24 0.01 0.00 0.01 0.00 0.00 42.46 39.00 1gou s ILE 3 CO 0.30 -0.22 0.91 -0.46 0.00 0.00 0.00 174.94 175.47 1gou n ASN 4 N 4.84 0.02 -4.97 3.58 6.94 -1.26 -4.78 115.26 119.64 1gou n ASN 4 Ca -0.12 -1.81 -0.21 0.00 -0.02 0.00 0.00 54.58 52.42 1gou n ASN 4 Cb 0.45 -0.16 -0.01 0.00 -2.36 0.00 0.00 39.78 37.70 1gou n ASN 4 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1gou s THR 5 N 0.00 4.46 0.10 5.53 -4.23 -1.26 -0.61 115.64 119.63 1gou s THR 5 Ca 0.01 -0.82 -0.24 0.00 -1.18 0.00 0.00 61.69 59.46 1gou s THR 5 Cb 0.01 -3.59 -0.13 0.00 1.34 0.00 0.00 72.50 70.14 1gou s THR 5 CO -0.01 -0.29 1.71 -0.26 -0.54 0.00 0.00 174.62 175.24 1gou h PHE 6 N 0.83 -0.20 -0.43 3.99 -1.00 -1.99 -0.77 116.94 117.37 1gou h PHE 6 Ca -0.48 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.17 1gou h PHE 6 Cb 1.24 0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.87 1gou h PHE 6 CO 0.45 -0.12 -0.27 -0.44 -1.61 0.00 0.00 178.31 176.32 1gou h ASP 7 N -0.17 0.97 -0.27 2.17 3.45 -1.98 -1.65 116.42 118.94 1gou h ASP 7 Ca 0.01 -0.42 -0.03 0.00 0.43 0.00 0.00 57.03 57.02 1gou h ASP 7 Cb 0.17 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 1gou h ASP 7 CO -0.03 1.19 0.07 1.23 -1.57 0.00 0.00 179.24 180.12 1gou h GLY 8 N 0.76 0.47 0.97 2.75 0.00 -1.92 -0.67 103.07 105.44 1gou h GLY 8 Ca 0.09 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 1gou h GLY 8 CO 0.07 0.27 -0.28 -2.08 0.00 0.00 0.00 176.54 174.53 1gou h VAL 9 N 0.27 1.30 -0.35 4.60 2.07 -1.19 -1.17 116.25 121.77 1gou h VAL 9 Ca 0.09 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.19 1gou h VAL 9 Cb 0.29 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1gou h VAL 9 CO 0.00 0.46 0.16 0.00 0.02 0.00 0.00 177.57 178.21 1gou h ALA 10 N 0.72 0.42 -0.36 1.67 0.00 -1.19 -0.67 119.26 119.86 1gou h ALA 10 Ca 0.05 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1gou h ALA 10 Cb 0.84 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1gou h ALA 10 CO 0.07 -0.22 -0.24 -0.44 0.00 0.00 0.00 179.25 178.43 1gou h ASP 11 N 0.33 0.72 -0.38 0.00 3.32 -1.08 -2.39 116.42 116.94 1gou h ASP 11 Ca 0.15 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1gou h ASP 11 Cb 0.08 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1gou h ASP 11 CO -0.12 0.93 0.15 0.22 -1.72 0.00 0.00 179.24 178.70 1gou h TYR 12 N 0.62 0.58 -0.61 4.55 3.20 -0.89 -2.02 116.97 122.40 1gou h TYR 12 Ca 0.09 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1gou h TYR 12 Cb 0.73 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.78 1gou h TYR 12 CO 0.03 0.53 0.34 -0.07 -1.64 0.00 0.00 178.16 177.35 1gou h LEU 13 N 0.47 0.52 -0.46 2.82 3.38 -0.88 0.42 115.31 121.57 1gou h LEU 13 Ca 0.13 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 1gou h LEU 13 Cb 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1gou h LEU 13 CO -0.01 0.35 -0.20 0.40 0.09 0.00 0.00 178.44 179.07 1gou h ILE 14 N 0.65 1.27 0.02 1.22 2.04 -1.37 0.17 117.51 121.51 1gou h ILE 14 Ca 0.26 -1.35 -0.21 0.00 1.00 0.00 0.00 64.86 64.56 1gou h ILE 14 Cb 0.12 1.16 0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1gou h ILE 14 CO -0.15 0.47 -0.82 -0.09 0.00 0.00 0.00 178.15 177.56 1gou h ARG 15 N 0.80 0.52 0.00 2.37 2.43 -1.07 -3.38 114.38 116.05 1gou h ARG 15 Ca 0.11 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1gou h ARG 15 Cb 0.77 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1gou h ARG 15 CO 0.06 1.21 -0.63 0.66 -1.51 0.00 0.00 179.97 179.77 1gou n TYR 16 N -4.06 0.00 -2.05 2.20 4.01 0.11 -5.00 117.16 112.38 1gou n TYR 16 Ca -0.11 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.43 1gou n TYR 16 Cb 0.78 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.76 1gou n TYR 16 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1gou n LYS 17 N -1.32 -1.50 -3.77 -0.72 4.76 0.59 -4.95 118.16 111.26 1gou n LYS 17 Ca 0.02 1.06 -0.09 0.00 -2.87 0.00 0.00 58.31 56.43 1gou n LYS 17 Cb 0.20 -5.55 -0.04 0.00 -1.84 0.00 0.00 35.03 27.80 1gou n LYS 17 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1gou s ARG 18 N -4.45 1.38 0.63 1.97 1.70 -1.26 -5.06 118.95 113.86 1gou s ARG 18 Ca 0.00 -0.91 -0.15 0.00 -0.47 0.00 0.00 55.73 54.20 1gou s ARG 18 Cb 0.00 0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 34.87 1gou s ARG 18 CO 0.00 -0.58 1.09 -0.51 -1.08 0.00 0.00 175.30 174.22 1gou s LEU 19 N -2.89 3.45 0.99 -1.89 1.43 -1.26 -4.15 118.68 114.36 1gou s LEU 19 Ca 0.10 1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 55.03 1gou s LEU 19 Cb -0.01 -4.55 0.15 0.00 0.03 0.00 0.00 46.19 41.82 1gou s LEU 19 CO -0.02 -1.43 0.91 -2.65 0.23 0.00 0.00 176.35 173.39 1gou n PRO 20 N -2.21 -0.89 0.05 1.29 -0.02 -1.26 -4.90 135.00 127.06 1gou n PRO 20 Ca 0.10 -0.21 0.09 0.00 -2.02 0.00 0.00 63.50 61.46 1gou n PRO 20 Cb 0.52 -2.19 0.38 0.00 -0.02 0.00 0.00 33.50 32.18 1gou n PRO 20 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1gou n ASN 21 N -3.66 0.24 -0.01 2.55 3.02 -1.26 -2.41 115.26 113.72 1gou n ASN 21 Ca 0.09 0.56 0.13 0.00 -0.03 0.00 0.00 54.58 55.32 1gou n ASN 21 Cb 0.53 -0.61 0.74 0.00 -0.61 0.00 0.00 39.78 39.84 1gou n ASN 21 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1gou n ASP 22 N -1.76 0.04 -4.84 6.41 5.75 -1.26 -4.81 116.55 116.08 1gou n ASP 22 Ca 0.03 -1.22 -0.37 0.00 -0.01 0.00 0.00 54.79 53.23 1gou n ASP 22 Cb 0.19 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.22 1gou n ASP 22 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1gou s TYR 23 N -2.00 3.56 0.09 2.11 1.51 -1.01 -0.83 117.35 120.78 1gou s TYR 23 Ca 0.38 0.50 0.05 0.00 -1.01 0.00 0.00 57.07 56.99 1gou s TYR 23 Cb 0.17 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1gou s TYR 23 CO 0.29 0.63 -0.13 0.96 -1.11 0.00 0.00 175.55 176.20 1gou s ILE 24 N -0.70 1.09 0.78 2.71 -4.36 -0.52 -4.90 121.20 115.31 1gou s ILE 24 Ca 0.14 -1.48 -0.12 0.00 -0.26 0.00 0.00 60.65 58.93 1gou s ILE 24 Cb -0.12 -1.24 0.06 0.00 1.25 0.00 0.00 42.46 42.42 1gou s ILE 24 CO 0.03 -0.37 1.12 0.42 0.24 0.00 0.00 174.94 176.38 1gou s THR 25 N -1.80 2.80 0.26 8.37 -4.23 -1.20 -1.03 115.64 118.81 1gou s THR 25 Ca 0.02 0.26 -0.03 0.00 -1.18 0.00 0.00 61.69 60.76 1gou s THR 25 Cb -0.07 -3.16 0.26 0.00 1.34 0.00 0.00 72.50 70.88 1gou s THR 25 CO 0.02 -0.34 1.88 0.11 -0.54 0.00 0.00 174.62 175.74 1gou h LYS 26 N -0.98 1.11 -0.49 3.99 1.57 -1.97 -0.63 116.57 119.17 1gou h LYS 26 Ca -0.47 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.13 1gou h LYS 26 Cb 1.29 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1gou h LYS 26 CO 0.63 0.73 -0.15 0.77 -0.57 0.00 0.00 179.45 180.87 1gou h SER 27 N 1.14 0.94 -0.74 0.86 0.02 -1.99 0.07 113.55 113.86 1gou h SER 27 Ca 0.43 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1gou h SER 27 Cb 0.18 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1gou h SER 27 CO -0.18 1.08 0.23 1.56 -1.14 0.00 0.00 176.83 178.38 1gou h GLN 28 N 0.82 1.15 -0.32 3.45 4.20 -1.80 -1.10 115.11 121.50 1gou h GLN 28 Ca 0.12 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.47 1gou h GLN 28 Cb 0.69 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1gou h GLN 28 CO 0.05 0.98 -0.23 0.00 -0.67 0.00 0.00 178.83 178.96 1gou h ALA 29 N 1.12 0.46 -0.98 3.87 0.00 -0.80 -3.12 119.26 119.81 1gou h ALA 29 Ca 0.24 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1gou h ALA 29 Cb 0.31 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1gou h ALA 29 CO -0.01 0.44 0.64 0.77 0.00 0.00 0.00 179.25 181.09 1gou h SER 30 N 0.49 1.10 0.13 0.00 0.02 -0.88 -0.87 113.55 113.54 1gou h SER 30 Ca 0.06 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1gou h SER 30 Cb 0.79 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 1gou h SER 30 CO 0.06 0.78 -0.03 0.00 -1.14 0.00 0.00 176.83 176.50 1gou h ALA 31 N 1.41 1.31 -0.02 3.77 0.00 -1.14 -1.86 119.26 122.74 1gou h ALA 31 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1gou h ALA 31 Cb -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1gou h ALA 31 CO -0.09 0.04 -0.17 1.28 0.00 0.00 0.00 179.25 180.30 1gou n LEU 32 N -3.57 1.84 0.00 0.00 4.77 -0.41 -4.94 117.00 114.69 1gou n LEU 32 Ca -0.03 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1gou n LEU 32 Cb 0.13 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1gou n LEU 32 CO 0.26 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1gou n GLY 33 N 1.31 1.10 3.74 -0.72 0.00 -0.70 -4.88 105.19 105.05 1gou n GLY 33 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1gou n GLY 33 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1gou s TRP 34 N -2.00 2.93 -0.09 1.61 -0.00 -0.73 -4.98 118.94 115.68 1gou s TRP 34 Ca 0.00 0.88 -0.01 0.00 -0.00 0.00 0.00 56.10 56.97 1gou s TRP 34 Cb 0.00 -3.93 0.03 0.00 -0.00 0.00 0.00 33.47 29.57 1gou s TRP 34 CO 0.00 -3.12 -0.03 0.08 -0.00 0.00 0.00 176.95 173.88 1gou s VAL 35 N 0.17 0.64 0.22 5.86 1.01 -1.26 -4.40 120.40 122.64 1gou s VAL 35 Ca 0.62 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.48 1gou s VAL 35 Cb -0.44 -0.75 0.18 0.00 0.00 0.00 0.00 36.38 35.37 1gou s VAL 35 CO 0.43 0.30 1.74 0.00 0.00 0.00 0.00 175.10 177.57 1gou h ALA 36 N 8.27 0.90 0.00 5.51 0.00 -2.00 -1.03 119.26 130.90 1gou h ALA 36 Ca -0.24 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1gou h ALA 36 Cb 1.13 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1gou h ALA 36 CO 0.32 -0.20 0.00 0.66 0.00 0.00 0.00 179.25 180.03 1gou h SER 37 N 0.42 0.00 1.16 0.00 4.64 -2.03 -2.43 113.55 115.32 1gou h SER 37 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1gou h SER 37 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1gou h SER 37 CO -0.35 0.00 -0.49 0.11 -0.87 0.00 0.00 176.83 175.23 1gou h LYS 38 N 0.00 0.00 -6.34 4.77 1.57 -1.62 -3.48 116.57 111.47 1gou h LYS 38 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1gou h LYS 38 Cb 0.23 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.46 1gou h LYS 38 CO 0.00 0.00 -0.76 0.41 -0.57 0.00 0.00 179.45 178.53 1gou n GLY 39 N 1.27 -0.49 1.34 3.86 0.00 -0.92 -4.90 105.19 105.36 1gou n GLY 39 Ca 0.03 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.30 1gou n GLY 39 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gou n ASP 40 N -2.77 4.63 -0.20 1.61 5.75 -1.26 -4.05 116.55 120.27 1gou n ASP 40 Ca 0.05 -3.02 -0.02 0.00 -0.01 0.00 0.00 54.79 51.79 1gou n ASP 40 Cb 0.52 -0.61 0.08 0.00 -1.03 0.00 0.00 41.12 40.08 1gou n ASP 40 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1gou h LEU 41 N 2.67 0.37 -1.23 -2.12 5.85 -1.89 -1.93 115.31 117.03 1gou h LEU 41 Ca 0.02 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1gou h LEU 41 Cb 1.71 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.72 1gou h LEU 41 CO 0.36 0.24 0.00 0.00 -0.34 0.00 0.00 178.44 178.70 1gou h ALA 42 N 1.34 1.00 0.15 1.25 0.00 -1.85 0.13 119.26 121.28 1gou h ALA 42 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.91 1gou h ALA 42 Cb 0.23 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.05 1gou h ALA 42 CO -0.21 0.00 -1.17 0.93 0.00 0.00 0.00 179.25 178.80 1gou h GLU 43 N 0.00 0.53 0.00 0.00 5.08 -1.72 -3.10 114.58 115.38 1gou h GLU 43 Ca 0.00 -0.77 -0.13 0.00 -1.00 0.00 0.00 59.36 57.46 1gou h GLU 43 Cb 0.52 0.27 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1gou h GLU 43 CO 0.00 1.35 -1.09 -0.39 -1.00 0.00 0.00 179.01 177.88 1gou h VAL 44 N 0.09 0.52 -1.74 3.13 -1.51 -1.21 -3.41 116.25 112.12 1gou h VAL 44 Ca -0.19 -1.91 -0.51 0.00 -1.23 0.00 0.00 66.70 62.86 1gou h VAL 44 Cb 1.88 2.07 -0.36 0.00 -2.13 0.00 0.00 31.29 32.75 1gou h VAL 44 CO 0.22 0.30 -1.03 0.00 -1.23 0.00 0.00 177.57 175.83 1gou n ALA 45 N -2.32 1.91 -1.66 5.19 0.00 0.44 -4.98 120.51 119.09 1gou n ALA 45 Ca -0.05 -3.14 -0.45 0.00 0.00 0.00 0.00 53.44 49.79 1gou n ALA 45 Cb 0.77 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 1gou n ALA 45 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1gou n PRO 46 N 1.38 1.93 -0.82 0.00 -0.01 -1.17 -1.74 135.00 134.57 1gou n PRO 46 Ca 0.20 0.69 0.00 0.00 -0.01 0.00 0.00 63.50 64.37 1gou n PRO 46 Cb 0.55 -2.33 0.00 0.00 -0.01 0.00 0.00 33.50 31.71 1gou n PRO 46 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1gou n GLY 47 N 2.19 1.31 3.92 -1.23 0.00 -1.26 -5.02 105.19 105.10 1gou n GLY 47 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1gou n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gou s LYS 48 N -0.02 3.49 0.16 1.61 -0.14 -0.71 -4.83 119.74 119.30 1gou s LYS 48 Ca 0.00 -0.39 0.09 0.00 -1.36 0.00 0.00 55.97 54.31 1gou s LYS 48 Cb 0.00 -2.94 -0.04 0.00 -1.68 0.00 0.00 37.83 33.17 1gou s LYS 48 CO 0.00 0.51 -0.21 -1.12 -0.76 0.00 0.00 175.35 173.77 1gou s SER 49 N -2.84 2.91 0.05 2.83 0.01 -0.01 -4.81 113.70 111.84 1gou s SER 49 Ca 0.37 -0.83 -0.31 0.00 1.31 0.00 0.00 55.95 56.49 1gou s SER 49 Cb -0.12 -0.19 -0.05 0.00 0.21 0.00 0.00 66.02 65.87 1gou s SER 49 CO 0.28 0.04 1.21 -0.63 0.41 0.00 0.00 173.24 174.55 1gou s ILE 50 N -1.75 4.02 -0.18 1.44 -1.09 -1.26 -1.43 121.20 120.96 1gou s ILE 50 Ca 0.16 1.44 -0.33 0.00 -2.23 0.00 0.00 60.65 59.69 1gou s ILE 50 Cb -0.07 -3.93 0.14 0.00 -1.58 0.00 0.00 42.46 37.02 1gou s ILE 50 CO 0.07 0.10 1.17 -0.83 -1.23 0.00 0.00 174.94 174.21 1gou s GLY 51 N 1.14 -0.26 0.00 6.18 0.00 -0.19 -0.73 107.32 113.46 1gou s GLY 51 Ca 0.59 1.76 0.00 0.00 0.00 0.00 0.00 44.72 47.06 1gou s GLY 51 CO 0.28 0.65 0.00 0.61 0.00 0.00 0.00 173.10 174.65 1gou n GLY 52 N 0.08 0.60 3.81 0.20 0.00 0.74 -3.22 105.19 107.40 1gou n GLY 52 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1gou n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gou s ASP 53 N -1.99 6.14 0.24 1.61 1.01 -1.24 -4.75 116.67 117.68 1gou s ASP 53 Ca 0.00 1.80 -0.30 0.00 0.71 0.00 0.00 52.55 54.76 1gou s ASP 53 Cb 0.00 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.30 1gou s ASP 53 CO 0.00 -0.92 1.25 -0.69 0.21 0.00 0.00 175.17 175.02 1gou s VAL 54 N -2.35 3.24 -0.27 -1.27 1.01 -1.26 -1.53 120.40 117.97 1gou s VAL 54 Ca 0.64 1.10 -0.08 0.00 0.00 0.00 0.00 61.98 63.63 1gou s VAL 54 Cb -0.15 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1gou s VAL 54 CO 0.30 0.20 0.09 0.12 0.00 0.00 0.00 175.10 175.82 1gou s PHE 55 N -0.38 3.12 0.37 5.22 5.36 -0.12 -4.84 117.98 126.71 1gou s PHE 55 Ca 0.52 -0.52 0.07 0.00 -0.96 0.00 0.00 56.93 56.05 1gou s PHE 55 Cb -0.36 -2.27 0.74 0.00 -0.34 0.00 0.00 43.02 40.79 1gou s PHE 55 CO 0.41 -0.41 1.92 0.66 -1.46 0.00 0.00 175.22 176.35 1gou h SER 56 N 8.27 0.35 -4.26 6.13 4.64 -1.95 -3.38 113.55 123.35 1gou h SER 56 Ca -0.36 -0.06 -0.39 0.00 -0.47 0.00 0.00 61.79 60.51 1gou h SER 56 Cb 1.16 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 63.17 1gou h SER 56 CO 0.59 0.43 -0.56 -3.20 -0.87 0.00 0.00 176.83 173.23 1gou n ASN 57 N -4.31 -5.49 0.27 4.97 5.15 -1.26 -4.91 115.26 109.69 1gou n ASN 57 Ca 0.00 -0.20 0.15 0.00 -0.60 0.00 0.00 54.58 53.94 1gou n ASN 57 Cb 0.23 -4.49 0.77 0.00 -0.53 0.00 0.00 39.78 35.75 1gou n ASN 57 CO 0.00 0.00 0.00 0.08 1.40 0.00 0.00 177.26 178.74 1gou h ARG 58 N -0.89 0.00 0.00 1.20 0.11 -2.00 -1.63 114.38 111.18 1gou h ARG 58 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1gou h ARG 58 Cb 1.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.42 1gou h ARG 58 CO 0.55 0.08 0.00 0.39 0.10 0.00 0.00 179.97 181.09 1gou n GLU 59 N -3.37 0.13 -1.49 0.08 4.71 -1.26 -4.94 120.64 114.50 1gou n GLU 59 Ca -0.01 0.12 -0.12 0.00 -0.01 0.00 0.00 57.16 57.14 1gou n GLU 59 Cb 0.25 -1.65 -0.04 0.00 -1.01 0.00 0.00 31.44 28.99 1gou n GLU 59 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1gou n GLY 60 N 1.30 1.07 0.19 0.62 0.00 -0.61 -4.91 105.19 102.85 1gou n GLY 60 Ca 0.06 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.75 1gou n GLY 60 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gou h ARG 61 N 0.00 0.00 -6.20 1.61 3.08 -1.92 -3.44 114.38 107.52 1gou h ARG 61 Ca -0.25 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.15 1gou h ARG 61 Cb 0.85 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.79 1gou h ARG 61 CO 0.35 0.00 -0.62 -0.51 -1.07 0.00 0.00 179.97 178.13 1gou s LEU 62 N -5.60 3.70 0.23 3.04 1.43 -1.26 -4.96 118.68 115.26 1gou s LEU 62 Ca 0.07 -0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 1gou s LEU 62 Cb 0.08 -2.33 -0.09 0.00 0.03 0.00 0.00 46.19 43.88 1gou s LEU 62 CO 0.61 0.20 1.36 -2.16 0.23 0.00 0.00 176.35 176.58 1gou s PRO 63 N -2.18 4.34 0.28 1.29 0.04 -1.26 -5.01 135.00 132.50 1gou s PRO 63 Ca 0.26 2.17 0.06 0.00 0.04 0.00 0.00 61.00 63.53 1gou s PRO 63 Cb -0.12 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 1gou s PRO 63 CO 0.19 -0.30 0.35 -1.54 0.04 0.00 0.00 177.00 175.74 1gou s SER 64 N 0.24 5.93 -0.16 6.66 1.04 -1.26 -5.10 113.70 121.04 1gou s SER 64 Ca 0.57 -0.14 -0.34 0.00 0.48 0.00 0.00 55.95 56.51 1gou s SER 64 Cb -0.39 -1.46 0.13 0.00 0.10 0.00 0.00 66.02 64.40 1gou s SER 64 CO 0.42 -0.21 1.15 0.00 0.98 0.00 0.00 173.24 175.58 1gou s ALA 65 N -2.11 -2.03 -0.12 5.32 0.00 -1.26 -5.06 121.76 116.50 1gou s ALA 65 Ca 0.38 1.50 -0.18 0.00 0.00 0.00 0.00 51.96 53.65 1gou s ALA 65 Cb -0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1gou s ALA 65 CO 0.29 -0.61 0.49 0.20 0.00 0.00 0.00 175.76 176.12 1gou s GLY 66 N -2.23 2.39 -0.67 0.00 0.00 -1.26 -0.09 107.32 105.45 1gou s GLY 66 Ca 0.09 -0.19 -0.26 0.00 0.00 0.00 0.00 44.72 44.36 1gou s GLY 66 CO -0.05 0.80 1.84 -0.45 0.00 0.00 0.00 173.10 175.23 1gou s SER 67 N 0.65 5.31 -0.23 1.64 0.15 -1.26 -5.08 113.70 114.88 1gou s SER 67 Ca 0.26 0.11 -0.11 0.00 0.70 0.00 0.00 55.95 56.91 1gou s SER 67 Cb -0.15 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.57 1gou s SER 67 CO 0.10 -2.40 0.20 -0.60 1.20 0.00 0.00 173.24 171.75 1gou s ARG 68 N 6.94 4.09 0.06 5.44 3.52 0.87 -4.97 118.95 134.89 1gou s ARG 68 Ca 0.66 -0.19 0.03 0.00 -0.13 0.00 0.00 55.73 56.10 1gou s ARG 68 Cb -0.11 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 1gou s ARG 68 CO 0.17 0.04 0.04 0.99 -0.81 0.00 0.00 175.30 175.72 1gou s THR 69 N 1.12 4.30 -0.00 4.11 2.01 -1.26 -4.68 115.64 121.24 1gou s THR 69 Ca 0.09 -0.77 0.07 0.00 0.31 0.00 0.00 61.69 61.40 1gou s THR 69 Cb -0.14 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.32 1gou s THR 69 CO 0.05 0.20 -0.21 0.26 -0.69 0.00 0.00 174.62 174.23 1gou s TRP 70 N -1.28 2.48 0.24 4.92 0.52 -1.26 -1.15 118.94 123.40 1gou s TRP 70 Ca 0.25 -0.32 0.06 0.00 0.02 0.00 0.00 56.10 56.11 1gou s TRP 70 Cb -0.12 -1.50 -0.05 0.00 -1.15 0.00 0.00 33.47 30.65 1gou s TRP 70 CO 0.17 0.12 -0.06 1.03 0.02 0.00 0.00 176.95 178.24 1gou s ARG 71 N -0.96 1.39 0.21 4.98 0.52 -0.18 -0.95 118.95 123.97 1gou s ARG 71 Ca 0.12 -1.68 0.04 0.00 -0.52 0.00 0.00 55.73 53.69 1gou s ARG 71 Cb -0.10 -0.92 -0.05 0.00 0.52 0.00 0.00 34.95 34.39 1gou s ARG 71 CO 0.02 0.03 -0.04 -1.83 0.02 0.00 0.00 175.30 173.49 1gou s GLU 72 N -3.76 1.29 -0.17 3.54 -1.05 -0.58 -0.39 118.70 117.59 1gou s GLU 72 Ca 0.27 -1.63 -0.15 0.00 -0.15 0.00 0.00 54.97 53.30 1gou s GLU 72 Cb 0.03 -0.71 0.04 0.00 -0.44 0.00 0.00 34.13 33.06 1gou s GLU 72 CO 0.09 -0.02 0.44 0.00 0.95 0.00 0.00 175.26 176.71 1gou s ALA 73 N -3.33 -1.09 0.35 -0.84 0.00 -0.03 -0.18 121.76 116.64 1gou s ALA 73 Ca 0.25 1.25 -0.26 0.00 0.00 0.00 0.00 51.96 53.20 1gou s ALA 73 Cb 0.04 -0.72 -0.09 0.00 0.00 0.00 0.00 23.12 22.35 1gou s ALA 73 CO 0.07 -0.21 1.07 -0.51 0.00 0.00 0.00 175.76 176.18 1gou s ASP 74 N 0.25 6.97 0.05 0.00 1.11 0.09 -0.84 116.67 124.30 1gou s ASP 74 Ca -0.00 2.14 0.08 0.00 0.18 0.00 0.00 52.55 54.95 1gou s ASP 74 Cb -0.03 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 1gou s ASP 74 CO 0.00 -0.35 -0.23 -0.63 1.18 0.00 0.00 175.17 175.14 1gou s ILE 75 N -1.44 1.89 -0.79 0.77 -1.09 -0.80 -4.73 121.20 115.01 1gou s ILE 75 Ca 0.52 -1.33 0.00 0.00 -2.23 0.00 0.00 60.65 57.61 1gou s ILE 75 Cb -0.26 -1.64 0.00 0.00 -1.58 0.00 0.00 42.46 38.98 1gou s ILE 75 CO 0.33 0.24 0.00 0.59 -1.23 0.00 0.00 174.94 174.87 1gou n ASN 76 N 1.70 -4.70 -4.74 3.58 3.02 0.22 -4.55 115.26 109.80 1gou n ASN 76 Ca -0.17 0.18 -0.40 0.00 -0.03 0.00 0.00 54.58 54.16 1gou n ASN 76 Cb 0.53 -2.86 -0.05 0.00 -0.61 0.00 0.00 39.78 36.79 1gou n ASN 76 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1gou s TYR 77 N -2.01 3.75 0.08 3.10 5.04 -1.26 -4.92 117.35 121.13 1gou s TYR 77 Ca 0.00 1.57 0.00 0.00 -2.44 0.00 0.00 57.07 56.20 1gou s TYR 77 Cb 0.00 -2.90 0.00 0.00 0.35 0.00 0.00 41.96 39.41 1gou s TYR 77 CO 0.00 0.23 0.00 0.28 -1.34 0.00 0.00 175.55 174.72 1gou n VAL 78 N 2.89 0.70 -3.65 3.14 0.31 -1.26 -4.91 118.33 115.56 1gou n VAL 78 Ca -0.01 0.23 -0.08 0.00 -0.01 0.00 0.00 64.34 64.48 1gou n VAL 78 Cb 0.50 -1.42 -0.02 0.00 -0.91 0.00 0.00 33.84 32.00 1gou n VAL 78 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1gou s SER 79 N -5.57 -0.35 0.00 4.52 1.04 -1.26 -4.78 113.70 107.30 1gou s SER 79 Ca 0.00 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1gou s SER 79 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1gou s SER 79 CO 0.00 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1gou n GLY 80 N -0.40 -0.89 3.77 7.32 0.00 -1.26 -4.91 105.19 108.82 1gou n GLY 80 Ca -0.09 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 1gou n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gou s PHE 81 N 0.00 2.67 0.50 1.61 0.40 -1.26 -4.51 117.98 117.39 1gou s PHE 81 Ca 0.00 1.54 -0.22 0.00 -0.60 0.00 0.00 56.93 57.65 1gou s PHE 81 Cb 0.00 -3.15 -0.06 0.00 0.51 0.00 0.00 43.02 40.31 1gou s PHE 81 CO 0.00 -1.61 1.22 1.03 0.70 0.00 0.00 175.22 176.56 1gou s ARG 82 N -4.06 3.50 0.00 0.44 0.52 -1.26 -5.01 118.95 113.08 1gou s ARG 82 Ca 0.67 1.89 0.00 0.00 -0.52 0.00 0.00 55.73 57.77 1gou s ARG 82 Cb -0.20 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 32.97 1gou s ARG 82 CO 0.40 -0.80 0.00 0.27 0.02 0.00 0.00 175.30 175.20 1gou n ASN 83 N -0.78 0.00 -1.07 0.23 0.23 -1.26 -5.05 115.26 107.57 1gou n ASN 83 Ca 0.09 -0.71 0.12 0.00 -0.53 0.00 0.00 54.58 53.55 1gou n ASN 83 Cb 0.48 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.40 1gou n ASN 83 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1gou n ALA 84 N -3.00 2.44 -2.73 -2.53 0.00 -1.26 -4.96 120.51 108.46 1gou n ALA 84 Ca 0.00 -0.91 -0.35 0.00 0.00 0.00 0.00 53.44 52.17 1gou n ALA 84 Cb 0.00 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.46 1gou n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gou s ASP 85 N -1.54 6.08 -0.01 0.00 1.01 -1.26 -1.92 116.67 119.03 1gou s ASP 85 Ca 0.37 0.17 -0.04 0.00 0.71 0.00 0.00 52.55 53.77 1gou s ASP 85 Cb 0.22 -2.07 -0.00 0.00 1.01 0.00 0.00 42.92 42.08 1gou s ASP 85 CO 0.31 0.15 0.07 -0.13 0.21 0.00 0.00 175.17 175.78 1gou s ARG 86 N 0.53 0.30 -0.13 8.23 1.81 -0.35 -1.90 118.95 127.44 1gou s ARG 86 Ca 0.07 -0.28 -0.04 0.00 -1.72 0.00 0.00 55.73 53.76 1gou s ARG 86 Cb -0.12 0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.47 1gou s ARG 86 CO -0.00 -0.06 0.02 -1.17 -0.68 0.00 0.00 175.30 173.40 1gou s LEU 87 N -0.91 3.61 -0.10 2.53 2.96 -0.02 -1.25 118.68 125.50 1gou s LEU 87 Ca -0.10 0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1gou s LEU 87 Cb -0.06 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.78 1gou s LEU 87 CO 0.00 0.28 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.43 1gou s VAL 88 N -0.26 1.72 -0.00 1.68 1.01 0.30 -0.85 120.40 123.99 1gou s VAL 88 Ca 0.06 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1gou s VAL 88 Cb -0.12 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 1gou s VAL 88 CO 0.02 0.48 -0.10 -0.72 0.00 0.00 0.00 175.10 174.79 1gou s TYR 89 N 0.68 0.87 0.38 5.22 -0.85 0.48 -0.90 117.35 123.23 1gou s TYR 89 Ca -0.12 -0.19 0.03 0.00 -0.52 0.00 0.00 57.07 56.27 1gou s TYR 89 Cb -0.16 -0.56 -0.01 0.00 0.38 0.00 0.00 41.96 41.61 1gou s TYR 89 CO 0.03 -0.01 0.56 -1.54 -1.52 0.00 0.00 175.55 173.07 1gou s SER 90 N -0.34 5.95 0.56 -0.18 1.04 -0.19 -1.01 113.70 119.53 1gou s SER 90 Ca 0.03 0.10 0.33 0.00 0.48 0.00 0.00 55.95 56.89 1gou s SER 90 Cb -0.04 -1.47 1.66 0.00 0.10 0.00 0.00 66.02 66.26 1gou s SER 90 CO -0.00 -0.52 2.12 0.77 0.98 0.00 0.00 173.24 176.59 1gou h SER 91 N 0.67 0.00 -0.71 7.02 4.64 -1.48 -1.47 113.55 122.22 1gou h SER 91 Ca -0.47 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.68 1gou h SER 91 Cb 1.25 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.24 1gou h SER 91 CO 0.56 0.06 0.22 -0.90 -0.87 0.00 0.00 176.83 175.90 1gou n ASP 92 N -3.37 5.03 -1.18 4.97 3.85 -1.26 -4.98 116.55 119.61 1gou n ASP 92 Ca -0.01 -3.14 -0.12 0.00 -0.71 0.00 0.00 54.79 50.80 1gou n ASP 92 Cb 0.22 -0.74 -0.02 0.00 -1.35 0.00 0.00 41.12 39.23 1gou n ASP 92 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 1gou n TRP 93 N 0.03 -0.34 -2.46 2.11 7.02 -0.55 -5.02 117.44 118.23 1gou n TRP 93 Ca 0.38 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.45 1gou n TRP 93 Cb 1.35 -2.50 -0.04 0.00 -2.42 0.00 0.00 31.31 27.70 1gou n TRP 93 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1gou s LEU 94 N -3.14 4.47 -0.09 -0.99 1.43 -1.26 -4.85 118.68 114.25 1gou s LEU 94 Ca 0.00 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 1gou s LEU 94 Cb 0.00 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.64 1gou s LEU 94 CO 0.00 -0.28 -0.09 -0.63 0.23 0.00 0.00 176.35 175.59 1gou s ILE 95 N -0.21 1.01 0.17 -0.59 1.01 -1.26 -1.02 121.20 120.31 1gou s ILE 95 Ca 0.50 -0.32 0.11 0.00 0.00 0.00 0.00 60.65 60.94 1gou s ILE 95 Cb -0.31 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1gou s ILE 95 CO 0.36 0.35 -0.24 -0.31 0.00 0.00 0.00 174.94 175.10 1gou s TYR 96 N 1.37 2.21 0.11 3.97 1.51 -0.08 -0.74 117.35 125.71 1gou s TYR 96 Ca -0.01 -0.38 0.11 0.00 -1.01 0.00 0.00 57.07 55.77 1gou s TYR 96 Cb -0.14 -1.13 -0.04 0.00 -0.11 0.00 0.00 41.96 40.54 1gou s TYR 96 CO -0.04 0.41 -0.26 -1.59 -1.11 0.00 0.00 175.55 172.96 1gou s LYS 97 N -2.45 1.50 -0.00 -0.62 -2.85 0.06 -0.54 119.74 114.84 1gou s LYS 97 Ca 0.17 -1.29 0.04 0.00 -1.00 0.00 0.00 55.97 53.89 1gou s LYS 97 Cb -0.08 -1.93 -0.01 0.00 -2.06 0.00 0.00 37.83 33.74 1gou s LYS 97 CO 0.08 0.46 -0.13 -0.08 0.10 0.00 0.00 175.35 175.78 1gou s THR 98 N -1.02 1.03 -0.20 3.79 -1.32 -0.38 -0.87 115.64 116.66 1gou s THR 98 Ca 0.14 -0.62 0.06 0.00 -1.21 0.00 0.00 61.69 60.06 1gou s THR 98 Cb -0.10 -0.87 0.13 0.00 -1.51 0.00 0.00 72.50 70.16 1gou s THR 98 CO 0.06 0.24 1.10 0.35 -2.21 0.00 0.00 174.62 174.16 1gou n THR 99 N 2.64 1.22 -2.47 5.08 -2.24 -1.26 -1.21 114.28 116.03 1gou n THR 99 Ca -0.15 -1.26 -0.02 0.00 -2.27 0.00 0.00 64.05 60.36 1gou n THR 99 Cb 0.55 0.33 0.05 0.00 -2.10 0.00 0.00 70.33 69.17 1gou n THR 99 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1gou n ASP 100 N -0.47 1.92 -3.58 3.42 3.85 -1.21 -4.65 116.55 115.83 1gou n ASP 100 Ca 0.06 -2.49 -0.20 0.00 -0.71 0.00 0.00 54.79 51.45 1gou n ASP 100 Cb 0.38 -0.41 0.06 0.00 -1.35 0.00 0.00 41.12 39.81 1gou n ASP 100 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.20 177.76 1gou n HIS 101 N -0.33 -2.12 -1.00 2.11 -0.00 -0.81 -3.08 115.22 109.98 1gou n HIS 101 Ca 0.14 0.90 -0.00 0.00 -0.00 0.00 0.00 57.72 58.76 1gou n HIS 101 Cb 0.92 -4.74 -0.00 0.00 -0.00 0.00 0.00 29.99 26.18 1gou n HIS 101 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1gou n TYR 102 N -4.28 0.00 -0.04 1.57 4.01 -1.26 -4.92 117.16 112.24 1gou n TYR 102 Ca -0.26 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.34 1gou n TYR 102 Cb 0.66 -0.11 -0.09 0.00 -0.31 0.00 0.00 39.34 39.49 1gou n TYR 102 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gou h ALA 103 N 0.00 0.15 -2.97 -0.72 0.00 -1.96 -3.46 119.26 110.30 1gou h ALA 103 Ca -0.00 -0.42 -0.36 0.00 0.00 0.00 0.00 54.91 54.14 1gou h ALA 103 Cb 0.04 -0.02 -0.19 0.00 0.00 0.00 0.00 17.79 17.62 1gou h ALA 103 CO 0.00 0.16 -0.75 0.95 0.00 0.00 0.00 179.25 179.62 1gou s THR 104 N -3.78 1.02 0.06 0.00 -4.23 -1.26 -5.12 115.64 102.33 1gou s THR 104 Ca -0.14 -1.52 0.05 0.00 -1.18 0.00 0.00 61.69 58.89 1gou s THR 104 Cb 0.04 -1.25 -0.03 0.00 1.34 0.00 0.00 72.50 72.60 1gou s THR 104 CO 0.77 -0.43 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.92 1gou s PHE 105 N -2.00 1.18 -0.07 3.99 0.40 -1.26 -4.43 117.98 115.79 1gou s PHE 105 Ca 0.03 -0.43 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 1gou s PHE 105 Cb -0.06 -0.67 0.01 0.00 0.51 0.00 0.00 43.02 42.81 1gou s PHE 105 CO 0.01 0.04 -0.12 0.99 0.70 0.00 0.00 175.22 176.84 1gou s THR 106 N -1.17 1.16 0.11 0.64 2.01 -0.05 -4.95 115.64 113.39 1gou s THR 106 Ca -0.02 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 1gou s THR 106 Cb -0.09 -1.06 -0.07 0.00 0.01 0.00 0.00 72.50 71.29 1gou s THR 106 CO 0.02 0.36 1.19 -0.60 -0.69 0.00 0.00 174.62 174.90 1gou s ARG 107 N 0.69 4.46 0.00 4.92 3.52 -1.26 -0.76 118.95 130.52 1gou s ARG 107 Ca -0.14 1.80 0.00 0.00 -0.13 0.00 0.00 55.73 57.26 1gou s ARG 107 Cb -0.16 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.92 1gou s ARG 107 CO 0.04 -0.18 0.00 0.44 -0.81 0.00 0.00 175.30 174.79 1gou n ILE 108 N 3.38 0.00 -1.31 4.11 -5.35 0.08 -4.94 119.36 115.33 1gou n ILE 108 Ca 0.07 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1gou n ILE 108 Cb 0.46 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 1gou n ILE 108 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33